60 (Applications)

PRO/II
APPLICATION BRIEFS
GAS PROCESSING
REFINING
PETROCHEMICAL
CHEMICAL
SOLIDS
Technical
Assistance
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PRO/II APPLICATION BRIEFS
August 1995
Table of Contents
INTRODUCTION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . iii
INDEX OF FEATURES . . . . . . . . . . . . . . . . . . . . . . . . . . . . IF-1
GAS PROCESSING
PHASE ENVELOPE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . G1-1
DEETHANIZER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . G2-1
REFRIGERATION LOOP . . . . . . . . . . . . . . . . . . . . . . . . . . . G3-1
COMPRESSOR TRAIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . G4-1
EXPANDER PLANT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . G5-1
THREE STAGE LETDOWN . . . . . . . . . . . . . . . . . . . . . . . . . . G6-1
GAS DEHYDRATION USING TEG . . . . . . . . . . . . . . . . . . . . . . G7-1
AMINE SWEETENING PLANT . . . . . . . . . . . . . . . . . . . . . . . . G8-1
REFINING
CRUDE HEATING CURVE . . . . . . . . . . . . . . . . . . . . . . . . . . R1-1
DE-IC4 TOWER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . R2-1
CRUDE OIL DISTILLATION . . . . . . . . . . . . . . . . . . . . . . . . . . R3-1
VACUUM COLUMN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . R4-1
FCC MAIN FRACTIONATOR . . . . . . . . . . . . . . . . . . . . . . . . . R5-1
SOUR WATER STRIPPER . . . . . . . . . . . . . . . . . . . . . . . . . . R6-1
STABILIZER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . R7-1
NAPHTHA SPLITTER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . R8-1
PETROCHEMICAL
C3 SPLITTER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . P1-1
AROMATICS SEPARATION . . . . . . . . . . . . . . . . . . . . . . . . . P2-1
ETHYLENE FRACTIONATOR . . . . . . . . . . . . . . . . . . . . . . . . P3-1
CYCLOHEXANE PLANT . . . . . . . . . . . . . . . . . . . . . . . . . . . P4-1
NAPHTHALENE RECOVERY . . . . . . . . . . . . . . . . . . . . . . . . . P5-1
MTBE SEPARATION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . P6-1
PROPYLENE CHLORINATION . . . . . . . . . . . . . . . . . . . . . . . . P7-1
PRO/II APPLICATION BRIEFS TABLE OF CONTENTS - i
August 1995
CHEMICAL
DRYER COLUMN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . C1-1
AMMONIA-ACETONE-WATER SEPARATION . . . . . . . . . . . . . . . C2-1
MEK-WATER-TOLUENE . . . . . . . . . . . . . . . . . . . . . . . . . . . C3-1
AZEOTROPIC SEPARATION . . . . . . . . . . . . . . . . . . . . . . . . C4-1
PHENOL EXTRACTION . . . . . . . . . . . . . . . . . . . . . . . . . . . C5-1
DECANT COLUMN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . C6-1
SHIFT AND METHANATOR REACTORS . . . . . . . . . . . . . . . . . . C7-1
ADVANCED
CASCADE REFRIGERATION . . . . . . . . . . . . . . . . . . . . . . . . A1-1
PHENOL DISTILLATION . . . . . . . . . . . . . . . . . . . . . . . . . . . A2-1
HDS REACTOR SECTION . . . . . . . . . . . . . . . . . . . . . . . . . . A3-1
TURBO-EXPANDER GAS PLANT OPTIMIZATION . . . . . . . . . . . . . A4-1
SULFURIC ACID ALKYLATION . . . . . . . . . . . . . . . . . . . . . . . A5-1
AMMONIA SYNTHESIS . . . . . . . . . . . . . . . . . . . . . . . . . . . A6-1
SOLIDS
P-XYLENE CRYSTALLIZATION . . . . . . . . . . . . . . . . . . . . . . . S1-1
ii - TABLE OF CONTENTS PRO/II APPLICATION BRIEFS
August 1995
INTRODUCTION
This manual contains Application Briefs illustrating the use of the PRO/II Simulation
Program to solve a wide range of typical industrial mass and energy balance
problems. It is intended as a complement to the PRO/II Keyword Input Manual,
providing a reference source for detailed examples of PRO/II features and input and
output options.
For convenience, the Application Briefs are divided into six sections: Gas Process-
ing, Refining, Petrochemical, Chemical, Advanced, and Solids. The Table of Con-
tents lists the applications in each section. The Index of Features gives a
cross-reference of PRO/II features illustrated by each application.
Each application includes: a process description and flowsheet, a discussion of the
simulation model, and comments on results. The complete PRO/II input and
selected outputs are shown for each application.
Readers are reminded that the Application Briefs are only examples and should not
be used for other purposes. The user is urged to read and become familiar with the
PRO/II Keyword Input Manual available upon request from SimSci before attempt-
ing to use the program. Finally, while the applications contained herein are based
on actual cases, they may not always be typical, nor are the data used always the
most accurate.
These input files are available on a floppy disk which may be requested from your
SimSci representative.
August 1995
INDEX OF FEATURES
ASSAY ANALYSIS
API GRAVITY . . . . . . . . . . . . . . . . . . . . . . . . R1, R3, R5
D1160 DISTILLATION DATA . . . . . . . . . . . . . . . . R4
D86 DISTILLATION DATA . . . . . . . . . . . . . . . . . R1, R5
LIGHTENDS . . . . . . . . . . . . . . . . . . . . . . . . R1, R3
SPECIFIC GRAVITY . . . . . . . . . . . . . . . . . . . . R1, R4
TBP DISTILLATION DATA . . . . . . . . . . . . . . . . . R3, R5
CALCULATOR . . . . . . . . . . . . . . . . . . . . . . . A4, C5, G8
CASESTUDY . . . . . . . . . . . . . . . . . . . . . . . . A6, R6
COLUMN
ALGORITHMS
CHEMDIST . . . . . . . . . . . . . . . . . . . . . . A2, C2, C3, C6
ELDIST . . . . . . . . . . . . . . . . . . . . . . . . R6
IO . . . . . . . . . . . . . . . . . . . . . . . . . . . A4, C1, C4, C5, G2, G5, G8, P1, P2,
. . . . . . . . . . . . . . . . . . . . . . . . . . . . P3, P5, P6, R2, R4, R5, R6, R7, R8
LLEX . . . . . . . . . . . . . . . . . . . . . . . . . C5
SURE . . . . . . . . . . . . . . . . . . . . . . . . A5, P3
CONDENSERS
Bubble point condenser . . . . . . . . . . . . . . . A2, A5, C1, C2, C3, C4, C6, P1, P6,
. . . . . . . . . . . . . . . . . . . . . . . . . . . . R7, R8
Fixed temperature . . . . . . . . . . . . . . . . . . C5
Mixed phase condenser . . . . . . . . . . . . . . . R5
No condenser . . . . . . . . . . . . . . . . . . . . G5, G7, G8, R4, R6
Partial with vapor product . . . . . . . . . . . . . . A2, A4, G2,G8, P5
Subcooled total condenser . . . . . . . . . . . . . . P2, R3
DAMPING . . . . . . . . . . . . . . . . . . . . . . . . . A5, C3, G8, R3, R4, R5
FEED FLASH . . . . . . . . . . . . . . . . . . . . . . . . G2, P6
FEED HEATER ON FEED TRAY . . . . . . . . . . . . . . R3, R4, R5
INITIAL ESTIMATE MODEL
Chemical . . . . . . . . . . . . . . . . . . . . . . . C3, C6
Conventional . . . . . . . . . . . . . . . . . . . . . A2, A4, A5, C1, C2, C4, G2, G5, G7,
. . . . . . . . . . . . . . . . . . . . . . . . . . . . G8, P1, P6, R6, R7, R8
Application Brief
PRO/II APPLICATION BRIEFS INDEX OF FEATURES IF-1
August 1995
Refinery . . . . . . . . . . . . . . . . . . . . . . . . R3, R4, R5
Simple . . . . . . . . . . . . . . . . . . . . . . . . . P2, P5
LIQUID SIDE DRAW . . . . . . . . . . . . . . . . . . . . C2, R3, R4, R5, R8
MULTI-FEED . . . . . . . . . . . . . . . . . . . . . . . . A4, C4, R3, R4, R5, R8
NO REBOILER . . . . . . . . . . . . . . . . . . . . . . . G7, G8, P3, R3, R4, R5
PSEUDO STREAMS . . . . . . . . . . . . . . . . . . . . R4
PUMPAROUNDS . . . . . . . . . . . . . . . . . . . . . . P3, R3, R4, R5
SIDE HEATERS/COOLERS . . . . . . . . . . . . . . . . . P3, R3, R4, R5
SIDE STRIPPERS . . . . . . . . . . . . . . . . . . . . . . R3, R5, R8
Steam stripped . . . . . . . . . . . . . . . . . . . . P3, R3, R5, R6
Reboiled . . . . . . . . . . . . . . . . . . . . . . . . R8
SPECIFICATIONS
Component purity/recovery . . . . . . . . . . . . . . A2, C1, C3, C5, G2, G8, P1, P2, P5,
. . . . . . . . . . . . . . . . . . . . . . . . . . . . P6, R6, R8
Component ratio . . . . . . . . . . . . . . . . . . . C6, G5
Distillation point . . . . . . . . . . . . . . . . . . . . R3, R5
Overflash/runback to feed zone . . . . . . . . . . . . R3, R4
Product molal rate . . . . . . . . . . . . . . . . . . A4, C2, R7
Product volume rate . . . . . . . . . . . . . . . . . P3, R4, R5
Product weight rate . . . . . . . . . . . . . . . . . . A2, C4
Reflux (external) . . . . . . . . . . . . . . . . . . . A2, C2, C3, C4, C5, C6, G8, P6
Reflux (internal) . . . . . . . . . . . . . . . . . . . . R4
RVP . . . . . . . . . . . . . . . . . . . . . . . . . . R7
Tray temperatures . . . . . . . . . . . . . . . . . . . A5, G7, P3, R4
SPECIFICATION VARIABLES
Feed . . . . . . . . . . . . . . . . . . . . . . . . . . G8, P3, R3, R4, R5, R6, R8
Heater/cooler . . . . . . . . . . . . . . . . . . . . . A2, A5, C1, C2, C3, C4, C5, C6, G2, G5,
. . . . . . . . . . . . . . . . . . . . . . . . . . . . G7, G8, P1, P2, P5, P6, R3, R5, R7, R8
Side draw rate . . . . . . . . . . . . . . . . . . . . . P2, R4
THERMOSIPHON REBOILER . . . . . . . . . . . . . . . G2, R5
TRAY SIZING/RATING . . . . . . . . . . . . . . . . . . . C1, C4, G2, R5
VAPOR SIDE DRAW . . . . . . . . . . . . . . . . . . . . P2
WATER DECANTING . . . . . . . . . . . . . . . . . . . . P3, R3, R5
Application Brief
IF-2 INDEX OF FEATURES PRO/II APPLICATION BRIEFS
August 1995
COMPONENT PROPERTIES INPUT
CRITICAL PROPERTIES . . . . . . . . . . . . . . . . . A2, A5
LATENT HEAT . . . . . . . . . . . . . . . . . . . . . . . A2
LIQUID ENTHALPY . . . . . . . . . . . . . . . . . . . . A2
LIQUID DENSITY . . . . . . . . . . . . . . . . . . . . . A2
MOLECULAR WEIGHT . . . . . . . . . . . . . . . . . . A2
NORMAL BOILING POINT . . . . . . . . . . . . . . . . . A2
SPECIFIC GRAVITY . . . . . . . . . . . . . . . . . . . . A2
VAPOR PRESSURE . . . . . . . . . . . . . . . . . . . . A2
COMPRESSORS
AFTERCOOLER . . . . . . . . . . . . . . . . . . . . . . G4
GENERAL . . . . . . . . . . . . . . . . . . . . . . . . . A1, A3, A5, A6, G6, P4, P7
LINKED TO EXPANDER . . . . . . . . . . . . . . . . . . A4, G5
MANUFACTURERS PERFORMANCE CURVES . . . . . G3
CONTROLLERS . . . . . . . . . . . . . . . . . . . . . . A1, A3, A5, A6, G3, G6, P3, P4, S1
DIMENSIONAL UNITS
ENGLISH . . . . . . . . . . . . . . . . . . . . . . . . . . A1, A3, A4, A5, A6, C3, C4, C5, C6, C7,
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . G1, G2, G3, G5, G6, G7,G8, P3, P4,
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . P6, R3, R5, R6, R7, R8
METRIC . . . . . . . . . . . . . . . . . . . . . . . . . . A2, C1, P5, R4
SI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . C2, G4, P2
ENTHALPY OPTIONS
LEE-KESLER . . . . . . . . . . . . . . . . . . . . . . . . P5
IDEAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . A2, C1,C2, C4
EXPANDER . . . . . . . . . . . . . . . . . . . . . . . . . . A4, G5
FLASHES
ADIABATIC . . . . . . . . . . . . . . . . . . . . . . . . . A1, A4, A6, G3, G4, G5, G6, G7, P4
DECANT WATER . . . . . . . . . . . . . . . . . . . . . . G6
ISOTHERMAL . . . . . . . . . . . . . . . . . . . . . . . A1, A2, A3, A5, A6, G6, G7, R5
DEFINED SPECIFICATION . . . . . . . . . . . . . . . . G8, R3, R4
Application Brief
August 1995
FUGACITY OPTIONS
IDEAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . A2, C1
SOAVE-REDLICH-KWONG . . . . . . . . . . . . . . . . . P6
HEAT EXCHANGER
ATTACHED . . . . . . . . . . . . . . . . . . . . . . . . . A4
CONFIGURATION . . . . . . . . . . . . . . . . . . . . . . P4
PROCESS/PROCESS . . . . . . . . . . . . . . . . . . . A1, A3, A4, A5, A6, G5, G7, G8, P4, S1
PROCESS/UTILITY . . . . . . . . . . . . . . . . . . . . . A4, A5, C5, G6, G8, P4, S1
SINGLE SIDED . . . . . . . . . . . . . . . . . . . . . . . A5, G3, G5, G7, P7
SPECIFICATION
Approach . . . . . . . . . . . . . . . . . . . . . . . A1, A5, G5
Duty . . . . . . . . . . . . . . . . . . . . . . . . . . G3
Liquid fraction . . . . . . . . . . . . . . . . . . . . . A1, A5, G3
Temperature . . . . . . . . . . . . . . . . . . . . . . A3, A4, A5, A6, G3, G5, G6, G8, P4, P7
HEATING/COOLING CURVES
FEED VAPORIZATION . . . . . . . . . . . . . . . . . . . R1
INTERACTIVE . . . . . . . . . . . . . . . . . . . . . . . . G3, P2
K-VALUES
ALCOHOL . . . . . . . . . . . . . . . . . . . . . . . . . . C3, C6
AMINE . . . . . . . . . . . . . . . . . . . . . . . . . . . . G8
BRAUN K10 . . . . . . . . . . . . . . . . . . . . . . . . . R3, R4, R5
CHAO-SEADER/GRAYSON-STREED . . . . . . . . . . . A3, P2, P4, P5, R7
GLYCOL . . . . . . . . . . . . . . . . . . . . . . . . . . . G7
NRTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . A2, C1, C2, C5
PENG-ROBINSON . . . . . . . . . . . . . . . . . . . . . A1, G3, G5, P1, P3
Interaction parameter . . . . . . . . . . . . . . . . . P1
POYNTING . . . . . . . . . . . . . . . . . . . . . . . . . A2, C1, P6
SOAVE-REDLICH-KWONG . . . . . . . . . . . . . . . . . A5, A6, C7, G1, G2, G4, G6, R8
UNIFAC . . . . . . . . . . . . . . . . . . . . . . . . . . . C5, P6
VAN LAAR . . . . . . . . . . . . . . . . . . . . . . . . . . C4
SOUR . . . . . . . . . . . . . . . . . . . . . . . . . . . . R6
Application Brief
August 1995
LIQUID DENSITY OPTIONS
API . . . . . . . . . . . . . . . . . . . . . . . . . . . . . A1, C7
IDEAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . A2, C6, G7
LEE-KESLER . . . . . . . . . . . . . . . . . . . . . . . . G3, G2, G4, G5, P5
COSTALD . . . . . . . . . . . . . . . . . . . . . . . . . . P3, P7
MIXER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . A1, A3, G3, G8, P4, P7, R4
OPTIMIZER . . . . . . . . . . . . . . . . . . . . . . . . . . A4, R7
OUTPUT OPTIONS
ASTM/TBP CURVES . . . . . . . . . . . . . . . . . . . . P3, R1, R3, R4, R5
LIQUID VOLUME . . . . . . . . . . . . . . . . . . . . . . A5, G5
MULTIPLE OUTPUTS . . . . . . . . . . . . . . . . . . . C7, G5
PARTIAL . . . . . . . . . . . . . . . . . . . . . . . . . . G4, R8
STREAM COMPONENT FRACTION/PERCENT . . . . . A2, A3, C1, C2, C3, C4, P1, P2, P6, R8, S1
STREAM SUMMARY . . . . . . . . . . . . . . . . . . . . R3, R4, R5, R6
PETROLEUM FRACTION INPUT . . . . . . . . A3, G4, G6, P3, P5
PHASE ENVELOPE . . . . . . . . . . . . . . . . . . . G1
PUMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . A4, C5, G7, G8, P4, S1
REACTORS
CONVERSION . . . . . . . . . . . . . . . . . . . . . . . A3, A5, P4
CSTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . P7
EQUILIBRIUM . . . . . . . . . . . . . . . . . . . . . . . A6
METHANATOR . . . . . . . . . . . . . . . . . . . . . . . C7
SHIFT . . . . . . . . . . . . . . . . . . . . . . . . . . . . C7
RECYCLE
ACCELERATION . . . . . . . . . . . . . . . . . . . . . . A3, A6, G8, P4, P7, S1
CLOSED LOOP . . . . . . . . . . . . . . . . . . . . . . A1, A5, G3
GENERAL . . . . . . . . . . . . . . . . . . . . . . . . . A2, A4, G4, G6
Application Brief
August 1995
PURGED . . . . . . . . . . . . . . . . . . . . . . . . . . A3, P4
THERMAL . . . . . . . . . . . . . . . . . . . . . . . . . . A1, G5
TOLERANCE . . . . . . . . . . . . . . . . . . . . . . . . P4
REFERENCE STREAMS . . . . . . . . . . . . . . . A1, G5, G8, P4
SEQUENCING . . . . . . . . . . . . . . . . . . . . . . . . A4, G5, P4
SHORTCUT DISTILLATION
FENSKE MULTIPRODUCT . . . . . . . . . . . . . . . . . R3
ONE FEED, TWO PRODUCT . . . . . . . . . . . . . . . . P1, P5, P7
SOLIDS
CENTRIFUGE . . . . . . . . . . . . . . . . . . . . . . . . S1
CRYSTALLIZER . . . . . . . . . . . . . . . . . . . . . . . S1
DISSOLVER . . . . . . . . . . . . . . . . . . . . . . . . . S1
MELTER . . . . . . . . . . . . . . . . . . . . . . . . . . . S1
SPLITTER . . . . . . . . . . . . . . . . . . . . . . . . . . . A1, A3, A4, A6, C5, G6, G8, P4, P7
STREAM CALCULATOR . . . . . . . . . . . . . . . A3, A6, C7, G7, G8, P4, P7
STREAM INPUT
ASTM CURVE . . . . . . . . . . . . . . . . . . . . . . . . R1, R4, R5
LIGHTENDS . . . . . . . . . . . . . . . . . . . . . . . . . R1, R3
LIQUID FRACTION . . . . . . . . . . . . . . . . . . . . . G2
TBP CURVE . . . . . . . . . . . . . . . . . . . . . . . . . R3, R5
THERMODYNAMIC PROPERTIES INPUT
SOAVE-REDLICH-KWONG . . . . . . . . . . . . . . . . . A6
TRANSPORT PROPERTIES
API LIQUID VISCOSITY . . . . . . . . . . . . . . . . . . R3, R5
PETROLEUM . . . . . . . . . . . . . . . . . . . . . . . . A4, R1, R3, R4, R5
PURE/LIBRARY . . . . . . . . . . . . . . . . . . . . . . . C2, C5, C7, G2
SIMSCI LIQUID VISCOSITY . . . . . . . . . . . . . . . . R4
Application Brief
August 1995
VALVE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . A2, A4, A5, C5, G3, G5
VAPOR PRESSURE SPECIFICATIONS
RVP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . R7
TVP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . G6
VLE REGRESSION . . . . . . . . . . . . . . . . . . . C1, P1
VLLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . C3, C6
WATER
DECANTATION IN COLUMN CONDENSER . . . . . . . R3, R5
WATER TRAP TRAYS . . . . . . . . . . . . . . . . . . . P3
Application Brief
August 1995
This page intentionally left blank.
August 1995
Amine Sweetening Plant
Deethanizer
Refrigeration Loop
Compressor Train
Expander Plant
Three Stage Letdown
Gas Dehydration using TEG
G3
G2
G7
G6
G5
G4
G8
Phase Envelope G1
PRO/II KEYWORD MANUAL
February 1992
PHASE ENVELOPE
A high pressure natural gas stream is being transported through a pipeline. You
need to establish whether liquid will dropout during a cold winter, and, if so, what
you must do to prevent it.
The first step is to determine the conditions under which liquid will appear. The
easiest way to do this is to produce a phase envelope for the gas mixture and
examine the boundary of the two phase region.
Process Data Table G1.1 shows the composition of the gas stream. No additional data are
required to solve this problem.

Table G1.1
GAS STREAM COMPOSITION
Component mole % Component mole %
Nitrogen
1.40
N-butane
0.44
Methane
94.30
N-pentane
0.37
Ethane
2.60
N-hexane
0.21
Propane
0.68

Methods
and Data
The phase envelope will solve using either Soave-Redlich-Kwong (SRK) or Peng-
Robinson (PR) for the equilibrium and enthalpy calculations. This example uses
SRK.
Simulation
Model
Phase envelopes may be generated for any flow sheet stream whether it is a defined
feed stream or the product from a unit operation. The phase envelope is a function
only of the stream composition.
All you need to specify to generate the complete envelope is the stream label. No
initial estimates are required. The critical point, cricondentherm and cricondenbar,
will all be calculated.
Input Data The phase envelope is generated by the first EVALUATE statement. The other
statements produce lines of constant liquid fraction which are superimposed on the
envelope.
The temperature and pressure of the stream must be entered on the PROP
statement, but they are not used in the calculation.
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PRO/II APPLICATION BRIEFS PHASE ENVELOPE G1-1
February 1991
Input Data File:
TITLE PROBLEM=G1,PROJECT=APPBRIEFS,&
USER=SIMSCI,DATE=SEPT 90
COMPONENT DATA
LIBID 1,N2/2,C1/3,C2/4,C3/5,NC4/6,NC5/7,NC6
THERMODYNAMIC DATA
METHOD SYSTEM=SRK
STREAM DATA
PROP STREAM=1,TEMP=1,PRESS=1,&
COMP=1.4/94.3/2.6/0.68/0.44/0.37/0.21
UNIT OPERATION
PHASE UID=PHS1
EVALUATE STREAM=1
EVALUATE STREAM=1,LFRACT=0.05
EVALUATE STREAM=1,LFRACT=0.01
Results The maximum dew point temperature occurs at the cricondentherm which is 28.2
F at a pressure of 600 psia.

Figure G1.1
Phase Envelope Plot
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G1-2 PHASE ENVELOPE PRO/II APPLICATION BRIEFS
February 1991
Conclusions If temperatures below 28 F are possible, condensation could occur in parts of the
pipeline which are exposed to the atmosphere.
You will need to study the specific pipeline further to establish whether heaters are
required or if insulation will be sufficient. Alternatively, you might consider removing
more of the heavier components in the gas treatment before the gas enters the
pipeline.
Output The phase envelope information is most easily interpreted when presented in
graphical form. The phase envelope plot shows the type of output produced from
the PC graphics option.
The plot shows the envelope with the lines of constant liquid fraction at 1% and 5%
superimposed on it. If you could accept up to 1% liquid in your line, there would be
no problem unless the temperature fell below -19 F.
The tabular temperature and pressure points for the phase envelope are printed,
and the critical point is identified. Similar tables are available for the lines of constant
liquid fraction.
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PRO/II APPLICATION BRIEFS PHASE ENVELOPE G1-3
February 1991
PHASE ENVELOPE TABULAR OUTPUT
UNIT 1, PHS1
SET 1, STREAM 1
F PSIA
CRICONDENTHERM 28.20 599.6
CRICONDENBAR -27.98 1324.5
CRITICAL POINT -96.06 847.7
MAX. TEMP AND PRES 28.20 1324.5
TEMP PRES TEMP PRES
F PSIA F PSIA
---------------- ---------------- ---------------- ----------------
1 DEW PT 4.33 147.0 41 MAX PRES -27.98 1324.5
2 DEW PT 6.92 177.1 42 DEW PT -41.73 1292.7
3 DEW PT 9.51 207.3 43 DEW PT -51.21 1260.9
4 DEW PT 12.11 237.5 44 DEW PT -56.09 1229.1
5 DEW PT 14.70 267.7 45 DEW PT -60.96 1197.3
6 DEW PT 17.29 297.9 46 DEW PT -65.84 1165.5
7 DEW PT 19.88 328.0 47 DEW PT -70.09 1133.7
8 DEW PT 22.48 358.2 48 DEW PT -73.34 1102.0
9 DEW PT 24.29 388.4 49 DEW PT -76.59 1070.2
10 DEW PT 24.85 418.6 50 DEW PT -79.84 1038.4
11 DEW PT 25.41 448.7 51 DEW PT -83.01 1006.6
12 DEW PT 25.97 478.9 52 DEW PT -85.70 974.8
13 DEW PT 26.52 509.1 53 DEW PT -88.40 943.0
14 DEW PT 27.08 539.3 54 DEW PT -91.06 911.2
15 DEW PT 27.64 569.5 55 DEW PT -93.55 879.5
16 MAX TEMP 28.20 599.6 56 CRITICAL -96.06 847.7
17 DEW PT 27.67 628.6 57 BBL PT -98.98 815.8
18 DEW PT 27.14 657.6 58 BBL PT -102.03 784.0
19 DEW PT 26.61 686.6 59 BBL PT -105.17 752.1
20 DEW PT 26.07 715.6 60 BBL PT -108.38 720.2
21 DEW PT 25.54 744.6 61 BBL PT -111.63 688.4
22 DEW PT 25.01 773.6 62 BBL PT -115.00 656.5
23 DEW PT 24.48 802.6 63 BBL PT -118.37 624.7
24 DEW PT 23.94 831.6 64 BBL PT -121.91 592.8
25 DEW PT 23.41 860.6 65 BBL PT -125.50 561.0
26 DEW PT 22.48 889.6 66 BBL PT -129.19 529.1
27 DEW PT 20.60 918.6 67 BBL PT -133.21 497.3
28 DEW PT 18.73 947.6 68 BBL PT -137.22 465.4
29 DEW PT 16.85 976.6 69 BBL PT -141.24 433.5
30 DEW PT 14.97 1005.5 70 BBL PT -145.77 401.7
31 DEW PT 13.10 1034.5 71 BBL PT -150.79 369.8
32 DEW PT 11.22 1063.5 72 BBL PT -155.81 338.0
33 DEW PT 9.35 1092.5 73 BBL PT -160.83 306.1
34 DEW PT 7.47 1121.5 74 BBL PT -165.85 274.3
35 DEW PT 5.59 1150.5 75 BBL PT -172.23 242.4
36 DEW PT 3.72 1179.5 76 BBL PT -179.30 210.6
37 DEW PT 1.14 1208.5 77 BBL PT -186.36 178.7
38 DEW PT -5.25 1237.5 78 BBL PT -194.08 146.8
39 DEW PT -11.64 1266.5 79 BBL PT -204.72 115.0
40 DEW PT -18.03 1295.5 80 BBL PT -215.36 83.1
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G1-4 PHASE ENVELOPE PRO/II APPLICATION BRIEFS
February 1991
DEETHANIZER
You have to design a deethanizer to remove C2 and lighter components from a light
hydrocarbon gas stream. 99% of the propane in the feed must be recovered in the
bottom product. The bottoms purity is defined by an ethane to propane ratio of
0.025.
There is a design trade-off between capital and operating costs. Capital cost
depends on the number of stages, which determines the height, and on the diameter
of the column. Operating costs depend on condenser and reboiler loadings.
In order to develop a relationship between capital and operating costs, a number of
runs with different column heights (stages) is required. This example calculates the
diameter of a 20 theoretical tray column operating at 82% of flood, with an 18-inch
sieve tray spacing. The diameters of the sections above and below the feed are
determined separately.
Process Data The flow sheet is shown in Figure G2.1.
Figure G2.1
Deethanizer Column
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PRO/II APPLICATION BRIEFS DEETHANIZER G2-1
February 1991
Table G2.1 shows the composition of the feed stream.
Table G2.1
GAS STREAM COMPOSITION
Nitrogen
0.03
N-butane
4.60
Methane
44.59
I-pentane
1.68
Ethane
19.83
N-pentane
1.16
Propane
19.09
N-hexane
2.96
I-butane
4.16
N-heptane
1.90
Total flow (lb moles/hr)
900.00
The known process conditions are shown in Table G2.2.
Table G2.2
Process Conditions
Stream Pressure
(psig)
Thermal
Conditions
1 (feed) 440
30 mole % vaporized
2 (condenser) 425
dew point
3 (bottoms) 440
bubble point
Methods
and Data
Soave-Redlich-Kwong has been chosen to calculate equilibrium, enthalpy, and
vapor density. Lee-Kesler is used for liquid density. The tray sizing calculation
requires transport properties which are generated by component blending.
Simulation
Model
The deethanizer is modeled as a conventional distillation column with 20 theoretical
stages including the condenser. A thermosiphon reboiler is required; this is simu-
lated by a pump-around heater on the bottom tray, with a return stream vapor fraction
of 0.35. The feed is flashed at the feed tray pressure, the vapor rising under tray 9
and the liquid dropping onto tray 10.
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G2-2 DEETHANIZER PRO/II APPLICATION BRIEFS
February 1991
Input Data Standard English units have been chosen except that the pressure units have been
changed to psig and liquid volume units to US gallons.
The liquid fraction of the feed is entered, and the temperature at the feed pressure
will be calculated.
The SEPARATE keyword on the FEED statement sends the vapor to the tray above.
Without it, the vapor portion of a mixed phase feed would enter below the feed tray.
The tray sizing calculations are invoked by the TSIZE statements. The size of each
tray is determined, and each section is then rated at its largest tray diameter.
The propane recovery is defined by a 1% molar loss in the overhead. The ethane/pro-
pane ratio in the bottoms, 0.025, is the ratio of the component molar flow rates. The
condenser and reboiler duties are varied in order to meet the specifications.
Input Data File:
TITLE PROBLEM=G2,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DIMENSION PRES=PSIG,LIQVOL=GAL
COMPONENT DATA
LIBID 1,N2/2,C1/3,C2/4,C3/5,IC4/6,NC4/&
7,IC5/8,NC5/9,NC6/10,NC7
THERMODYNAMIC DATA
METHOD SYSTEM=SRK,DENSITY(L)=LK,TRANSPORT=PURE
STREAM DATA
PROP STREAM=1,LFRACT=0.7,PRESS=440,RATE=900,&
COMP=0.03/44.59/19.83/19.09/4.16/&
4.60/1.68/1.16/2.96/1.90
NAME 1,FEED/2,OVERHEAD/3,BOTTOMS
UNIT OPERATIONS DATA
COLUMN UID=D101,NAME=DEETHANIZER
PARA TRAY=20
FEED 1,10,SEPARATE
PROD OVHD=2,540,BTMS=3
COND TYPE=PARTIAL,PRES=425
PSPEC TOP=430,DPCOL=10
HEAT 1,1/2,20
ESTI MODEL=CONVENTIONAL,RRATIO=0.4
SPEC STREAM=3,COMP=3,RATE,RATIO,COMP=4,VALUE=0.025
SPEC STREAM=2,COMP=4,RATE,RATIO,STREAM=1,VALUE=0.01
PA FROM=20,TO=20,LFRACTION=0.65
VARY HEAT=1,2
TSIZE SECTIONS=2,9,SIEVE,SPACING=18,FF=82,DMIN=18
TSIZE SECTIONS=10,20,SIEVE,SPACING=18,FF=82,DMIN=18
END
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February 1991
Results The capital cost of the column depends on its height and diameter. The height is a
function of the number of trays. The diameters for 20 theoretical stages are 30
inches above the feed and 54 inches below it.
Conclusions This simulation shows the diameter and duties for one specific column height. The
column cost is obtained from the height and diameter. The column duties determine
the capital costs of the condenser and reboiler, as well as representing the major
operating costs. You will need to run cases at other column heights to determine
the capital/operating cost relationship.
Output The column summary output shows the details of the temperatures, pressures,
duties and flow rates in the column.
The tray sizing results show the calculated diameter for each tray. Where the
calculated diameter is not sufficient to accomodate the tray free area plus the
downcomer area, a warning is printed and the diameter is increased until the
restriction has been overcome.
The largest tray diameter in each section is used to rate the whole section, 30 inches
in the top and 54 inches in the bottom of the column. The flooding factor and
downcomer backup are printed for each tray.
Finally, part of the stream printout is presented with a summary of the feed and
product streams.
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February 1991
DEETHANIZER COLUMN OUTPUT
COLUMN SUMMARY
-------------------- NET FLOW RATES --------------------- HEATER
TRAY TEMP PRESSURE LIQUID VAPOR FEED PRODUCT DUTIES
DEG F PSIG LB-MOL/HR MM BTU/HR
------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- ------------------------
1 -36.6 425.00 314.3 577.5V -1.4598
2 -8.0 430.00 312.3 891.9
3 1.1 430.56 293.0 889.8
4 8.2 431.11 270.0 870.5
5 15.4 431.67 250.9 847.5
6 21.9 432.22 237.9 828.5
7 26.9 432.78 228.9 815.4
8 30.7 433.33 219.4 806.4
9 34.5 433.89 203.7 796.9 272.6V
10 70.6 434.44 1045.5 508.5 627.4L
11 112.8 435.00 1216.8 723.0
12 135.2 435.56 1313.5 894.3
13 150.7 436.11 1380.8 991.0
14 162.7 436.67 1438.0 1058.4
15 172.4 437.22 1487.2 1115.5
16 180.4 437.78 1524.6 1164.7
17 187.7 438.33 1541.7 1202.1
18 195.8 438.89 1517.4 1219.2
19 208.4 439.44 1399.9 1194.9
20 234.9 440.00 1077.4 322.5L 5.4219
FEED AND PRODUCT STREAMS
TYPE STREAM PHASE FROM TO LIQUID FLOW RATES HEAT RATES
TRAY TRAY FRACTION LB-MOL/HR MM BTU/HR
------------- ------------ ------------ -------- -------- ---------------- ------------------------ ------------------------
FEED 1 MIXED 10 0.6971 900.00 -1.3611
PRODUCT 2 VAPOR 1 577.51 0.1573
PRODUCT 3 LIQUID 20 322.49 2.4438
OVERALL MASS BALANCE, (FEEDS - PRODUCTS) 3.8436E-04
OVERALL HEAT BALANCE, (H(IN) - H(OUT) ) -1.1936E-04
PUMPAROUNDS
TRAY TEMP, DEG F LIQUID FRACTION ------------------------ RATES -------------------------
FROM TO FROM TO FROM TO LB-MOL/HR M LB/HR STD GAL/HR
-------- -------- ------------- ------------- ------------- ------------- -------------------- -------------------- --------------------
20 20 234.9 249.9 1.0000 0.6500 2772.58 155.309 33007.07

SPECIFICATIONS
PARAMETER TRAY COMP SPECIFICATION SPECIFIED CALCULATED
TYPE NO NO TYPE VALUE VALUE
----------------- -------- ------------ ------------------------- -------------------- --------------------
STRM 3 20 3 MOL RATIO 2.500E-02 2.501E-02
STRM 2 1 4 MOL RATIO 1.000E-02 9.966E-03
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February 1991
TRAY SIZING CALCULATION OUTPUT
TRAY SIZING MECHANICAL DATA
SECTION TRAY TRAY TRAY SPACING SYSTEM TRAY MIN DIAMETER
NUMBERS PASSES IN FACTOR TYPE IN
------------- ----------------- ------------ ------------------------ ------------ --------- ------------------------
1 2 - 9 N/A 18.00 1.00 SIEVE 18.00
2 10 - 20 N/A 18.00 1.00 SIEVE 18.00
TRAY SIZING RESULTS
TRAY VAPOR LIQUID VLOAD ---- DESIGN ---- NEXT SMALLER NEXT LARGER NP
CFS HOTGPM CFS DIA, IN FF DIA, IN FF DIA, IN FF
-------- --------- ------------ --------- ------------- -------- ------------- -------- ------------- -------- ----
2 2.071 42.6 0.714 25.1 82.0 24. 91.5 30. 53.5 1
3 2.078 40.9 0.706 24.8 82.0 24. 88.8 30. 52.3 1
4 2.076 38.6 0.691 24.3 82.0 24. 84.9 30. 50.4 1
5 2.074 36.7 0.679 27.0 62.0 24. 81.9 30. 48.9 1
MECHANICAL RESTRICTION ON TRAY 5, FOR FF = 82.0, CALCD. DIA = 24.0
6 2.073 35.5 0.671 26.8 61.9 24. 80.0 30. 48.0 1
7 2.073 34.7 0.666 29.6 48.7 24. 78.7 30. 47.3 1
8 2.076 33.7 0.660 29.4 48.6 24. 77.3 30. 46.6 1
9 2.037 31.8 0.643 29.0 48.4 24. 74.1 30. 44.9 1
10 1.961 179.7 0.715 37.2 63.2 36. 69.6 42. 46.2 1
11 2.401 229.9 0.960 40.0 82.0 36. 121.7 42. 70.4 1
12 2.647 263.4 1.118 43.5 82.0 42. 92.1 48. 61.8 1
13 2.812 289.5 1.236 46.1 82.0 42. 114.0 48. 72.6 1
14 2.947 312.6 1.339 48.3 82.0 48. 83.6 54. 60.3 1
15 3.062 333.2 1.429 50.2 82.0 48. 94.9 54. 66.8 1
16 3.155 350.3 1.503 51.8 82.0 48. 105.6 54. 72.6 1
17 3.217 362.3 1.555 52.9 82.0 48. 114.1 54. 77.0 1
18 3.226 365.0 1.566 53.1 82.0 48. 116.1 54. 78.0 1
19 3.107 347.3 1.486 51.5 82.0 48. 103.6 54. 71.6 1
** WARNING ** DESIGN DIAMETER INCLUDES MECHANICAL RESTRICTION ALLOWANCES
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February 1991
TRAY RATING CALCULATION OUTPUT

TRAY SELECTION FOR TRAY RATING
SIEVE HOLE AREA 12.00 PERCENT OF ACTIVE AREA
SIEVE HOLE DIAMETER 0.5 IN
DESIGN NUMBER --------- DOWNCOMER WIDTHS -------------
SECTION TRAY DIAMETER NP OF VALVES SIDE CENTER OFF-CENTER
NUMBER IN OR CAPS IN IN IN
------------- ------------ ---------------- ---- ----------------- ------------ ------------- --------------------
1 2 30. 1 N/A 4.112 N/A N/A
2 18 54. 1 N/A 15.289 N/A N/A
TRAY RATING AT SELECTED DESIGN TRAYS
PRES DOWNCOMER
TRAY VAPOR LIQUID VLOAD DIAM FF NP DROP GPM/LWI BACKUP, IN
CFS HOTGPM CFS IN PSI GPM/IN CLEAR LIQD
-------- --------- ------------ --------- -------- -------- ---- ------------ ------------- --------------------
2 2.071 42.6 0.714 30. 53.5 1 0.039 2.1 5.51
3 2.078 40.9 0.706 30. 52.7 1 0.040 2.0 5.46
4 2.076 38.6 0.691 30. 51.4 1 0.040 1.9 5.37
5 2.074 36.7 0.679 30. 50.3 1 0.040 1.8 5.30
6 2.073 35.5 0.671 30. 49.6 1 0.040 1.7 5.26
7 2.073 34.7 0.666 30. 49.1 1 0.040 1.7 5.23
8 2.076 33.7 0.660 30. 48.6 1 0.040 1.6 5.19
9 2.037 31.8 0.643 30. 47.2 1 0.040 1.5 5.11
10 1.961 179.7 0.715 54. 34.9 1 0.043 3.7 6.05
11 2.401 229.9 0.960 54. 46.7 1 0.043 4.7 6.67
12 2.647 263.4 1.118 54. 54.5 1 0.045 5.4 7.15
13 2.812 289.5 1.236 54. 60.6 1 0.046 6.0 7.53
14 2.947 312.6 1.339 54. 65.9 1 0.047 6.4 7.88
15 3.062 333.2 1.429 54. 70.7 1 0.047 6.8 8.21
16 3.155 350.3 1.503 54. 74.6 1 0.048 7.2 8.49
17 3.217 362.3 1.555 54. 77.4 1 0.049 7.4 8.69
18 3.226 365.0 1.566 54. 78.0 1 0.049 7.5 8.74
19 3.107 347.3 1.486 54. 73.9 1 0.048 7.1 8.44
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February 1991
STREAM COMPONENT FLOW RATE OUTPUT
STREAM ID 1 2 3
NAME FEED OVERHEAD BOTTOMS
PHASE MIXED VAPOR LIQUID

FLUID RATES, LB-MOL/HR
1 N2 0.2700 0.2700 1.5463E-10
2 C1 401.3100 401.3098 4.8525E-04
3 C2 178.4700 174.2154 4.2543
4 C3 171.8100 1.7123 170.0974
5 IC4 37.4400 7.7944E-05 37.4398
6 NC4 41.4000 3.1072E-06 41.3999
7 IC5 15.1200 1.8147E-10 15.1200
8 NC5 10.4400 9.3386E-12 10.4400
9 NC6 26.6400 3.7012E-16 26.6400
10 NC7 17.1000 5.9000E-16 17.1000
TOTAL RATE, LB-MOL/HR 899.9999 577.5077 322.4919
TEMPERATURE, F -29.8002 -36.5693 234.8548
PRESSURE, PSIG 440.0000 425.0000 440.0000
ENTHALPY, MM BTU/HR -1.3611 0.1573 2.4438
MOLECULAR WEIGHT 33.1385 20.3633 56.0159
MOLE FRAC VAPOR 0.3000 1.0000 0.0000
MOLE FRAC LIQUID 0.7000 0.0000 1.0000
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February 1991
REFRIGERATION LOOP
A refrigeration loop was originally designed to take advantage of a low temperature
stream from another process, to help condense the refrigerant. Now it is proposed
that some or all of this stream will be used elsewhere in the plant. You must
determine the effect on the refrigeration loop of losing this auxiliary cooling duty.
Process Data The process flow sheet is shown in Figure G3.1. The loop is closed and operates
with a fixed quantity of refrigerant. The liquid refrigerant flashes through the valve,
V1, and some of the vapor produced is condensed in the cooler H2. The proposed
modifications will reduce or eliminate this duty.
The two phases in the stream leaving the cooler are separated in the flash, F1, and
the liquid portion is vaporized to provide the required refrigerant duty. The two vapor
streams are then combined, recompressed, and condensed.
The refrigerant composition is shown in Table G3.1.
Table G3.1
REFRIGERANT COMPOSITION
Component lb moles/hr Component lb moles/hr
Ethane
1.04
i-Butane
1.68
Propane
96.94
n-Butane
0.34
Figure G3.1
Refrigeration Loop Flow Sheet
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PRO/II APPLICATION BRIEFS REFRIGERATION LOOP G3-1
February 1991
Because the process changes will change the flow rate through the existing
compressor, performance curves supplied by the manufacturer are used in the
calculations. The curves are shown in Figure G3.2.
Methods
and Data
The Peng-Robinson equation of state has been selected for calculating equilibrium
K-values, enthalpies, and entropies. Liquid densities are calculated using the
Lee-Kesler correlation. This combination gives accurate results for this type of light
hydrocarbon system.
Simulation
Model
The independent variable in this simulation is the flow rate of the refrigerant. This
flow rate is estimated in the Stream Data Catagory based on the latent heat of
propane, and a feedback controller is used to calculate it as shown in Figure G3.3.
The vaporizer exit stream is set to its dew point, and the controller varies the rate of
stream 1 in order to meet the required refrigerant duty.

Figure G3.2
Compressor Performance Curves
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G3-2 REFRIGERATION LOOP PRO/II APPLICATION BRIEFS
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We want to study the effect of reducing the duty of H2. Although multiple cases
could be executed, in this example, the interactive facility is used to change the duty
and observe its effect on the other important parameters. This facility uses a
question and answer procedure, and allows any specification in the flow sheet to
be changed and any parameter to be inspected during the program execution. The
interactive facility may be invoked via the Graphics User Interface on the PC, or via
the PRO/II driver on mainframe computers.
The existing base case is simulated. Then the duty of H2 is reduced in steps until
the program indicates that the combination of required process conditions is
impossible. The refrigerant flow rate, the compressor work, and the cooling in H1
are inspected at each step.
Input Data English units default, and U.S. gallons are specified for liquid
volume on the DIMENSION statement.
The defined stream 1 flow rate of 20,000 moles/hr is an estimate, and this is varied
by the controller to meet the duty specification on exchanger, H3. An absolute
tolerance of 0.5 MM BTU is specified on this duty.
The H3 specification of a zero liquid fraction sets the outlet condition to its dew point.
The compressor performance curves for actual head and adiabatic efficiency are
input as tabular values against actual inlet flow rate.
Figure G3.3
Simulation Flow Sheet
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Input Data File:
DIMEN LIQV=GAL
COMPONENT DATA
LIBID 1,ETHANE/2,PROPANE/3,IBUTANE/4,BUTANE
THERMODYNAMIC DATA
METHODS SYSTEM=PR,DENSITY(L)=LK
STREAM DATA
PROP STREAM=1,TEMP=140,PRES=315,RATE=20000,&
COMP=1,1.04/2,96.94/3,1.68/4,0.34
NAME 1,PROPANE
UNIT OPERATIONS
VALVE UID=V1,NAME=VALVE
FEED 1
PROD V=2
OPER PRES=88
HX UID=H2,NAME=COOLER
HOT FEED=2,L=3,DP=5
OPER DUTY=12.5
FLASH UID=F1,NAME=SEPARATOR
FEED 3
PROD V=4,L=5
ADIA
HX UID=H3,NAME=VAPORIZER
COLD FEED=5,V=6,DP=9
OPER CLFRACT=0
CONTROL UID=CON1,NAME=CONTROL
SPEC HX=H3,DUTY,VALUE=82.74,ATOL=0.5
VARY STREAM=1,RATE
CPAR ITER=10
MIXER UID=M1,NAME=SURGE
FEED 4,6
PROD M=7
OPER PRES=65
COMPRESS UID=C1,NAME=COMPRESSOR
FEED 7
PROD V=8
HEAD ACTUAL=912000,38000/1018000,37000/1237000,35300/&
1356000,33100/1427000,27250
EFFI ADIA=912000,69 /1018000,71 /1237000,72 /&
1356000,73 /1427000,71
HX UID=H1,NAME=COOLER
HOT FEED=8,V=1,DP=8
OPER HTEMP=140
END
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Interactive The interactive procedure pauses for commands after the input check. The RUN
command is entered to execute the program and solve the flow sheet. The relevant
portions of the output are then examined using the VIEW command. This is shown
below for the initial case. The user entries are underlined. An entry of HELP to any
question gives a list of the possible replies. The HELP facility may be turned on
permenantly with the SET MENU command.
The command parts may be entered singularly, as when requesting the stream
output, or they may be entered together, as shown for the compressor and cooler
output.
It is not necessary to wait for the execution to finish to inspect or change data. The
execution may be interrupted at any time by pressing the interrupt key (Esc on
IBM PCs and compatibles, Break on Prime, ^C on VAX). Items may then be
examined or altered, and the execution continued.
ENTER COMMAND (HELP)
} VIEW
STREAM OR UNIT (/ TO ABORT COMMAND)
VI } STREAM
ENTER STREAM ID OR #NUMBER (HELP - / TO ABORT COMMAND)
VI ST } 1
STREAM 1, 1, PROPANE
TOTAL VAPOR LIQUID
-------------------- -------------------- ----------------
TEMPERATURE, F 140.00
PRESSURE, PSIA 313.82
RATE, LB-MOL/HR 16687.8300 0.0000 16687.8300
FRACTION 0.0000 1.0000
ENTHALPY, BTU/LB/MOL 3314.0750 0.0000 3314.0750
CP, BTU/LB-MOL-F 0.0000 39.2404
Z FROM FUGACITIES 0.6680 0.0815
Z FROM ENTHALPY 0.7425 0.0815
COMP 1, ETHANE 173.5535 0.0000 173.5535
2, PROPANE 16177.1890 0.0000 16177.1800
3, IBUTANE 280.3556 0.0000 280.3556
4, NBUTANE 56.7386 0.0000 56.7386
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} VIEW UNIT C1
UNIT 7, C1, COMPRESSOR
TYPE COMPRESSOR
FEEDS 7
PRODUCTS 8
OUTLET TEMPERATURE, F 183.65
OUTLET PRESSURE, PSIA 321.82
PRESSURE INCREASE, PSI 256.82
ACTUAL WORK, HP 13121.76
HEAD, FT 35184.28
ADIABATIC EFFICIENCY 72.00
POLYTROPIC EFFICIENCY 76.82
AFTER-COOLER TOUT, F MISSING
AFTER-COOLER DP, PSI (ACDP) 0.00
AFTER-COOLER DUTY, MM BTU/HR MISSING
} VIEW UNIT H1
UNIT 8, H1, COOLER
TYPE HEAT EXCHANGER
FEEDS - HOT SIDE 8
PRODUCTS - HOT SIDE 1
HOT OUTLET TEMPERATURE, F
(HTEM) 140.00
COLD OUTLET TEMPERATURE, F MISSING
HOT PRESSURE DROP, PSI (HDP) 8.00
COLD PRESSURE DROP, PSI (CDP) 0.00
HOT LIQUID FRACTION 1.0000
COLD LIQUID FRACTION MISSING
DUTY , MM BTU/HR 98.78
U, BTU/HR-FT2-F MISSING
AREA, FT2 MISSING
FT 1.00
LMTD, F 621.24
ZONE-WEIGHTED LMTD, F MISSING
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After the results have been inspected, the CHANGE command is entered to reduce
the duty of H2 as shown below.
} CHANGE UNIT H2
ENTER UNIT ITEM TO CHANGE (HELP - / TO ABORT COMMAND)
CH UN H2 } DUTY
ENTER DUTY IN MM BTU/HR (/ TO ABORT COMMAND)
CH UN H2 DUTY } 15
After PRO/IIs internal pointer is reset to the beginning of the calculation sequence
with GOTO UNIT #1, the RUN command re-solves the flow sheet, and the results
are inspected as before.
Results The base case flow sheet converges in only two recycle trials. The flow sheet is
solved with the existing duty of cooler, H2, and then with 15 and 12.5 MM Btu/hr.
However, when the duty is below 12.2 MM Btu/hr, the refrigerant flow rate increases
dramatically beyond the range of the compressor performance curves.
The main flow sheet parameters are listed in Table G3.2 for the first three cases.
Exchanger H2 condenses some of the refrigerant, and therefore, if the duty is
reduced, less condensation occurs. This is reflected in the lower liquid fraction at
the separator. Higher refrigerant flow rates are therefore required to maintain the
same liquid flow through the vaporizer.
The performance curves in Figure G3.2 show that the compressor head falls with
increasing flow rate. At the flow rates in these simulations, the efficiency increases
with flow rate, and so the compressor outlet pressure increases.
Table G3.2
RESULTS
H2 duty (MM Btu/hr) 17.34 15.0 12.5
Stream 1 (lb mole/hr) 16688 17280 17814
Separator L/F 0.7112 0.6879 0.6651
Compressor work (HP) 13122 13683 13790
Compressor Temp (F) 183.6 186.16 182.9
Compressor Pres (psia) 321.9 333.15 322.2
H1 duty (MM Btu/hr) -98.78 -102.68 -105.27
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When the refrigerant flow rate exceeds 18000 lb mole/hr, both the efficiency and
head fall with increasing flow rate. When this happens, the feed pressure to the
valve, V1, is reduced, and so the expansion produces less cooling. This, in turn,
leads to less liquid for the vaporizer. The controller then increases the refrigerant
flow rate, which again reduces the amount of liquid, and it is not possible to supply
the specified refrigeration duty.
Conclusions The refrigerant loop can only operate as currently configured if the cooling duty in
exchanger H2 exceeds 12.2 MM Btu/hr. If the duty is to be reduced farther, the flow
sheet will require other modifications.
The interactive feature is extremely useful in this type of study, as the user can
intervene when impossible process conditions occur. When low H2 duties are
entered, the compressor calculation fails, and the execution is interrupted. The duty
is then changed and the calculation continues until a solution is possible.
This simulation shows the importance of considering the real performance charac-
teristics of process equipment. If the compressor were specified with only a defined
exit pressure, the problem with increased flow rate might not have been detected
until a later, and more costly, stage.
Output The stream output is shown for the case with the cooler duty at 12.5 MM Btu/hr.
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STREAM OUTPUT
STREAM ID 1 2 3 4
NAME PROPANE
PHASE LIQUID MIXED MIXED VAPOR

1 ETHANE 186.3393 186.3394 186.3394 121.7109
2 PROPANE 17368.9922 17368.9922 17368.9922 5869.7583
3 IBUTANE 301.0101 301.0100 301.0100 50.4964
4 BUTANE 60.9187 60.9187 60.9187 7.4506
TOTAL RATE, LB-MOL/HR 17917.2598 17917.2598 17917.2598 6049.4155
TEMPERATURE, F 140.0000 47.4142 43.5651 43.5654
PRESSURE, PSIA 311.6193 88.0000 83.0000 83.0000
ENTHALPY, MM BTU/HR 59.4047 59.4057 46.9135 43.6858
MOLECULAR WEIGHT 44.2345 44.2345 44.2345 43.9492
MOLE FRAC VAPOR 0.0000 0.4257 0.3376 1.0000
MOLE FRAC LIQUID 1.0000 0.5743 0.6624 0.0000
STREAM ID 5 6 7 8
NAME
PHASE LIQUID VAPOR VAPOR VAPOR

1 ETHANE 64.6284 64.6284 186.3393 186.3393
2 PROPANE 11499.2334 11499.2334 17368.9922 17368.9922
3 IBUTANE 250.5137 250.5137 301.0101 301.0101
4 BUTANE 53.4681 53.4681 60.9187 60.9187
TEMPERATURE, F 43.5654 39.3252 37.7888 181.8029
PRESSURE, PSIA 83.0000 74.0000 65.0000 319.6193
MOLE FRAC VAPOR 0.0000 1.0000 1.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0000 0.0000 0.0000
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COMPRESSOR TRAIN
A plant has been designed to compress a gas stream from 450 kPa to 6200 kPa,
in three stages, for transportation by a pipeline. To select the compressors, you
have to calculate the required work for each stage. You also need the cooler duties
and recycle rates in each stage for utility calculations.
The compressed gas is to be cooled to 60 C after each stage, to condense the
heavier components. In order to maximize the gas product rate, the liquid from each
stage is recycled back to the previous stage.
Process Data The flow sheet is shown in Figure G4.1. Each stage consists of a compressor,
aftercooler, and separator drum. Table G4.1 lists the specified operating conditions
for the compressors.
Table G4.1
COMPRESSOR DATA
Compressor Pressure (kPa) Adiabatic Efficiency (%)
Stage 1 1100 78
Stage 2 2600 75
Stage 3 6200 72
Figure G4.1
Compressor Train Flow Sheet
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PRO/II APPLICATION BRIEFS COMPRESSOR TRAIN G4-1
February 1991
The feed details are shown in Table G4.2
Table G4.2
FEED STREAM INFORMATION
Component kg moles/hr Component kg moles/hr
Nitrogen 181 I-pentane 953
CO2 1920 N-pentane 1633
Methane 14515 Hexane 1542
Ethane 9072 BP 135 11975
Propane 7260 BP 260 9072
I-butane 770 BP 500 9072
N-butane 2810
Pressure (kPa)
450
Temperature (C)
45
Methods
and Data
The Soave-Redlich-Kwong (SRK) equation of state is used to calculate equilibrium
K-values, enthalpies, and vapor densities. Binary interaction parameters are built
into the program in order to model accurately the non-ideal behavior of N2 and CO2
with the hydrocarbons.
The SRK method has been found to predict liquid densities which may be 10-20%
low. For this reason, the LK method has been selected as the most suitable for light
hydrocarbon, high methane mixtures.
The heavy end of the gas stream is characterized as three petroleum fractions. The
properties of the fractions are listed in Table G4.3.
Table G4.3
PETROLEUM FRACTION PROPERTIES
Fraction Molecular wt. Sp. Grav. NBP (C)
BP 135 120 0.757 135
BP 260 200 0.836 260
BP 500 500 0.950 500
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Simulation
Model
The compressors are modeled with fixed outlet pressures and efficiencies. The
PRO/II compressor model has a built-in aftercooler and flash separator drum.
The separators for stages 1 and 2 are modeled as separate adiabatic flash drums,
in order to mix the compressor product with the recycled liquid.
No estimates are required for the rate and composition of the three recycle streams.
Input Data SI units are used in this simulation with the temperatures in Celsius rather than the
default of Kelvin. The three petroleum fractions are characterized by molecular
weight, specific gravity, and boiling point. XDEN=SPGR indicates that specific
gravity is entered rather than density, the default for SI units.
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Input Data File:
DIMENSION SI,TEMP=C,XDEN=SPGR
PRINT STREAM=PART
COMPONENT DATA
LIBID 1,NITROGEN/2,CO2 /3,METHANE /4,ETHANE / &
5,PROPANE /6,IBUTANE /7,BUTANE /8,IPENTANE/ &
9,PENTANE /10,HEXANE
PETRO 11,BP135,120,0.757,135/12,BP260,200,0.836,260/ &
13,BP500,500,0.95,500
THERMODYNAMIC DATA
METHODS SYSTEM=SRK,DENSITY(L)=LK
STREAM DATA
PROP STREAM=100,TEMP=45,PRES=450,&
COMP=1,181/2,1920/3,14515/4,9072/5,7260/6,770/7,2810/&
8,953/9,1633/10,1542/11,11975/12,9072/13,9072
NAME 100,INLET GAS/10,COMPR VAPOR /11,CONDENSATE
UNIT OPERATIONS
FLASH UID=F1,NAME=FEED FLASH
FEED 100,5
PROD V=2,L=11
ADIA
COMPRESS UID=C1,NAME=STAGE 1
FEED 2
PROD V=3
OPER EFF=78,PRES=1100
COOLER TEMP=60
FLASH UID=F2,NAME=STAGE 1 SEP
FEED 3,8
PROD V=4,L=5
ADIA
FEED 4
PROD V=6
COOLER TEMP=60
FLASH UID=F3,NAME=STAGE 2 SEP
FEED 6,9
PROD V=7,L=8
ADIA
FEED 7
PROD V=10,L=9
COOLER TEMP=60
END
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Results The recycles converged after 8 iterations. The work, duty, and recycle rates are
summarized in Table G4.4.
Table G4.4
COMPRESSOR RESULTS
Compressor Work (kW) Duty (GJ/hr) Recycle (kmol/hr)
Stage 1 27801 -81.9 111.8
Stage 2 28048 -120.1 518.0
Stage 3 27782 -164.8 973.0
Conclusions The work required for all the compressors is similar, and it may be possible to use
identical machines for each. The duty required to cool the vapor and the amount of
liquid to be recycled increase as the pressure difference increases across each
stage. The total cooling requirement is 366.8 GJ/hr.
Output The flash summary shows the details of the feed flash and first two letdown stages.
Details of the third stage are shown on the output from compressor C3.
The PRINT statement specifies that only part of the stream printout is required. This
prints the component flow rates, temperatures, and pressures, but omits the
property output. The final output lists the details of the feed and product streams.
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FLASH SUMMARY
FLASH ID F1 F2 F3
NAME FEED FLASH STAGE 1 SEP STAGE 2 SEP

FEEDS 100 3 6
5 8 9
PRODUCTS VAPOR 2 4 7
LIQUID 11 5 8
TEMPERATURE, C 45.000 55.736 57.107
PRESSURE, KPA 450.000 1100.000 2600.000
PRESSURE DROP, KPA 0.000 0.000 0.000
MOLE FRAC VAPOR 0.44700 0.99653 0.98433
MOLE FRAC LIQUID 0.55300 0.00347 0.01567
DUTY, M*KJ/HR 0.00000 0.00000 0.00000
FLASH TYPE ADIABATIC-P ADIABATIC-P ADIABATIC-P
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OUTPUT FOR STAGE 3 COMPRESSOR
UNIT 6, C3, STAGE 3
FEEDS 7

PRODUCTS LIQUID 9
VAPOR 10
OPERATING CONDITIONS
INLET ISENTROPIC OUTLET
--------------------- --------------------- ---------------------
TEMPERATURE, C 57.11 110.76 122.19
PRESSURE, KPA 2600.00 6200.00 6200.00
ENTHALPY, M*KJ/HR 334.2003 406.2101 434.2138
ENTROPY, KJ/KG-MOL-C 209.4579 209.4579 211.6669
CP, KJ/KG-MOL-C 63.5285 75.1511
CV, KJ/KG-MOL-C 48.6656 56.5508
CP/(CP-R) 1.1506 1.1244
CP/CV 1.3054 1.3289
MOLE PERCENT VAPOR 100.0000 100.0000 100.0000
MOLE PERCENT LIQUID 0.0000 0.0000 0.0000
ACT VAP RATE, M3/SEC 8.3816
ADIABATIC EFF, PERCENT 72.0000
POLYTROPIC EFF, PERCENT 74.6812
ISENTROPIC COEFFICIENT, K 1.2019
POLYTROPIC COEFFICIENT, N 1.2902
HEAD, M
ADIABATIC 7566.30
POLYTROPIC 7848.06
ACTUAL 10508.75
WORK, KW
THEORETICAL 20002.73
POLYTROPIC 20747.60
ACTUAL 27781.56
AFTERCOOLER
DUTY, M*KJ/HR -164.79
TEMPERATURE, C 60.00
PRESSURE, KPA 6200.00
NOTE: POLYTROPIC AND ISENTROPIC COEFFICIENTS ARE
CALCULATED FROM HEAD EQUATION.
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FEED AND PRODUCT STREAM OUTPUT
1STREAM ID 10 11 100
NAME COMPR VAPOR CONDENSATE INLET GAS
PHASE VAPOR LIQUID MIXED

FLUID RATES, KG-MOL/HR
1 NITROGEN 179.5963 1.3944 181.0000
2 CO2 1812.2617 107.5004 1920.0001
3 METHANE 14113.3457 400.3724 14515.0010
4 ETHANE 8001.8335 1068.5183 9072.0000
5 PROPANE 5124.0815 2133.8696 7260.0000
6 IBUTANE 397.2075 372.5232 770.0000
7 BUTANE 1220.0641 1588.9044 2810.0000
8 IPENTANE 235.6160 716.9981 953.0000
9 PENTANE 332.7747 1299.5493 1633.0000
10 HEXANE 121.2520 1419.9563 1542.0000
11 BP135 28.3821 11946.9199 11975.0020
12 BP260 7.2584E-07 9072.0410 9072.0000
13 BP500 9.0082E-16 9072.0400 9072.0000
TOTAL RATE, KG-MOL/HR 31566.4160 39200.5898 70775.0000
TEMPERATURE, C 60.0000 44.9995 45.0000
PRESSURE, KPA 6200.0000 450.0000 450.0000
ENTHALPY, M*KJ/HR 263.1534 134.0240 462.9854
MOLE FRAC VAPOR 1.0000 0.0000 0.4475
MOLE FRAC LIQUID 0.0000 1.0000 0.5525
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EXPANDER PLANT
The demethanizer in an expander plant removes methane from a production gas
stream, to maintain a methane/ethane volumetric ratio of 0.015 in the column liquid
product. A new feed gas stream with a different composition is being brought on
stream, and you must ensure that the same purity specification can be maintained,
and that the new reboiler duty does not exceed the capacity of the unit.
You also need to know what pressure recovery is possible on the methane stream
leaving the plant.
Process Data The flow sheet is shown in Figure G5.1 and the new feed composition is in Table
G5.1.
Figure G5.1
Expander Plant Flow Sheet
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PRO/II APPLICATION BRIEFS EXPANDER PLANT G5-1
February 1991
Table G5.1
Nitrogen 7.91 N-butane 2.44
Methane 73.05 I-pentane 0.69
Ethane 7.68 N-pentane 0.82
Propane 5.69 Hexane 0.42
I-butane 0.99 Heptane 0.31
Flow rate (scfd)
24.4x10
6
Temperature (F)
120.0
Pressure (psig)
588.0

The expander lets the pressure down to 125 psig, which is the working pressure of
the demethanizer column. 90% of the expander work is utilized by the compressor.
The expander efficiency is 80% and the compressor efficiency is 75%.
Methods
and Data
Peng-Robinson is chosen for K-value and enthalpy calculations. It is applicable to
light hydrocarbon systems, and PRO/II includes binary interaction constants to
predict accurate N2/hydrocarbon equilibria. The Lee-Kesler method, specified for
liquid density, works well for hydrocarbon components lighter than about C10.
Simulation
Model
The flow sheet shown in Figure G5.1 is thermally coupled in the gas-gas exchanger
E1. However, you can often eliminate thermal couples and significantly reduce the
computation time, simply by re-ordering the calculation.
The purpose of the chiller is to ensure that the temperature of the flash separator
D1 is constant, and so you know all the process conditions of stream 3. If you start
the calculation at D1, then E1 and E2 can be calculated after the column, and no
iteration is required.
The procedure for this is simple:
1) reference stream 3 to feed stream 100 in the STREAM data section
2) use a SEQUENCE statement to start the calculations with unit D1
3) give the product stream from unit E2 a dummy stream label 3X. Streams 3 and
3X are identical.
The demethanizer is modeled as a conventional distillation column with 10 theoreti-
cal stages, including the reboiler. The reboiler duty is varied to achieve the specified
methane/ethane ratio in the bottom product.
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G5-2 EXPANDER PLANT PRO/II APPLICATION BRIEFS
February 1991
Input Data The problem input data are supplied in standard English units, except that the
pressures are in psig rather than psia. The results, however, are required in SI units
so an OUTDIMENSION statement is used to obtain both English and SI output. The
stream output is requested in both molar and liquid volume units.
The SEQUENCE statement lists the UIDs of the units, in the order in which they will
be calculated. Any units which are not specified on this statement are not calcu-
lated.
No solution method is defined for the demethanizer column, and so the default
Inside-Out (IO) method will be used. The column has no condenser and stream 7
is fed to tray 1.
The DEFINE statement in the compressor specifies that 90% of the work produced
by the expander is used.
Input Data File:

DIMEN PRES=PSIG
OUTD SI,ADD,PRES=BAR
SEQU D1,V1,X1,T1,E1,E2,C1
PRINT RATE=M,LV
COMPONENT DATA
LIBID 1,NITROGEN/2,METHANE /3,ETHANE /4,PROPANE / &
5,IBUTANE /6,BUTANE /7,IPENTANE/8,PENTANE / &
9,HEXANE /10,HEPTANE
THERMODYNAMIC DATA
METHOD SYSTEM=PR,DENSITY(L)=LK
STREAM DATA
PROP STREAM=100,TEMP=120,PRES=588,PHASE=V,RATE(G)=1.0167E+6,&
COMP=1,7.91/2,73.05/3,7.68/4,5.69/5,0.99/6,2.44/&
7,0.69/8,0.82/9,0.42/10,0.31
PROP STREAM=3,REFS=100,TEMP=-84,PRES=573
NAME 100,INLET GAS/11,GAS PRODUCT/9,LIQUID PROD
UNIT OPERATIONS
HX UID=E1,NAME=GAS-GAS EX
HOT FEED=100,V=2,DP=10
OPER HICO=10
HX UID=E2,NAME=CHILLER
HOT FEED=2,V=3X,DP=5
OPER HTEMP=-84
FLASH UID=D1,NAME=SEPARATOR
FEED 3
PROD V=4,L=5
ADIA
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Results The demethanizer column solves with a reboiler duty of 2.5 GJ/hr. The expander
produces 287 kW of work, and 258 kW are used by the compressor. The compres-
sor feed is at 9.29 bar, and the outlet pressure is 12.07 bar. The expander drops
the pressure from 40.5 bar to 9.6 bar.
Conclusions The demethanizer column can meet the purity specification with the new feed stream
as long as the required 2.5 GJ/hr is available for the reboiler. The compressor
recovers 2.78 bar from the expansion of the column feed vapor stream through 30.9
bar.
Output The demethanizer output is in SI units and shows the required duty as well as the
column temperatures and internal flow rates. The expander and compressor
outputs show the isentropic and theoretical calculation results, as well as the actual
performance.
The heat exchanger results are shown in the input (English) units.
The stream component flow rates showing the feed and product streams are
presented in both the molar and liquid volume units.
VALVE UID=V1,NAME=LIQ VALVE
FEED 5
PROD V=6
OPER PRES=125
EXPANDER UID=X1,NAME=EXPANDER
FEED 4
PROD M=7
COLUMN UID=T1, NAME=DEMETHANIZER
PARAM TRAY=10
FEED 7,1/6,3
PROD OVHD=8,500, BTMS=9
HEAT 1,10
VARY HEAT=1
PSPEC TOP=125
ESTI MODEL=CONV
SPEC STREAM=9,RATE(V),COMP=2,RATIO,COMP=3,VALUE=0.015
COMPRESS UID=C1,NAME=COMPRESSOR
FEED 10
PROD V=11
OPER EFF=75
DEFINE WORK AS EXPANDER=X1, WORK MULTIPLIED BY 0.9
END
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February 1991
DEMETHANIZER COLUMN OUTPUT

UNIT 4, T1, DEMETHANIZER
TOTAL NUMBER OF ITERATIONS
IN/OUT METHOD 7
COLUMN SUMMARY
DEG K BAR KG-MOL/HR M*KJ/HR
------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- ------------------------
1 160.8 9.63 48.4 806.1M 996.1V
2 169.6 9.63 39.3 238.3
3 179.4 9.63 305.7 229.3 409.1M
4 179.9 9.63 307.1 86.5
5 180.0 9.63 307.1 88.0
6 180.8 9.63 306.1 87.9
7 185.9 9.63 303.3 86.9
8 207.2 9.63 314.4 84.2
9 240.9 9.63 350.4 95.3
10 269.2 9.63 131.3 219.2L 2.5009
TRAY TRAY FRACTION KG-MOL/HR M*KJ/HR
------------- ------------ ------------ -------- -------- ---------------- ------------------------ ------------------------
FEED 7 MIXED 1 0.0620 806.14 -4.1434
FEED 6 MIXED 3 0.6544 409.12 -3.0491
PRODUCT 8 VAPOR 1 996.09 -4.5430
PRODUCT 9 LIQUID 10 219.16 -0.1479
SPECIFICATIONS
----------------- -------- ------------ ------------------------- -------------------- --------------------
STRM 9 10 2 VOL RATIO 1.500E-02 1.499E-02
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February 1991
EXPANDER AND COMPRESSOR OUTPUT
UNIT 3, X1, EXPANDER

FEEDS 4
PRODUCTS MIXED 7


--------------------- --------------------- ---------------------
TEMPERATURE, K 208.71 154.98 158.37
PRESSURE, BAR 40.52 9.63 9.63
ENTHALPY, M*KJ/HR -3.1092 -4.4020 -4.1434
ENTROPY, KJ/KG-K 164.3970 164.3988 166.4469
WORK, KW
THEORETICAL 359.09
ACTUAL 287.27

UNIT 7, C1, COMPRESSOR

FEEDS 10
PRODUCTS VAPOR 11


--------------------- --------------------- ---------------------
TEMPERATURE, K 316.48 336.28 342.42
PRESSURE, BAR 9.29 12.07 12.07
ENTHALPY, M*KJ/HR 1.0304 1.7279 1.9604
ENTROPY, KJ/KG-MOL-K 194.6615 194.6616 195.3494
CP, KJ/KG-MOL-K 37.0346 38.1747
CV, KJ/KG-MOL-K 28.0197 29.1108
CP/(CP-R) 1.2895 1.2784
CP/CV 1.3217 1.3114
HEAD, M
ADIABATIC 4102.30
POLYTROPIC 4145.14
ACTUAL 5469.74
WORK, KW
THEORETICAL 193.75
POLYTROPIC 195.77
ACTUAL 258.33
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February 1991
HEAT EXCHANGER OUTPUT
UNIT 5, E1, GAS-GAS EX

DUTY, MM BTU/HR 5.283
LMTD, F 58.254
F FACTOR (FT) 1.000
MTD, F 58.254
U*A, BTU/HR-F 90681.305
HOT SIDE CONDITIONS INLET OUTLET
--------------------- ---------------------
FEED 100
MIXED PRODUCT 2
VAPOR, LB-MOL/HR 2679.187 2375.275
M LB/HR 60.307 46.742
CP, BTU/LB-F 0.546 0.569
LIQUID, LB-MOL/HR 303.912
M LB/HR 13.565
CP, BTU/LB-F 0.571
TOTAL, LB-MOL/HR 2679.187 2679.187
M LB/HR 60.307 60.307
CONDENSATION, LB-MOL/HR 303.912
TEMPERATURE, F 120.000 7.421
PRESSURE, PSIG 588.000 578.000
COLD SIDE CONDITIONS INLET OUTLET
--------------------- ---------------------
FEED 8
VAPOR PRODUCT 10
VAPOR, LB-MOL/HR 2196.011 2196.011
M LB/HR 38.210 38.210
CP, BTU/LB-F 0.515 0.508
TOTAL, LB-MOL/HR 2196.011 2196.011
M LB/HR 38.210 38.210
TEMPERATURE, F -170.170 110.000
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February 1991
(Molar)
STREAM ID 9 10 11 100
NAME LIQUID PROD GAS PRODUCT INLET GAS

1 NITROGEN 1.2340E-08 96.1271 96.1271 96.1269
2 METHANE 1.8788 885.8679 885.8679 887.7458
3 ETHANE 79.4449 13.8866 13.8866 93.3318
4 PROPANE 68.9393 0.2085 0.2085 69.1482
5 IBUTANE 12.0292 0.0018 0.0018 12.0311
6 BUTANE 29.6510 0.0011 0.0011 29.6523
7 IPENTANE 8.3852 1.3505E-05 1.3505E-05 8.3853
8 PENTANE 9.9651 5.4456E-06 5.4456E-06 9.9651
9 HEXANE 5.1041 4.5556E-08 4.5556E-08 5.1041
10 HEPTANE 3.7673 4.6990E-10 4.6990E-10 3.7673
TOTAL RATE, KG-MOL/HR 219.1648 996.0930 996.0930 1215.2578
TEMPERATURE, K 269.1954 316.4834 342.4180 322.0389
PRESSURE, BAR 9.6317 9.2870 12.0703 41.5544
ENTHALPY, M*KJ/HR -0.1479 1.0304 1.9604 4.6986
MOLE FRAC VAPOR 0.0000 1.0000 1.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0000 0.0000 0.0000
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February 1991
(Volume)
STREAM ID 9 10 11 100
NAME LIQUID PROD GAS PRODUCT INLET GAS

FLUID RATES, M3/HR
1 NITROGEN 4.2817E-10 3.3355 3.3355 3.3355
2 METHANE 0.1006 47.4200 47.4200 47.5205
3 ETHANE 6.7095 1.1728 1.1728 7.8823
4 PROPANE 5.9937 0.0181 0.0181 6.0119
5 IBUTANE 1.2429 1.8979E-04 1.8979E-04 1.2431
6 BUTANE 2.9520 1.1440E-04 1.1440E-04 2.9521
7 IPENTANE 0.9725 1.5663E-06 1.5663E-06 0.9725
8 PENTANE 1.1406 6.2328E-07 6.2328E-07 1.1406
9 HEXANE 0.6631 5.9183E-09 5.9183E-09 0.6631
10 HEPTANE 0.5491 6.8488E-11 6.8488E-11 0.5491
TOTAL RATE, M3/HR 20.3239 51.9468 51.9468 72.2707
TEMPERATURE, K 269.1954 316.4834 342.4180 322.0389
PRESSURE, BAR 9.6317 9.2870 12.0703 41.5544
ENTHALPY, M*KJ/HR -0.1479 1.0304 1.9604 4.6986
MOLE FRAC VAPOR 0.0000 1.0000 1.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0000 0.0000 0.0000
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February 1991
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February 1991
THREE STAGE LETDOWN
The dissolved gases in crude oil from a well are released as the pressure drops and
must be removed in order to avoid storage and transportation difficulties. To
minimize oil loss,it is removed in several stages, recompressing vapor and recycling
liquid which drops out.
You must simulate the three-stage letdown process to determine how much gas will
be produced and calculate the crude oil flow rate for transportation. The true vapor
pressure (TVP) of the oil product must not exceed 14.7 psia, to ensure that no vapor
flashes off.
Cooling water for the compressor aftercoolers is available at 70 F and is allowed to
rise 30 F. You must determine how much cooling water is required.
Process Data The flow sheet for the three stage process is shown in Figure G6.1. The feed
consists of water, pure hydrocarbons, and petroleum fractions as shown in Table
G6.1.
Figure G6.1
Three Stage Letdown Flow Sheet
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PRO/II APPLICATION BRIEFS THREE STAGE LETDOWN G6-1
February 1991
Table G6.1
Water
3000
Cut 11
165
CO2
35
Cut 12
303
N2
30
Cut 13
560
C1
890
Cut 14
930
C2
300
Cut 15
300
C3
520
Cut 16
300
iC4
105
Cut 17
300
nC4
283
Cut 18
280
iC5
100
Cut 19
260
nC5
133
Temperature (F)
150
Pressure (psia)
1000
The first stage flash is at 300 psia and 200 F. The second stage is adiabatic at 200
psia. The third stage is also adiabatic, but the pressure is calculated in order to
meet the TVP specification.
60% of the free water in stage 1 is removed from the process. The remainder is
removed from the following flashes. The compressor outlets are cooled to 120 F,
and the liquid portions are recycled to the third stage flash.
The vapor from stages 2 and 3 are recompressed to 97 and 297 psia respectively.
The final product gas is produced at 297 psia.
Methods
and Data
The crude oil has been characterized in the laboratory into nine petroleum fractions,
with the properties listed in Table G6.2. The data are entered with the PETRO
statement, and all other properties are are estimated from the given data, using
standard petroleum correlations.
Equilibrium K-values, enthalpies, and vapor densities are calculated using the
Soave-Redlich-Kwong (SRK) equation of state. This method is applicable over a
wide range of temperature, pressure, and composition. The API Data Book method
is automatically selected for liquid densities with the SRK system. This method
gives good results for hydrocarbon liquid streams which do not contain large
amounts of methane or ethane.
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G6-2 THREE STAGE LETDOWN PRO/II APPLICATION BRIEFS
February 1991
Table G6.2
PETROLEUM FRACTION PROPERTIES
Fraction Molecular Wt. API Grav. NBP (F)
Cut11
91
64 180
Cut12
100
61 210
Cut13
120
55 280
Cut14
150
48 370
Cut15
200
40 495
Cut16
245
35 590
Cut17
300
30 687
Cut18
360
26 770
Cut19
430
22 865
Simulation
Model
The TVP specification is the vapor pressure of the liquid at a defined temperature.
The most widely used temperature is 100 F and this is the default in PRO/II. Different
temperatures may be defined with the TVPBASIS entry on the CALC statement in
General Data.
The pressure of the final letdown stage (VAL2) is varied using a controller to meet
the TVP specification on the liquid product. The initial pressure defined for VAL2 is
a first estimate.
The calculation requires recycle and controller loops. Computation time is reduced
by modeling the compressors as isothermal flashes within the loops. After the
recycle and controller have solved, the compressors and aftercoolers are rigorously
modeled to determine horsepowers and duties. No initial estimates are required for
the recycles.
In order to calculate the cooling water requirements, separate heat exchanger
models are used instead of the built-in compressor aftercoolers.
Input Data No dimensional units are defined for this simulation, so they default to the standard
set of English units.
The free water is decanted from the first stage flash, and 60% is removed by the
splitter unit. The remainder of the water is fed to the second stage.
The controller specifies that the TVP of the oil must be 14.7 with an absolute
tolerance of 0.1. The variable is defined as the pressure of unit VAL2. The
convergence of the controller is handled automatically.
The flashes C1+ and C2+ replace the compressors and aftercoolers during recycle
trials. A stream may feed more than one unit operation, and so the feeds to C1+
and C2+ are also fed to the rigorous compressor models. The products from the
aftercoolers do not feed other units ,and so the program only calculates the
compressors and aftercoolers after the recycle has converged.
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February 1991
The cooling water required in the aftercoolers is calculated when WATER is
specified with the UTILITY statement. The inlet and outlet water temperatures are
supplied, and the quantity is calculated from the heat balance.
Input Data File:
DIME LIQVOL=BBL
COMPONENT DATA
LIBID 1,WATER/2,CO2/3,N2/4,C1/5,C2/6,C3/&
7,IC4/8,NC4/9,IC5/10,NC5
PETRO 11,CUT11, 91,64,180/12,CUT12,100,61,210/ &
13,CUT13,120,55,280/14,CUT14,150,48,370/ &
15,CUT15,200,40,495/16,CUT16,245,35,590/ &
17,CUT17,300,30,687/18,CUT18,360,26,770/ &
19,CUT19,430,22,865
THERMODYNAMIC DATA
METHODS SYSTEM=SRK
STREAM DATA
COMP=1,3000/2,35/3,30/4,890/5,300/6,520/7,105/8,283/&
9,100/10,133/11,165/12,303/13,560/14,930/15,300/&
16,300/17,300/18,280/19,260
NAME 100,OIL FEED/105,OIL PRODUCT/110,GAS PRODUCT
UNIT OPERATIONS
FLASH UID=D-1,NAME=STAGE 1
FEED 100
PROD V=20,L=2,W=W1
ISO TEMP=200,PRES=300
SPLITTER UID=SPL1,NAME=WATER SPLIT
FEED W1
PROD M=SW1,M=SW2
OPER PRES=300
SPEC STREAM=SW1,RATE,RATIO,REFFEED,VALUE=0.4
FLASH UID=VAL1,NAME=STAGE 2
FEED 2,SW1
PROD V=21,L=3,W=W2
ADIA PRES=100
FLASH UID=VAL2,NAME=STAGE 3
FEED 3,10,9,11
PROD V=22,L=105,W=W3
ADIA PRES=16.7
HX UID=HX-1
HOT FEED=22,V=24,L=11,W=W5,DP=3
SPEC HOT,TEMP=120
UTILITY WATER,TIN=70,TEMP=100
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February 1991
Results The gas product dry flow rate is 715,789 ft
3
/hr, and the oil production is 2498 bbl/hr.
The final stage pressure which gives the required oil TVP is 35.7 psia.
The cooling water required by stages 1 and 2 is 83,124 and 112,554 lb/hr respec-
tively (simulation output not shown here).
Conclusions This simulation has provided all the necessary information. The model could now
be used to investigate if different letdown and/or compressor conditions could
improve the oil product rate.
Output The flash drum summary shows the conditions in each letdown and compression
stage. The full details of the second stage compressor and aftercooler appear on
the compressor and heat exchanger output. The aftercooler details show the cooling
water requirement.
A portion of the stream property output showing the feed and product streams is
presented.
FLASH UID=C1+,NAME=1ST COMPRESSOR
FEED 24,21
PROD V=27,L=10
ISO TEMP=120,PRES= 97
FLASH UID=C2+,NAME=2ND COMPRESSOR
FEED 27,20
PROD V=110,L=9
CONTROL UID=CON1,NAME=TVP CONTROL
SPEC STREAM=105,TVP,VALUE=14.7,ATOL=0.1
VARY FLASH=VAL2,PRES
COMPRESS UID=COM1
FEED 24
PROD V=25
HX UID=HX-2,NAME=COM1 COOLER
HOT FEED=25,21,V=27A,L=10A,DP=3
OPER HTEMP=120
COMPRESS UID=COM2
FEED 27
PROD V=28
HX UID=HX-3,NAME=COM2 COOLER
HOT FEED=28,20,V=110A,L=9A,DP=3
OPER HTEMP=120
END
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February 1991
FLASH SUMMARY
FLASH ID D-1 VAL1 VAL2 C1+
NAME STAGE 1 STAGE 2 STAGE 3 1ST COMPRESS

FEEDS 100 2 3 24
SW1 10 21
9
11
PRODUCTS VAPOR 20 21 22 27
LIQUID 2 3 105 10
WATER W1 W2 W3
TEMPERATURE, F 200.000 192.986 178.680 120.000
PRESSURE, PSIA 300.000 100.000 35.739 97.000
PRESSURE DROP, PSI 700.000 200.000 -3.000 -64.261
MOLE FRAC VAPOR 0.12747 0.10070 0.12468 0.89502
MOLE FRAC TOTAL LIQUID 0.87253 0.89930 0.87532 0.10498
MOLE FRAC H/C LIQUID 0.54115 0.71095 0.87312 0.04236
MOLE FRAC FREE WATER 0.33139 0.18835 0.00220 0.06261
DUTY, MM BTU/HR 25.17655 0.00000 0.00000 -2.52528
FLASH TYPE ISOTHERMAL ADIABATIC-P ADIABATIC-P ISOTHERMAL
FLASH ID C2+
NAME 2ND COMPRESS

FEEDS 27
20
PRODUCTS VAPOR 110
LIQUID 9
PRESSURE DROP, PSI -200.000
MOLE FRAC VAPOR 0.91846
MOLE FRAC TOTAL LIQUID 0.08154
MOLE FRAC H/C LIQUID 0.05822
MOLE FRAC FREE WATER 0.02332
DUTY, MM BTU/HR -3.47833
FLASH TYPE ISOTHERMAL
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February 1991
STAGE 2 COMPRESSOR
UNIT 11, COM2

FEEDS 27

PRODUCTS VAPOR 28


--------------------- --------------------- ---------------------
TEMPERATURE, F 120.00 209.16 234.87
PRESSURE, PSIA 97.00 300.00 300.00
ENTHALPY, MM BTU/HR 6.8129 8.0100 8.5230
ENTROPY, BTU/LB-MOL-F 55.7960 55.7961 56.5927
CP, BTU/LB-MOL-F 17.9093 21.3113
CV, BTU/LB-MOL-F 15.3146 17.9144
CP/(CP-R) 1.1247 1.1028
CP/CV 1.1694 1.1896
MOLE PERCENT H/C LIQUID 0.0000 0.0000 0.0000
MOLE PERCENT WATER 0.0000 0.0000 0.0000
ACT VAP RATE, M FT3/MIN 0.9457
HEAD, FT
ADIABATIC 25141.32
POLYTROPIC 26115.78
ACTUAL 35916.16
WORK, HP
THEORETICAL 470.46
POLYTROPIC 488.69
ACTUAL 672.08

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February 1991
STAGE 2 AFTERCOOLER
UNIT 12, HX-3, COM2 COOLER

LMTD, F 79.259
F FACTOR (FT) 1.000
MTD, F 79.259
U*A, BTU/HR-F 65461.090
--------------------- ---------------------
FEEDS 28
20
LIQUID PRODUCT 9A
VAPOR PRODUCT 110A
VAPOR, LB-MOL/HR 2065.396 1896.986
M LB/HR 66.502 58.389
CP, BTU/LB-F 0.531 0.503
M LB/HR 7.244
CP, BTU/LB-F 0.616
WATER, LB-MOL/HR 48.163
M LB/HR 0.868
CP, BTU/LB-F 0.996
TOTAL, LB-MOL/HR 2065.396 2065.396
M LB/HR 66.502 66.502
PRESSURE, PSIA 300.000 297.000

--------------------- ---------------------
COOLING WATER, LB/HR 172946.125 172946.125
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February 1991
STREAM PROPERTIES OUTPUT
STREAM ID 28 100 105 110
NAME OIL FEED OIL PRODUCT GAS PRODUCT
PHASE WET VAPOR WET LIQUID WET LIQUID WET VAPOR

--------- TOTAL STREAM ---------
RATE, LB-MOL/HR 944.442 8793.999 3932.193 1896.986
M LB/HR 37.038 830.134 718.323 58.389
TEMPERATURE, F 234.871 150.000 178.680 120.000
PRESSURE, PSIA 300.000 1000.000 35.739 297.000
BTU/LB 230.114 35.964 40.733 146.561
MOLE FRACTION LIQUID 0.00000 1.00000 1.00000 0.00000
MOLE FRACTION FREE WATER 0.00000 0.33870 0.00000 0.00000
--------- TOTAL VAPOR ------------
RATE, LB-MOL/HR 944.442 N/A N/A 1896.986
M LB/HR 37.038 N/A N/A 58.389
M FT3/HR 20.872 N/A N/A 35.127
STD VAP RATE(1), M FT3/HR 358.397 N/A N/A 719.870
MOLECULAR WEIGHT 39.217 N/A N/A 30.780
ENTHALPY, BTU/LB 230.114 N/A N/A 146.561
CP, BTU/LB-F 0.543 N/A N/A 0.503
DENSITY, LB/M FT3 1774.529 N/A N/A 1662.237
--------- TOTAL LIQUID ---------
RATE, LB-MOL/HR N/A 8793.999 3932.193 N/A
M LB/HR N/A 830.134 718.323 N/A
BBL/HR N/A 3182.665 2647.934 N/A
GAL/MIN N/A 2227.858 1853.548 N/A
STD LIQ RATE, BBL/HR N/A 3037.827 2498.861 N/A
MOLECULAR WEIGHT N/A 94.398 182.677 N/A
ENTHALPY, BTU/LB N/A 35.964 40.733 N/A
CP, BTU/LB-F N/A 0.549 0.522 N/A
DENSITY, LB/BBL N/A 260.830 271.277 N/A
(1) STD VAPOR VOLUME IS 379.48 FT3/LB-MOLE (60 F AND 14.696 PSIA)
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February 1991
STREAM PROPERTIES OUTPUT (Cont)
STREAM ID 28 100 105 110
NAME OIL FEED OIL PRODUCT GAS PRODUCT
PHASE WET VAPOR WET LIQUID WET LIQUID WET VAPOR

------------ DRY STREAM ------------
RATE, LB-MOL/HR 928.047 5794.000 3907.521 1886.231
M LB/HR 36.743 776.089 717.878 58.196
STD LIQ RATE, BBL/HR 217.641 2883.415 2497.591 385.751
REDUCED TEMP (KAYS RULE) 1.1716 0.6359 0.5413 1.1548
PRES (KAYS RULE) 0.4782 2.2613 0.1044 0.4574
ACENTRIC FACTOR 0.1238 0.3662 0.5022 0.0844
WATSON K (UOPK) 15.094 12.296 12.000 15.956
STD LIQ DENSITY, LB/BBL 168.824 269.156 287.429 150.863
SPECIFIC GRAVITY 0.4821 0.7687 0.8208 0.4308
API GRAVITY 161.989 52.586 40.883 196.928
------------ DRY VAPOR -------------
M LB/HR 36.743 N/A N/A 58.196
M FT3/HR 20.467 N/A N/A 34.902
STD VAP RATE(1), M FT3/HR 352.176 N/A N/A 715.789
SPECIFIC GRAVITY (AIR=1.0) 1.367 N/A N/A 1.065
Z (FROM K) 0.8876 N/A N/A 0.8834
CP, BTU/LB-F 0.543 N/A N/A 0.505
DENSITY, LB/M FT3 1795.257 N/A N/A 1667.374
------------ DRY LIQUID ------------
RATE, LB-MOL/HR N/A 5794.000 3907.521 N/A
M LB/HR N/A 776.089 717.878 N/A
BBL/HR N/A 3025.374 2646.628 N/A
GAL/MIN N/A 2117.755 1852.634 N/A
STD LIQ RATE, BBL/HR N/A 2883.415 2497.591 N/A
SPECIFIC GRAVITY (H2O=1.0) N/A 0.7687 0.8208 N/A
MOLECULAR WEIGHT N/A 133.947 183.717 N/A
Z (FROM K) N/A 0.5399 0.0245 N/A
CP, BTU/LB-F N/A 0.518 0.522 N/A
DENSITY, LB/BBL N/A 256.527 271.243 N/A
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February 1991
GAS DEHYDRATION
USING TEG
Gas dehydration is being performed by an existing TEG plant currently in operation.
You wish to model the operation of this plant based on recent plant test data in order
to estimate annual TEG vaporization losses.
Process Data The process flowsheet for the TEG dehydration system is shown in Figure G7.1. The
feed to this system is 39 MMSCFD of wet gas (21.5 pounds of water per MMSCF of
wet gas) at 80 F and 720 psig.
This feed stream is synthesized by mixing the hydrocarbon gas on a dry basis (stream
1G) with water (stream 1W) to yield the actual wet gas feed (stream 1"). The
Stream Data specifications consist of the composition and thermal condition of the
two feed streams (streams 1G" and 1W) and the recycle stream (stream 3"):
Table G7.1
Feed Stream Information
Stream ID
Stream Name
1G
Gas Mix
1W
Water Mix
3
Lean TEG
Stream
Components
Mole
Percent lb/day
Weight
Percent
1 CO2
1.365 0.00 0.000
2 H2S
1.700 0.00 0.000
3 C1
88.140 0.00 0.000
4 C2
6.410 0.00 0.000
5 C3
1.710 0.00 0.000
6 IC4
0.181 0.00 0.000
7 NC4
0.239 0.00 0.000
8 IC5
0.069 0.00 0.000
9 NC5
0.071 0.00 0.000
10 NC6
0.054 0.00 0.000
11 NC7
0.061 0.00 0.000
12 H2O
0.000 838.50 1.400
13 TEG
0.000 0.00 98.600
Input Units
Stream Rate
SCFD
39.0E+6
lb/day
838.50
gal/hr
600.000
Temperature (F)
Pressure (psig)
80
720
80
720
130
720
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PRO/II APPLICATION BRIEFS GAS DEHYDRATION USING TEG G7-1
February 1992
Methods
and Data The system keyword GLYCOL is used to select equilibrium and enthalpy data for the
dehydration calculations. This is a special data package provided in PRO/II specifi-
cally for glycol dehydration systems. The data in this package have been fitted over
a range of typical temperatures and pressures for TEG dehydration systems.
The GLYCOL package is based on TEG solutions which are typically used in
dehydration operations (98+ percent TEG by weight). Note that ideal flowing
densities are selected for the TEG solutions.
Simulation
Model
The TEG plant process flowsheet is shown in Figure G7.1. The corresponding PRO/II
simulation flow diagram is shown in Figure G7.2.
Figure G7.1
TEG Plant Flowsheet
Figure G7.2
Simulation Flowsheet for TEG Process
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G7-2 GAS DEHYDRATION USING TEG PRO/II APPLICATION BRIEFS
February 1992
The standard convergence criteria have been modified to ensure that the trace
recycle component (water) will be tested for closure. Convergence of the recycle
stream (lean TEG, stream 3") is enhanced by specifying the recycle stream tem-
perature (see Cooler" heat exchanger specification). This is good simulation prac-
tice and also corresponds well to actual operations.
The actual feed stream is synthesized as mentioned above by isothermal mixing of
the water and natural gas portions of the feed stream in a flash module.
The Stream Data Category also includes specifications to:
Speed convergence by utilizing the reference stream feature to relate heat
exchanger inlet and outlet streams.
Establish a user-defined output format.
Name the principal process streams.
A contactor model using three theoretical trays or equilibrium stages is used to match
actual plant data accurately.
The regenerator is modeled by feeding the warm, rich glycol to tray one. If it is desired
to furnish a condenser, the reflux rate should be specified and the condenser duty
calculated. The reboiler temperature is specified, which sets the lean TEG concen-
tration.
The Inside/Out (I/O) method is used for both the contactor and the regenerator.
Regenerators in which stripping gas is injected may also be modeled. External
stripping columns may be modeled with two or three equilibrium stages.
A Stream Calculator utility module is used to create the make-up TEG stream. TEG
losses in the plant outlet streams (treated gas----stream 2", flash gas----stream 7",
and water vapor----stream 11") are summed to determine the required TEG make-up.
Input Data The standard stream summary is suppressed (Note 1) and a user-defined output
format is used to generate special reports instead (Note 2). Note the tightening of
the trace component tolerance for the recycle streams (Note 3) and the use of the
Stream Calculator utility module (Note 4) as discussed above.
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February 1992
Input Data File
TITLE PROJECT=APPBRIEF,PROBLEM=G7, &
USER=SIMSCI,DATE=01/30/92
DESC GAS DEHYDRATION USING TEG
DIMEN ENGLISH
PRINT STREAM=COMP,INPUT=NONE $NOTE 1
DBASE DATA=PC1,IDATA=3,SDATA=G7AMC
TOLER STREAM=0.01,,0.0005 $NOTE 3
COMPONENT DATA
LIBID 1,CO2/2,HYSULFID/3,METHANE/4,ETHANE/ &
5,PROPANE/6,IBUTANE/7,BUTANE/8,IPENTANE/ &
9,PENTANE/10,HEXANE/11,HEPTANE/12,H2O/ &
13,TEG
THERMODYNAMIC DATA
METHOD KVALUE(VLE)=SRKM,ENTH(V)=SRKM,ENTH(L)=SRKM, &
ENTR(V)=SRKM,ENTR(L)=SRKM,DENS(V)=SRKM, &
DENS(L)=IDEA,SET=SET01,DEFAULT
KVALUE(VLE) BANK=GLYCOL,SIMSCI
STREAM DATA
PROP STREAM=1G,TEMP=80,PRES=720,PHASE=M, &
RATE(GV,FT3/DAY)=39.0e+006, &
COMP(M)=1,1.365/2,1.7/3,88.14/4,6.41/ &
5,1.711/6,0.181/7,0.239/8,0.069/ &
9,0.071/10,0.054/11,0.061,NORMALIZE
PROP STREAM=1W,TEMP=80,PRES=720,PHASE=M, &
COMP(WT,LB/DAY)=12,838.5
PROP STREAM=3,TEMP=130,PRES=720,PHASE=M, &
RATE(LV)=600, &
COMP(WT)=12,1.4/13,98.6,NORMALIZE
PROP STREAM=6,REFS=4,TEMP=170,PRES=50
NAME 1G,GAS MIX/1W,WATER MIX/3,LEAN TEG/ &
6,FLASH FEED/10,RICH TO REG/8,FLASH LIQUID/ &
11,OFF GAS/15,MAKEUP TEG/2,DRY GAS/ &
4,RICH TEG/7,FLASH GAS/12,HOT LEAN/ &
1,WET GAS
OUTPUT FORMAT=1,STRM=1,3,2,4, & $NOTE 2
DESC=CONTACTOR STREAMS
OUTPUT FORMAT=1,STRM=10,11,12, &
DESC=REGENERATOR STREAMS
OUTPUT FORMAT=1,STRM=6,7,8, &
DESC=FLASH TANK STREAMS
FORMAT IDNO=1,NAME,PHASE,TEMP,PRES,CRATE, &
RATE,LINE,CRATE(WT),RATE(WT),LINE,VAPOR, &
RATE(GV,FT3/DAY),MW,DENSITY(LB/FT3), &
LIQUID,RATE(LV,GAL/MIN),SPGR, &
DENSITY(LB/FT3)
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February 1992
UNIT OPERATIONS
FLASH UID=1,NAME=FEED MIX
FEED 1G,1W
PROD V=1
COLUMN UID=2,NAME=CONTACTOR
PARAM TRAY=3,IO=30
FEED 3,1/1,3,NOTSEP
PRINT PROP=PART,ITER=PART,XYDATA
ESTI MODEL=CONVENTIONAL
FLASH UID=3,NAME=FLASH TANK
FEED 6
PROD V=7,L=8
ADIA DP=0
COLUMN UID=4,NAME=REGENERATOR
PARAM TRAY=3,IO=30
FEED 10,1,NOTSEP
DUTY 1,3
PSPEC TOP=0.1,DPCOL=1
SPEC COLUMN=4,TRAY=3,TEMP, *
VALUE=400
VARY DUTY=1
HX UID=5,NAME=LEAN-RICH 1
HOT FEED=12,L=13,DP=0.1
COLD FEED=8,L=10,DP=10
OPER CTEMP=240
CONFIG TPASS=1,SPASS=1
VALVE UID=6,NAME=LIQ VALVE
FEED 4
PROD V=5
OPER PRES=60
HX UID=7,NAME=LEAN-RICH 2
HOT FEED=13,L=14,DP=0.1
OPER CTEMP=170
STCALC UID=8,NAME=MAKEUP TEG $NOTE 4
FEED 2,1.0000/7,1.0000/11,1.0000
PROD L=15,PRES=1,TEMP=80
FPROD 1,12,0.0/13,13,1.0
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February 1992
PUMP UID=9,NAME=GLYCOL PUMP
FEED 14,15
PROD L=16
OPER PRESS=730
HX UID=10,NAME=COOLER
HOT FEED=16,L=3,DP=10
OPER HTEMP=130
END

Results The recycle loop converged in three iterations. The regenerator duty is 0.63 MM
Btu/hr, the glycol pump hydraulic horsepower is 4.6 hp and the duties for the
Lean-Rich 1", Lean-Rich 2", and Cooler heat exchangers are 0.25 MM Btu/hr,
0.32 MM Btu/hr, and 0.38 MM Btu/hr respectively. The make-up TEG flowrate is
0.014 Lbmole/hr.
Conclusions The natural gas stream is dehydrated from a water content of 21.5 pounds of water
per MMSCF of gas to 2.8 pounds of water per MMSCF of gas with a 10 gpm lean
TEG flowrate to the contactor. Annual TEG vaporization losses will be approximately
1900 gallons per year based on a 97% operating factor (excluding losses due to
entrainment or upsets in column operation).
Output Partial results are shown below for the simulation input given above. Note the stream
data output printed in the user-defined format for the contactor streams, regenerator
streams, and flash tank streams. The standard component flow report was also
requested, but is not shown.
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February 1992
Flash Summary
FLASH ID 1 3
NAME FEED MIX FLASH TANK

FEEDS 1G 6
1W

PRODUCTS VAPOR 1 7
LIQUID 8

PRESSURE DROP, PSI 0.000 0.000
MOLE FRAC VAPOR 1.00000 0.04054
MOLE FRAC LIQUID 0.00000 0.95946
DUTY, MM BTU/HR 0.03642 0.00000
FLASH TYPE ISOTHERMAL ADIABATIC-P
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February 1992
Lean TEG Trim Cooler

UNIT 10, 10, COOLER



------------------------ ------------------------
FEED 16
LIQUID PRODUCT 3
LIQUID, LB-MOL/HR 40.751 40.751
M LB/HR 5.628 5.628
CP, BTU/LB-F 0.623 0.562
TOTAL, LB-MOL/HR 40.751 40.751
M LB/HR 5.628 5.628

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February 1992
Regenerator Feed/Bottoms Exchanger
UNIT 5, 5, LEAN-RICH 1


LMTD, F 162.558
F FACTOR (FT) 1.000
MTD, F 162.558
U*A, BTU/HR-F 1486.067

------------------------ ------------------------
FEED 12
LIQUID PRODUCT 13
M LB/HR 5.626 5.626
CP, BTU/LB-F 0.662 0.662
M LB/HR 5.626 5.626

------------------------ ------------------------
FEED 8
MIXED PRODUCT 10
VAPOR, LB-MOL/HR 0.166
M LB/HR 5.619E-03
CP, BTU/LB-F 0.358
M LB/HR 5.710 5.704
CP, BTU/LB-F 0.586 0.620
M LB/HR 5.710 5.710
VAPORIZATION, LB-MOL/HR 0.166
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February 1992
Rich/Lean TEG Exchanger
UNIT 7, 7, LEAN-RICH 2


LMTD, F 169.061
F FACTOR (FT) 1.000
MTD, F 169.061
U*A, BTU/HR-F 1683.016

------------------------ ------------------------
FEED 13
LIQUID PRODUCT 14
M LB/HR 5.626 5.626
CP, BTU/LB-F 0.662 0.625
M LB/HR 5.626 5.626

------------------------ ------------------------
FEED 5
MIXED PRODUCT 6
VAPOR, LB-MOL/HR 1.331 1.850
M LB/HR 0.032 0.052
CP, BTU/LB-F 0.421 0.398
M LB/HR 5.729 5.710
CP, BTU/LB-F 0.548 0.586
M LB/HR 5.761 5.761
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February 1992
Stream Calculator Summary

UNIT 8, 8, MAKEUP TEG

FEEDS STREAM ID FACTOR

2 1.000

TOTAL RATE, LB-MOL/HR 4279.185
PRESSURE, PSIG 720.000
MOLECULAR WEIGHT 18.4446
MOL FRAC VAPOR 1.00000
MOL FRAC TOTAL LIQUID 0.00000
MOL FRAC MW SOLID 0.00000
ENTHALPY, MM BTU/HR 3.13391

7 1.000


11 1.000


PRODUCTS OVERHEAD BOTTOMS ALTERNATE
PRODUCT
15
LIQUID

TOTAL RATE, LB-MOL/HR N/A N/A 1.225E-02
TEMPERATURE, F N/A N/A 80.000
PRESSURE, PSIG N/A N/A 1.000
PRESSURE DROP, PSI N/A N/A -0.900
ENTHALPY, MM BTU/HR N/A N/A 2.17832E-05
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February 1992
Contactor Column Output

UNIT 2, 2, CONTACTOR


IN/OUT METHOD 11

COLUMN SUMMARY

---------------------------- NET FLOW RATES ------------------------ HEATER
---------------- ---------------- -------------------- -------------------- -------------------- -------------------- ------------------------ ------------
------------
1 84.2 720.00 43.8 40.8L 4279.2V
2 81.0 720.00 44.0 4282.2
3 80.7 720.00 4282.4 4284.1V 45.6L


TRAY TRAY FRAC LB-MOL/HR MM BTU/HR
-------------------- -------------------- ---------------- ------------ -------- ---------------- ---------------------------- ------------------------
----
FEED 3 LIQUID 1 1.0000 40.75 0.2312
FEED 1 VAPOR 3 0.0000 4284.07 2.9832
PROD 2 VAPOR 1 4279.18 3.1339
PROD 4 LIQUID 3 45.64 0.0805

OVERALL MOLE BALANCE, (FEEDS - PRODUCTS) 8.5003E-05
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February 1992
Regenerator Column Output
UNIT 4, 4, REGENERATOR


IN/OUT METHOD 36

COLUMN SUMMARY

---------------- ---------------- -------------------- -------------------- -------------------- -------------------- ------------------------ ------------
------------
1 271.5 0.10 49.5 43.8M 3.0V
2 299.5 0.60 54.0 8.8
3 400.0 1.10 13.3 40.7L 0.6207


---------------- ------------------------ ---------------- ------------ ------------ ---------------- ---------------------------- --------------------
------------
FEED 10 MIXED 1 0.9747 43.79 0.5969
PROD 11 VAPOR 1 3.05 0.0500
PROD 12 LIQUID 3 40.74 1.1676


SPECIFICATIONS

---------------------------------------- ------------ ------------ -------------------------------- ---------------------------- ------------------------
TRAY LIQ 3 TEMPERATURE 4.000E+02 4.000E+02
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February 1992
User-Defined Stream Output
CONTACTOR STREAMS FEBRUARY 1992
========================================================================
======

STREAM ID 1 3 2 4
NAME WET GAS LEAN TEG DRY GAS RICH TEG
PHASE VAPOR LIQUID VAPOR LIQUID

NAME WET GAS LEAN TEG DRY GAS RICH TEG
PHASE VAPOR LIQUID VAPOR LIQUID
TEMPERATURE, F 80.00 130.00 84.23 80.71
PRESSURE, PSIG 720.000 720.000 720.000 720.000
COMP. MOLE RATES,
LB-MOL/HR
1 CO2 58.4505 1.9157E-07 58.2587 0.1918
2 HYSULFID 72.7955 2.4518E-04 71.2594 1.5364
3 METHANE 3774.2346 2.7905E-09 3773.3418 0.8927
4 ETHANE 274.4820 2.2360E-08 274.2449 0.2371
5 PROPANE 73.2666 5.4225E-08 73.1515 0.1151
6 IBUTANE 7.7506 1.0352E-06 7.7068 0.0438
7 BUTANE 10.2342 4.7009E-06 10.1518 0.0824
8 IPENTANE 2.9546 2.7699E-08 2.9460 8.6669E-03
9 PENTANE 3.0403 4.9763E-08 3.0292 0.0111
10 HEXANE 2.3123 1.8677E-06 2.2833 0.0290
11 HEPTANE 2.6121 3.9187E-05 2.5659 0.0462
12 H2O 1.9394 3.7213 0.2442 5.4164
13 TEG 0.0000 37.0296 1.2545E-03 37.0283
RATE, LB-MOL/HR 4284.0728 40.7511 4279.1846 45.6392

COMP. WT. RATES, LB/HR
1 CO2 2572.4082 8.4311E-06 2563.9666 8.4420
2 HYSULFID 2480.7993 8.3556E-03 2428.4504 52.3574
3 METHANE 60550.0430 4.4767E-08 60535.7227 14.3220
4 ETHANE 8253.6738 6.7236E-07 8246.5430 7.1310
5 PROPANE 3230.8359 2.3912E-06 3225.7600 5.0765
6 IBUTANE 450.4949 6.0168E-05 447.9502 2.5448
7 BUTANE 594.8524 2.7323E-04 590.0611 4.7917
8 IPENTANE 213.1804 1.9985E-06 212.5551 0.6253
9 PENTANE 219.3595 3.5904E-06 218.5577 0.8018
10 HEXANE 199.2719 1.6096E-04 196.7701 2.5019
11 HEPTANE 261.7456 3.9268E-03 257.1194 4.6302
12 H2O 34.9376 67.0384 4.3987 97.5769
13 TEG 0.0000 5560.8760 0.1884 5560.6904
RATE, LB/HR 79061.6016 5627.9272 78928.0391 5761.4922

*** VAPOR PHASE ***
RATE, M FT3/DAY 39017.6641 N/A 38973.1445 N/A
MOLECULAR WEIGHT 18.4548 N/A 18.4446 N/A
DENSITY, LB/M FT3 2593.5557 N/A 2561.6057 N/A
*** LIQUID PHASE ***
RATE, GAL/MIN N/A 9.9762 N/A 10.3961
STD. SPGR, (H2O,60F), SPGR N/A 1.1278 N/A 1.1079
DENSITY, LB/FT3 N/A 68.6160 N/A 68.0294
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February 1992
User-Defined Stream Output, contd.
REGENERATOR STREAMS FEBRUARY 1992
========================================================================
=======

STREAM ID 10 11 12
NAME RICH TO REG OFF GAS HOT LEAN

NAME RICH TO REG OFF GAS HOT LEAN
TEMPERATURE, F 240.00 271.51 400.00
PRESSURE, PSIG 40.000 0.100 1.100
COMP. MOLE RATES,
LB-MOL/HR
1 CO2 0.0561 0.0561 1.9157E-07
2 HYSULFID 1.0590 1.0588 2.4518E-04
3 METHANE 0.0462 0.0462 2.7905E-09
4 ETHANE 0.0346 0.0346 2.2360E-08
5 PROPANE 0.0268 0.0268 5.4225E-08
6 IBUTANE 0.0229 0.0229 1.0352E-06
7 BUTANE 0.0500 0.0500 4.7009E-06
8 IPENTANE 3.2505E-03 3.2505E-03 2.7699E-08
9 PENTANE 4.5959E-03 4.5959E-03 4.9763E-08
10 HEXANE 0.0197 0.0197 1.8677E-06
11 HEPTANE 0.0376 0.0376 3.9187E-05
12 H2O 5.3998 1.6785 3.7213
13 TEG 37.0282 0.0109 37.0173
RATE, LB-MOL/HR 43.7887 3.0499 40.7389

1 CO2 2.4686 2.4686 8.4311E-06
2 HYSULFID 36.0903 36.0821 8.3556E-03
3 METHANE 0.7407 0.7407 4.4767E-08
4 ETHANE 1.0394 1.0394 6.7236E-07
5 PROPANE 1.1828 1.1828 2.3912E-06
6 IBUTANE 1.3321 1.3321 6.0168E-05
7 BUTANE 2.9062 2.9060 2.7323E-04
8 IPENTANE 0.2345 0.2345 1.9985E-06
9 PENTANE 0.3316 0.3316 3.5904E-06
10 HEXANE 1.6957 1.6955 1.6096E-04
11 HEPTANE 3.7675 3.7636 3.9268E-03
12 H2O 97.2769 30.2386 67.0384
13 TEG 5560.6802 1.6413 5559.0366
RATE, LB/HR 5709.7471 83.6568 5626.0879

*** VAPOR PHASE ***
RATE, M FT3/DAY 1.5155 27.7771 N/A
MOLECULAR WEIGHT 33.7676 27.4296 N/A
DENSITY, LB/M FT3 248.7423 51.9805 N/A
RATE, GAL/MIN 10.1630 N/A 9.9729
STD. SPGR, (H2O,60F), SPGR 1.1220 N/A 1.1278
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February 1992
DENSITY, LB/FT3 64.6805 N/A 60.8464
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February 1992
User-Defined Stream Output, contd.
FLASH TANK STREAMS FEBRUARY 1992
========================================================================
======

STREAM ID 6 7 8
NAME FLASH FEED FLASH GAS FLASH LIQUID

NAME FLASH FEED FLASH GAS FLASH LIQUID
TEMPERATURE, F 170.00 170.00 170.00
PRESSURE, PSIG 50.000 50.000 50.000
COMP. MOLE RATES,
LB-MOL/HR
1 CO2 0.1918 0.1357 0.0561
2 HYSULFID 1.5364 0.4773 1.0590
3 METHANE 0.8927 0.8466 0.0462
4 ETHANE 0.2371 0.2026 0.0346
5 PROPANE 0.1151 0.0883 0.0268
6 IBUTANE 0.0438 0.0209 0.0229
7 BUTANE 0.0824 0.0324 0.0500
8 IPENTANE 8.6669E-03 5.4164E-03 3.2505E-03
9 PENTANE 0.0111 6.5175E-03 4.5959E-03
10 HEXANE 0.0290 9.3560E-03 0.0197
11 HEPTANE 0.0462 8.6086E-03 0.0376
12 H2O 5.4164 0.0167 5.3998
13 TEG 37.0283 6.4024E-05 37.0282
RATE, LB-MOL/HR 45.6392 1.8504 43.7887

1 CO2 8.4420 5.9734 2.4686
2 HYSULFID 52.3574 16.2671 36.0903
3 METHANE 14.3220 13.5813 0.7407
4 ETHANE 7.1310 6.0916 1.0394
5 PROPANE 5.0765 3.8937 1.1828
6 IBUTANE 2.5448 1.2127 1.3321
7 BUTANE 4.7917 1.8854 2.9062
8 IPENTANE 0.6253 0.3908 0.2345
9 PENTANE 0.8018 0.4702 0.3316
10 HEXANE 2.5019 0.8063 1.6957
11 HEPTANE 4.6302 0.8626 3.7675
12 H2O 97.5769 0.3000 97.2769
13 TEG 5560.6904 9.6147E-03 5560.6802
RATE, LB/HR 5761.4922 51.7449 5709.7471

*** VAPOR PHASE ***
RATE, M FT3/DAY 16.8529 16.8529 N/A
DENSITY, LB/M FT3 270.9362 270.9362 N/A
RATE, GAL/MIN 10.1815 N/A 10.1815
STD. SPGR, (H2O,60F), SPGR 1.1211 N/A 1.1211
DENSITY, LB/FT3 66.9283 N/A 66.9283
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February 1992
GAS SWEETENING USING
AMINES
A sour natural gas feed containing 1.37 and 1.70 mole percent CO2 and H2S
respectively is to be sweetened. Your job is to design an amine treating facility to
bring the concentration of the acid gases in 100 MMSCFD of natural gas down to
less than 5 PPM.
Process
Data
The flowsheet for this problem is shown in Figure G8.1. The natural gas feed stream
information is given in Table G8.1, and the process information in Table G8.21.
1. Ball, T., and R. Veldman, Improve Gas Treating, Chem. Eng. Prog., vol. 87, pg.
67-72 (1991).
Figure G8.1
Natural Gas Sweetening
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PRO/II APPLICATION BRIEFS GAS SWEETENING USING AMINES G8-1
December 1992
Table G8.1
Component lbmole/hr
CO2 149.9254
H2S 186.7203
CH4 9680.8887
C2H6 704.0451
C3H8 187.9284
iC4H10 19.8801
nC4H10 26.2507
iC5H12 7.5787
nC5H12 7.7983
C6H14 5.9310
C7H16 6.7000
H2O 4.9745
Rate (MMSCF/hr)
4.17
Temperature (F)
100
Pressure (psia)
200
Table G8.2
Process Information
Absorber Pressure
250 psia
Absorber Pressure Drop
1.0 psia
Absorber Amine Feed
MEA Concentration
15 wt %
Regenerator Pressure
15.5 psia
Regenerator Column
Pressure Drop
2 psia
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G8-2 GAS SWEETENING USING AMINES PRO/II APPLICATION BRIEFS
Decmber 1992
Methods
and Data
The K-values for the system are computed using a special AMINE thermodynamic
data package. This package contains K-values for CO2, H2S, H2O and MEA compo-
nents, while SRKM is used for the remaining gas components. Liquid enthalpies and
densities are calculated using library values. Vapor phase properties are calculated
from SRKM.
Simulation
Model
A 15 weight percent MEA in water solution is used to treat the sour gas. The gas is
first contacted with the amine solution in a 6 tray absorber at 250 psig and about 110
F, where virtually all the H2S and CO2 are removed. After passing through the
absorber, the amine solution, now rich in acid gases, is flashed to near atmospheric
pressure by passing through a pressure-reducing valve where the hydrocarbons are
removed. The resulting rich-amine then enters the regenerator, a 12-tray distillation
column, where it is reboiled to release the acid gases, which exit at the top of the
column. The lean-amine solution leaving the bottom of the regenerator is heat
exchanged with the rich-amine solution from the contactor before being sent to a
surge tank. Here, make-up MEA is added. The resulting lean-amine solution is diluted
to 15 % MEA by adding make-up water, and is then air-cooled before being recycled
to the absorber.
Input Data English units are used for the simulation. The regenerator condenser duty is varied
in order to meet a specification on the temperature of the top tray, while the reboiler
duty is varied to meet a specification on the vapor rate for the bottom tray (Note 1).
A STREAM CALCULATOR and a SPLITTER unit are used to model the plant
make-up MEA needed, while a CALCULATOR unit and a specification on the
make-up water splitter unit are utilized to obtain a plant water balance (Note 2). An
initial estimate for the lean-amine recycle rate is given based on an MEA loading of
about 0.5 mole of acid gas per mole of amine. The Wegstein acceleration method is
used with default parameters in order to speed up convergence of the recycle loops.
Input Data File
TITLE PROJECT=APPBRIEF,PROBLEM=G8, &
DESC AMINE SWEETENING PLANT
DIMEN ENGLISH,LIQV=GAL
PRINT RATE=M,STREAM=ALL,INPUT=ALL
TOLER STREAM=0.01,,5.0E-05,DUTY=0.01
CALCULATION TRIALS=15
COMPONENT DATA
LIBID 1,CO2/2,HYSULFID/3,METHANE/4,ETHANE/ &
5,PROPANE/6,IBUTANE/7,BUTANE/8,IPENTANE/ &
9,PENTANE/10,HEXANE/11,HEPTANE/12,H2O/ &
13,MEA
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December 1992
THERMODYNAMIC DATA
METHODS SYSTEM=AMINE,SET=SET01,DEFAULT
STREAM DATA
RATE(G)=4.17e+06, &
COMP(M)=1,58.451/2,72.7961/3,3774.26/4,274.484/ &
5,73.2671/6,7.7506/7,10.2343/8,2.9547/ &
9,3.0403/10,2.3123/11,2.6121/12,1.9394, &
NORMALIZE
PROP STREAM=3,TEMP=115,PRES=250,PHASE=L, &
RATE(M)=16000, &
COMP(W)=1,0.003/2,0.003/12,0.85/13,0.15,NORMALIZE
PROP STREAM=19,TEMP=90,PRES=15.5,PHASE=L, &
COMP(M)=13,2000
PROP STREAM=10B,TEMP=90,PRES=15.5,PHASE=L, &
COMP(M)=13,10
PROP STREAM=10,REFS=9,TEMP(F)=170
PROP STREAM=WAT,TEMP=200,PRES=14.7,COMP=12,3000,PHASE=M
NAME 1,G7 WET GAS/2,TREATED GAS/WAT,WATER/3,AMINEH20/ &
4,BOTTOMS/5,H20 FLASH/8,ACID GAS/10B,MEA MAKEUP/ &
19,MEA/W1,WATER MAKEUP
UNIT OPERATIONS
COLUMN UID=CN-1,NAME=CONTACTOR
PARAM TRAY=6,IO=50,DAMP=0.4,ERRINC=2.0
FEED 3,1/1,6
PSPEC TOP=250,DP=1
ESTI MODEL=CONVENTIONAL,TTEMP=100, &
BTEMP=110,RTEMP=110
VALVE UID=V-1,NAME=PRESS VALVE
FEED 4
PROD L=6,V=5
OPER PRES=16.1
HX UID=HX-1,NAME=AMINE HX1
OPER HTEMP=170
COLUMN UID=RG-1,NAME=REGENERATOR
PARAM TRAY=12,IO=50,DAMP=0.4,ERRINC=2.0
FEED 7,5,SEPARATE
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COND TYPE=PART,PRES=13.5
PSPEC TOP=15.5,DPCOL=2
HEAT 1,12/2,1
SPEC TRAY=1,TEMP,VALUE=120 $NOTE 1
SPEC TRAY=12,PHASE=V,RATE,RATIO,STREAM=9,RATE,VALUE=0.5
VARY DUTY=1,2
STCALC UID=SC-1,NAME=MEA MAKEUP
FEED 2,1.0/5,1.0/8,1.0
PROD L=20,TEMP=90,PRES=15.5
FPROD 1,12,0.0/13,13,1.0
CALCULATOR UID=CL-1,NAME=H2O CALC
SEQUENCE STREAM=2,5,8,1
RESULT 1,1
PROCEDURE
R(1) = SCMR(12,2)+SCMR(12,5)+SCMR(12,8)-SCMR(12,1)
RETURN
SPLITTER UID=SL-1,NAME=SPLITTER
FEED 19
PROD L=10B,L=XMEA
SPEC STREAM=10B,COMP=13,RATE(M), &
RATIO,STRE=20,VALUE=1
MIXER UID=MX-1,NAME=SURGE TANK
FEED 10B,10
PROD M=11
OPER DP=0.8
HX UID=HXA
HOT FEED=11,L=11C
OPER HTEMP=150
SPLITTER UID=SL-2,NAME=SPLITTER
FEED WAT
PROD L=W1,L=XWAT
SPEC STREAM=W1,COMP=12,RATE(M), & $NOTE 2
DIVIDE,CALCULATOR=CL-1,R(1),VALUE=1
MIXER UID=MX-2,NAME=H2O MAKE-UP
FEED W1,11C
PROD M=3C
OPER DP=0
PUMP UID=PU-1,NAME=AMINE PUMP
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December 1992
FEED 3C
PROD L=3B
OPER PRESS=250,EFF=70

HX UID=HX-2,NAME=AIR COOLER
HOT FEED=3B,L=3,DP=0
OPER HTEMP=115
UTIL AIR,TIN=20,TOUT=100
RECYCLE DATA
ACCEL TYPE=WEGS, &
START=2,WEGL=-50
Results The flowsheet converged in 4 recycle iterations. The concentrations of the acid gases
CO2 and H2S were reduced from 1.37 and 1.7 mole percent in the sour gas feed to
less than 1 PPM in the treated effluent gas.
Output: The following data were extracted from the PRO/II output:
1) Absorber Column summary
2) Regenerator Summary
3) Stream Output
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Absorber Column Summary
COLUMN SUMMARY 12/22/92
==============================================================================

UNIT 1, CN-1, CONTACTOR


IN/OUT METHOD 32

COLUMN SUMMARY

NET FLOW RATES - HEATER
DEG F PSIA LB-MOL/HR MM BTU/HR
- - -
1 115.4 250.00 16017.7 16004.7L 10694.4V
2 116.2 251.00 16020.9 10707.4
3 118.1 252.00 16028.5 10710.6
4 122.3 253.00 16047.5 10718.2
5 130.9 254.00 16114.8 10737.3
6 138.8 255.00 10804.6 10988.6V 16298.9L


-
FEED 3 LIQUID 1 1.0000 16004.70 22.6849
FEED 1 VAPOR 6 0.0000 10988.62 13.2707
PROD 2 VAPOR 1 10694.43 13.6936
PROD 4 LIQUID 6 16298.91 22.2616

OVERALL MOLE BALANCE, (FEEDS - PRODUCTS) -2.2707E-02
OVERALL HEAT BALANCE, (H(IN) - H(OUT) ) 3.0323E-04

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Regenerator Column Summary
COLUMN SUMMARY 12/22/92
==============================================================================

UNIT 4, RG-1, REGENERATOR


IN/OUT METHOD 50

COLUMN SUMMARY

- - -
1 120.0 13.50 6197.4 384.5V -118.8083
2 212.0 15.50 6780.3 6581.8
3 212.9 15.70 6784.2 7164.8
4 213.7 15.90 6773.0 7168.7 5.4V
5 216.3 16.10 23621.3 7152.1 16277.6L
6 218.3 16.30 23711.4 7722.8
7 219.3 16.50 23752.8 7812.9
8 220.0 16.70 23781.7 7854.3
9 220.7 16.90 23806.3 7883.1
10 221.4 17.10 23829.8 7907.8
11 222.0 17.30 23847.9 7931.3
12 223.5 17.50 7949.4 15898.5L 139.1505


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FEED 7 MIXED 5 0.9997 16282.99 38.5342
PROD 8 VAPOR 1 384.48 3.3980
PROD 9 LIQUID 12 15898.51 55.5034

OVERALL HEAT BALANCE, (H(IN) - H(OUT) ) -0.0250

SPECIFICATIONS

- -
TRAY VAP 12 MOL RATIO 5.000E-01 5.000E-01

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Stream Component Summary
STREAM MOLAR COMPONENT RATES 12/22/92
==============================================================================

STREAM ID WAT W1 XMEA XWAT
NAME WATER WATER MAKEUP
PHASE LIQUID LIQUID LIQUID LIQUID

1 CO2 0.0000 0.0000 0.0000 0.0000
2 HYSULFID 0.0000 0.0000 0.0000 0.0000
3 METHANE 0.0000 0.0000 0.0000 0.0000
4 ETHANE 0.0000 0.0000 0.0000 0.0000
5 PROPANE 0.0000 0.0000 0.0000 0.0000
6 IBUTANE 0.0000 0.0000 0.0000 0.0000
7 BUTANE 0.0000 0.0000 0.0000 0.0000
8 IPENTANE 0.0000 0.0000 0.0000 0.0000
9 PENTANE 0.0000 0.0000 0.0000 0.0000
10 HEXANE 0.0000 0.0000 0.0000 0.0000
11 HEPTANE 0.0000 0.0000 0.0000 0.0000
12 H2O 2999.9998 106.1263 0.0000 2893.8735
13 MEA 0.0000 0.0000 1999.9333 0.0000


TEMPERATURE, F 200.0000 200.0000 90.0000 200.0000
PRESSURE, PSIA 14.7000 14.7000 15.5000 14.7000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000 1.0000

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December 1992
Stream Component Summary, contd
==============================================================================

STREAM ID 1 2 3 3B
NAME G7 WET GAS TREATED GAS AMINEH20
PHASE VAPOR VAPOR LIQUID LIQUID

1 CO2 149.9255 6.8004E-03 53.4921 53.4921
2 HYSULFID 186.7203 6.9013E-03 1.2723 1.2723
3 METHANE 9680.8877 9669.9336 3.9933E-14 3.9933E-14
4 ETHANE 704.0450 702.6430 3.4297E-14 3.4297E-14
5 PROPANE 187.9284 187.5394 8.6009E-15 8.6009E-15
6 IBUTANE 19.8801 19.8441 3.5380E-16 3.5380E-16
7 BUTANE 26.2507 26.1445 6.2488E-14 6.2488E-14
8 IPENTANE 7.5787 7.5582 1.2409E-15 1.2409E-15
9 PENTANE 7.7983 7.7807 4.2060E-16 4.2060E-16
10 HEXANE 5.9310 5.9225 2.0382E-13 2.0382E-13
11 HEPTANE 6.7000 6.6858 1.4364E-16 1.4364E-16
12 H2O 4.9745 60.3027 15160.8750 15160.8750
13 MEA 0.0000 0.0653 789.0615 789.0615


TEMPERATURE, F 100.0000 115.3984 115.0000 151.4061
PRESSURE, PSIA 255.0000 250.0000 250.0000 250.0000
MOLE FRAC VAPOR 1.0000 1.0000 0.0000 0.0000
MOLE FRAC LIQUID 0.0000 0.0000 1.0000 1.0000

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Decmber 1992

==============================================================================

STREAM ID 3C 4 5 6
NAME BOTTOMS H20 FLASH
PHASE LIQUID LIQUID VAPOR LIQUID

1 CO2 53.4921 203.4143 0.1344 203.2798
2 HYSULFID 1.2723 187.9957 0.9876 187.0085
3 METHANE 3.9933E-14 10.9541 10.4353 0.5229
4 ETHANE 3.4297E-14 1.4020 1.2824 0.1201
5 PROPANE 8.6009E-15 0.3890 0.3531 0.0361
6 IBUTANE 3.5380E-16 0.0360 0.0330 3.0606E-03
7 BUTANE 6.2488E-14 0.1063 0.0863 0.0200
8 IPENTANE 1.2409E-15 0.0205 0.0179 2.6249E-03
9 PENTANE 4.2060E-16 0.0176 0.0157 1.9391E-03
10 HEXANE 2.0382E-13 8.4772E-03 7.8352E-03 6.4511E-04
11 HEPTANE 1.4364E-16 0.0142 0.0126 1.5993E-03
12 H2O 15160.8750 15105.5557 2.5496 15103.0010
13 MEA 789.0615 788.9965 1.1851E-03 788.9951


TEMPERATURE, F 150.3145 138.7620 138.4676 138.4676
PRESSURE, PSIA 14.7000 255.0000 16.1000 16.1000
MOLE FRAC VAPOR 0.0000 0.0000 1.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 0.0000 1.0000
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December 1992
==============================================================================

STREAM ID 7 8 9 10
NAME ACID GAS
PHASE MIXED VAPOR LIQUID LIQUID

1 CO2 203.2798 149.7877 53.4921 53.4921
2 HYSULFID 187.0085 185.7361 1.2723 1.2723
3 METHANE 0.5229 0.5229 3.9933E-14 3.9933E-14
4 ETHANE 0.1201 0.1201 3.4297E-14 3.4297E-14
5 PROPANE 0.0361 0.0361 8.6009E-15 8.6009E-15
6 IBUTANE 3.0606E-03 3.0606E-03 3.5380E-16 3.5380E-16
7 BUTANE 0.0200 0.0200 6.2488E-14 6.2488E-14
8 IPENTANE 2.6249E-03 2.6249E-03 1.2409E-15 1.2409E-15
9 PENTANE 1.9391E-03 1.9391E-03 4.2060E-16 4.2060E-16
10 HEXANE 6.4511E-04 6.4512E-04 2.0382E-13 2.0382E-13
11 HEPTANE 1.5993E-03 1.5993E-03 1.4364E-16 1.4364E-16
12 H2O 15103.0010 48.2485 15054.7480 15054.7480
13 MEA 788.9951 1.7999E-10 788.9949 788.9949


TEMPERATURE, F 190.7918 120.0184 223.5013 170.0000
PRESSURE, PSIA 16.1000 13.5000 17.5000 17.5000
MOLE FRAC VAPOR 3.2902E-04 1.0000 0.0000 0.0000
MOLE FRAC LIQUID 0.9997 0.0000 1.0000 1.0000

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==============================================================================

STREAM ID 10B 11 11C 19
NAME MEA MAKEUP MEA

1 CO2 0.0000 53.4921 53.4921 0.0000
2 HYSULFID 0.0000 1.2723 1.2723 0.0000
3 METHANE 0.0000 3.9933E-14 3.9933E-14 0.0000
4 ETHANE 0.0000 3.4297E-14 3.4297E-14 0.0000
5 PROPANE 0.0000 8.6009E-15 8.6009E-15 0.0000
6 IBUTANE 0.0000 3.5380E-16 3.5380E-16 0.0000
7 BUTANE 0.0000 6.2488E-14 6.2488E-14 0.0000
8 IPENTANE 0.0000 1.2409E-15 1.2409E-15 0.0000
9 PENTANE 0.0000 4.2060E-16 4.2060E-16 0.0000
10 HEXANE 0.0000 2.0382E-13 2.0382E-13 0.0000
11 HEPTANE 0.0000 1.4364E-16 1.4364E-16 0.0000
12 H2O 0.0000 15054.7480 15054.7480 0.0000
13 MEA 0.0665 789.0615 789.0615 1999.9998


TEMPERATURE, F 90.0000 169.9997 150.0000 90.0000
PRESSURE, PSIA 15.5000 14.7000 14.7000 15.5000
ENTHALPY, MM BTU/HR 1.2935E-04 39.1474 33.0835 3.8918
MOLE FRAC VAPOR 0.0000 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000 1.0000

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December 1992
Steam Power
Generati on Loop
In many applications today, steam is used as a major source of
power. In one form of a heat engine model, the working fluid is com-
pletely enclosed and goes through a cyclical process, accomplished
by vaporization and condensation. There are several ways to model
the conversion of heat into work by such power cycles. The Rank-
ine cycle is used to describe power plants that generate saturated
steam. The turbines in such plants are designed so that the mois-
ture formed is removed at various stages of the process.
This gas processing application involves a Rankine cycle steam
power generation loop. You are given the assignment to perform
the calculations to predict the performance of the steam powered en-
gine.
After initial pressurization, water is boiled and superheated, passed
through an expander (producing the shaft work output), and con-
densed using air to cool the exhaust steam back to saturated water.
The task is to establish that, even under several constraints, the sys-
tem can produce a reasonable amount of power relative to the base
charge of flow in the loop. Additionally, needed superheater condi-
tions, overall efficiency, and a heat balance cross check must be de-
termined.
Process Data The flowsheet is shown in Figure G9.1. The feed stream is given in
Table G9.1 and the process information in Table G9.2.
Figure G9.1: Steam Power Generation Loop Flowsheet
PRESSURIZER
SUPERHEATER
EXPANDER
PSEUDOFLASH
CONDENSER
CONTROLLER CALCULATOR
CONDENSED
PRESSURIZED SUPERHEATED
EXPANDED
FLASHED
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PRO/II APPLICATION BRIEFS Steam Power Generati on Loop G9-1
J anuary 1995
Tabl e G9. 1: Ini ti al Charge Informati on
Stream CONDENSED Value
Rate 100 Lb-mol/hr
Pressure 15 Psia
Temperature Bubble Point
Tabl e G9. 2: Process Informati on
Unit Parameter Value
Pressure (Pressurizer Pump) 1750 Psia
Degrees of Superheat (Superheater HX) Calculated
Shaft Work (Turbine Expander) 300 Hp minimum
Outlet Pressure (Turbine Expander) 15 Psia
Cold Side Inlet Temperature (Condenser HX) 120 F
Cold Side Outlet Temperature (Condenser HX) 200 F
Outlet Steam Quality (Turbine Expander) 99.5% minimum
Methods
and Data
The only component present is water. The SRK system is chosen
as it has direct access to the steam tables if the user activates the
water options, decants the water, and sets the decanted water prop-
erties to steam. This sets up an unusual situation. The user has re-
quested that water be decanted as a separate phase leaving nothing
else available for a dry basis report. Unusual, but the simulator will
handle it perfectly well by reporting not available for the dry
stream report.
Si mul ati on
Model
The charge (given as an initial estimate in the loop) is fed into a
pump. The pressurized output enters a heat exchanger (modeling
both the boiler and superheater) in which the hot side is given as a
generated heat source (no process streams given). The super-
heated steam enters an isentropic expander which takes the steam
down to a lower pressure while extracting shaft work.
A flash drum follows the expander. This is not a physical flash,
rather it is a mathematical construct used to determine how much
heat must be added or removed to meet the minimum 99.5% quality
expander exhaust steam constraint. When the feedback control
loop converges, the duty will be zero. In effect, nothing happens as
the feeds flow through the unit.
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G9-2 Steam Power Generati on Loop PRO/II APPLICATION BRIEFS
J anuary 1995
A condenser completes the closed loop. It too is modeled as a heat
exchanger except a specific air cooling medium is chosen to turn the
vapor back into a liquid. The cycle repeats itself at this point.
Outside the loop are two other units. One is a calculator utility type
unit operation. The other is a feedback controller model.
The calculator takes several work and duty values and uses them to
produce results. The overall efficiency, , of a heat engine is given
as the amount of shaft work produced minus shaft work performed
divided by the duty of the superheater. The second calculation is an
internal cross check of the loops energy balance. If the energy bal-
ance is correct, then the ratio of the shaft work to the heat duty
should be unity.
The feedback controller manipulates the number of degrees of su-
perheat in the superheater so that the amount of heat needed in the
pseudoflash mathematical construct is zero. If the specification is
met, then the exhaust stream from the expander has achieved the
quality specification.
The questions arise Why use a pseudoflash at all? Why not just
specify the expander exhaust conditions directly? The answer lies
in a chart of exhaust steam quality versus number of degrees of su-
perheat as shown in Figure G9.2.
Figure G9.2: Exhaust Steam Quality vs. Number of Degrees of
Superheat (not to scale)
Notice the flat portion of the graph. If the initial estimate for the num-
ber of degrees of superheat is too high, the controller moves in both
directions along the flat portion and determines that the manipulated
variable has no effect in achieving the specification.
Input heat to the pseudoflash versus number of degrees of super-
heat looks quite different as shown in Figure G9.3.
N umbe r o f D e g re e s o f Sup e rhe a t
0
0.2
0.4
0.6
0.8
1
0 500 1000 1500
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Figure G9.3: Flash Duty vs. Number of Degrees of Superheat
(not to scale)
This function has a monotonic behavior, and the controller can lo-
cate the point at which the needed heat is zero regardless of the
starting point. This approach adds convergence robustness in many
feedback controller problems where the specified variable, or its first
derivative is subject to discontinuities while crossing phase bounda-
ries.
Input Data English units are used throughout the simulation. The keyword input
data file is shown below.
-800
-600
-400
-200
0
200
400
600
0 200 400 600 800 1000 1200
Nu mb e r o f Degrees of Superheat
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Keyword Input Data Fi l e
TITLE PROJECT=G9, PROBLEM=APPBRIEFS, USER=SIMSCI, DATE=JUN94
DESC RANKINE CYCLE STEAM POWER GENERATION LOOP
DESC CONTROLLER USED AS A PROCESS CONDITION CALCULATION TOOL
DESC BASIS IS A 100 LB-MOL/HR CHARGE AROUND THE LOOP
$
COMPONENT DATA
LIBID 1,H2O
$
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01
WATER DECANT=ON, SOLUBILITY=SIMSCI, PROPERTY=STEAM
$
STREAM DATA
PROPERTY STREAM=CONDENSED, PRESSURE=15, PHASE=L,COMPOSITION=1,100
NAME CONDENSED,Saturated Liquid/PRESSURIZED,High Pressure Liquid/ &
SUPERHEATED,Superheated Vapor/EXPANDED,Low Pressure Mix/ &
FLASHED,Pseudoflash Output Mix
$
UNIT OPERATIONS
PUMP UID=PRESSURIZER, NAME=Shaft Work Input
FEED CONDENSED
PRODUCT M=PRESSURIZED
OPERATION EFF=78, PRESSURE=1750
$
HX UID=SUPERHEATER, NAME=Heat from Source
COLD FEED=PRESSURIZED, M=SUPERHEATED
$ INITIAL ESTIMATE DEGREES OF SUPERHEAT
$ THIS WILL BE MANIPULATED BY THE CONTROLLER
OPER CDTADEW=500
$
EXPANDER UID=EXPANDER, NAME=Shaft Work Output
FEED SUPERHEATED
PRODUCT V=EXPANDED
OPERATION EFF=86
$ SHAFT WORK OUTPUT MUST BE AT LEAST 349 HP
$ REAL WORK OUTPUT MANDATED AS AT LEAST 300 HP
$ FOR THIS CHARGE OF FLOW
DEFINE PRES AS STREAM=CONDENSED, PRESSURE
$
$ THE PSEUDOFLASH IS BEING USED TO PERFORM A "WHAT IF?"
$ CALCULATION ON THE EXPANDED STREAM. IT SHOULD REQUIRE
$ NO DUTY TO OBTAIN A PRODUCT WHICH IS 99.5% VAPOR
FLASH UID=PSEUDOFLASH, NAME=Mathematical Construct for Controller
FEED EXPANDED
PRODUCT L=FLASHED
SPEC STREAM=FLASHED, VFRAC, VALUE=0.995
$
HX UID=CONDENSER, NAME=Heat to Sink
HOT FEED=FLASHED, M=CONDENSED
UTILITY AIR, TIN=120, TEMPERATURE=200
OPER HLFRAC=1
$
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Keyword Input Data Fi l e (conti nued)
$ THE CONTROLLER IS KEY. IT IS BEING USED TO ITERATIVELY
$ SEARCH FOR THE NUMBER OF DEGREES OF SUPERHEAT REQUIRED
$ IN THE SUPERHEATER WHICH WILL MAKE AT LEAST 99.5% OF
$ STEAM EMERGING FROM THE EXPANDER EXHAUST A VAPOR
$ IF SO, NO DUTY SHOULD BE REQUIRED IN THE PSEUDOFLASH
CONTROLLER UID=CONTROLLER, NAME=Superheat Manipulator
SPEC FLASH=PSEUDOFLASH, DUTY, VALUE=0, ATOL=1E-6
VARY HX=SUPERHEATER, CDTA
$
$ THE CALCULATOR IS BEING USED TO DETERMINE
$ OVERALL EFFICIENCY (ETA) AND THE HEAT BALANCE
$ IF ETA IS LOW, IT IS MAINLY DUE TO THE MANY
$ CONSTRAINTS UNDER WHICH THIS SYSTEM MUST OPERATE
$ HEAT BALANCE IS EQUAL TO SHAFT WORK OUT MINUS SHAFT WORK IN
$ DIVIDED BY SUPERHEATER DUTY IN MINUS CONDENSER DUTY OUT
$ SHOULD BE EQUAL TO 1 WITHIN ROUNDOFF TOLERANCES
CALCULATOR UID=CALCULATOR, NAME=Efficiency and Balance
RESULT 1,Overall Eta/2,Work to Heat
$ WORK, NORMALLY IN HP, IS CONVERTED TO BTU/HR
DEFINE P(1) AS EXPANDER=EXPANDER, WORK(BTU/H)
DEFINE P(2) AS PUMP=PRESSURIZER, WORK(BTU/H)
$ DUTIES MULTIPLIED BY 1E6 BECAUSE THEY APPEAR AS MM BTU/HR
DEFINE P(3) AS HX=SUPERHEATER, DUTY, TIMES,1E6
DEFINE P(4) AS HX=CONDENSER, DUTY, TIMES,1E6
PROCEDURE
R(1) = ( P(1) - P(2) ) / P(3)
R(2) = ( P(1) - P(2) ) / ( P(3) - P(4) )
RETURN
END
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Resul ts The results show that the turbine expander operating at 99.5% effi-
ciency produces 307.7 HP of work with a cold side outlet tempera-
ture of 1161 F and an estimated efficiency of 30.7%.
Tabl e G9. 2: Tabl e of Sel ected Resul ts
Parameter Value
Shaft Work (Turbine Expander) 307.7 Hp (actual)
Outlet Steam Quality (Turbine Expander) 99.5%
Cold Side Outlet Temperature (Superheater HX) 1161 F
Eta Efficiency (Efficiency and Balance Calculator) 30.7%
Heat Balance (Efficiency and Balance Calculator) 1 (cross check
matches)
Duty (Pseudoflash Flash) 0
Concl usi ons In conclusion, the results show that the plant will generate an accept-
able amount of power while maintaining good overall thermodynamic
heat engine efficiency. Furthermore, these conditions will not pro-
duce an exhaust steam output that would result in damage to the tur-
bine blades from suspended water droplets.
Output The flash drum summary output for the pseudoflash is followed by
pump and calculator summary output. Output for the reboiler and
condenser appears in the Heat Exchanger Output section.
Stream data output is shown as generated by both PRO/II and PRO-
VISION.
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Output Data Fi l es
Fl ash Drum Summary Output
FLASH DRUM PSEUDOFLASH, Mathematical Construct for Controller

FEEDS EXPANDED
PRODUCTS FLASHED

USER INPUT CALCULATED
---------- ----------
TEMPERATURE, F MISSING 213.40
PRESSURE, PSIA MISSING 15.00
PRESSURE DROP, PSI DEFAULT .00
DUTY, MM BTU/HR MISSING .0000
Table G9.5: Expander Summary

EXPANDER EXPANDER, Shaft Work Output

FEEDS SUPERHEATED
PRODUCTS EXPANDED

---------- ----------
OUTLET TEMPERATURE, F MISSING 213.40
OUTLET PRESSURE, PSIA DEFINED 15.00
PRESSURE DROP, PSI MISSING 1735.00

ACTUAL WORK, HP MISSING 307.70
EFFICIENCY 86.00 86.00
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Pump Summary Output
PUMP PRESSURIZER, Shaft Work Input

FEEDS CONDENSED
PRODUCTS PRESSURIZED

---------- ----------
TEMPERATURE, F MISSING 216.42
PRESSURE DROP, PSI MISSING 1735.00

WORK, HP MISSING 4.87
HEAD, FT MISSING 4181.46
EFFICIENCY 78.00 78.00
Cal cul ator Summary Output

CALCULATOR CALCULATOR, Efficiency and Balance

---------- ----------
PARAMETER 1 N/A 7.8293E+05
2 N/A 1.2402E+04
3 N/A 2.5083E+06
4 N/A 1.7378E+06
5-50 N/A MISSING
RESULT 1 N/A 3.0718E-01
2 N/A 1.0000E+00
3-200 N/A MISSING
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Heat Exchanger Output
HEAT EXCHANGER REBOILER_HX, Reboiler Model

FEEDS - COLD SIDE
PRODUCTS - COLD SIDE

---------- ----------
HOT OUTLET TEMPERATURE, K MISSING 457.44
HOT PRESSURE DROP, KPA .00 .00
HOT LIQUID FRACTION MISSING MISSING

COLD OUTLET TEMPERATURE, K MISSING 396.21
COLD PRESSURE DROP, KPA .00 .00
COLD LIQUID FRACTION MISSING MISSING

DUTY, M*KJ/HR DEFINED 7.7694
U, KW/M2-K MISSING MISSING
AREA, M2 MISSING MISSING

FT MISSING 1.00
LMTD, K MISSING 63.5542
LMTD (ZONE-WEIGHTED), K MISSING MISSING
HEAT EXCHANGER CONDENSER_HX, Condenser Model

FEEDS - HOT SIDE
PRODUCTS - HOT SIDE

---------- ----------



FT MISSING 1.00
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Stream Mol ar Composi ti on Rate Output (PRO/II)
STREAM MOLAR COMPONENT RATES
===========================================================================================

STREAM ID CONDENSED EXPANDED FLASHED PRESSURIZED SUPERHEATED
NAME Saturated Low Pressure Pseudoflash High Superheated
Liquid Mix Output Mix Pressure Vapor
Liquid
PHASE WATER MIXED MIXED WATER WATER VAPOR

1 H2O 100.0000 100.0000 100.0000 100.0000 100.0000

TOTAL RATE, LB-MOL/HR 100.0000 100.0000 100.0000 100.0000 100.0000

TEMPERATURE, F 213.4044 213.4044 213.4044 216.4169 1161.3520
PRESSURE, PSIA 15.0000 15.0000 15.0000 1750.0000 1750.0000
ENTHALPY, MM BTU/HR .3271 2.0649 2.0649 .3395 2.8478
MOLECULAR WEIGHT 18.0150 18.0150 18.0150 18.0150 18.0150
MOLE FRAC VAPOR .0000 .9950 .9950 .0000 1.0000
MOLE FRAC TOTAL LIQUID 1.0000 5.0000E-03 5.0000E-03 1.0000 .0000
MOLE FRAC H/C LIQUID .0000 .0000 .0000 .0000 .0000
MOLE FRAC FREE WATER 1.0000 5.0000E-03 5.0000E-03 1.0000 .0000
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Stream Summary Output (PRO/II)
STREAM SUMMARY
===========================================================================================

STREAM ID CONDENSED EXPANDED FLASHED PRESSURIZED SUPERHEATED
NAME Saturated Low Pressure Pseudoflash High Superheated
Liquid Mix Output Mix Pressure Vapor
Liquid
PHASE WATER MIXED MIXED WATER WATER VAPOR

----- TOTAL STREAM -----
RATE, LB-MOL/HR 100.000 100.000 100.000 100.000 100.000
M LB/HR 1.801 1.801 1.801 1.801 1.801
TEMPERATURE, F 213.404 213.404 213.404 216.417 1161.352
PRESSURE, PSIA 15.000 15.000 15.000 1750.000 1750.000
MOLECULAR WEIGHT 18.015 18.015 18.015 18.015 18.015
ENTHALPY, MM BTU/HR .327 2.065 2.065 .339 2.848
BTU/LB 181.568 1146.221 1146.221 188.452 1580.818
MOLE FRACTION LIQUID 1.00000 .00500 .00500 1.00000 .00000
MOLE FRACTION FREE WATER 1.00000 .00500 .00500 1.00000 .00000

----- TOTAL VAPOR ------
RATE, LB-MOL/HR N/A 99.500 99.500 N/A 100.000
M LB/HR N/A 1.792 1.792 N/A 1.801
M FT3/HR N/A 47.156 47.156 N/A .944
STD VAP RATE(1), M FT3/HR N/A 37.759 37.759 N/A 37.948
MOLECULAR WEIGHT N/A 18.015 18.015 N/A 18.015
ENTHALPY, BTU/LB N/A 1151.069 1151.069 N/A 1580.818
CP, BTU/LB-F N/A .486 .486 N/A .600
DENSITY, LB/M FT3 N/A 38.012 38.012 N/A 1909.081
Z (FROM DENSITY) N/A .9842 .9842 N/A .9493

----- TOTAL LIQUID -----
RATE, LB-MOL/HR 100.000 .500 .500 100.000 N/A
M LB/HR 1.801 9.007E-03 9.007E-03 1.801 N/A
FT3/HR 30.130 .151 .151 29.993 N/A
GAL/MIN 3.757 1.878E-02 1.878E-02 3.739 N/A
STD LIQ RATE, FT3/HR 28.899 .144 .144 28.899 N/A
MOLECULAR WEIGHT 18.015 18.015 18.015 18.015 N/A
ENTHALPY, BTU/LB 181.568 181.568 181.568 188.452 N/A
CP, BTU/LB-F 1.007 1.007 1.007 1.001 N/A
DENSITY, LB/FT3 59.790 59.790 59.790 60.064 N/A
Z (FROM DENSITY) 6.2571E-04 6.2571E-04 6.2571E-04 .0723 N/A

(1) STANDARD VAPOR VOLUME IS 379.49 FT3/LB-MOLE (60 F AND 14.696 PSIA)
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Stream Summary Tabl e (PROVISION)
Stream Name CONDENSED PRESSURIZED SUPERHEATED EXPANDED FLASHED
Stream Saturated High Pressure Superheated Low Pressure Pseudoflash
Description Liquid Liquid Vapor Mix Output Mix

Phase Water Water Water Vapor Mixed Mixed

Temperature(F) 213.404 216.417 1161.352 213.404 213.404
Pressure (PSIA) 15.000 1750.000 1750.000 15.000 15.000

Flowrate 100.000 100.000 100.000 100.000 100.000
(LB-MOL/HR)

Composition (Mole Frac)
H2O 1.000 1.000 1.000 1.000 1.000
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CRUDE HEATING CURVE
A flash vaporization curve is to be generated for a crude oil mixture as the first step
in the design of a crude unit. The design flow rate of crude is 75,000 BBL/day.
Process Data The light ends, API gravity, D2887 simulated distillation, and molecular weight data
are given in Tables R1.1-R1.4.
Table R1.1
Light Ends
Component LV Percent on
Crude
Ethane
0.1
Propane
1.4
I-Butane
0.65
N-Butane
3.15
N-Pentane
5.1
Table R1.2
API Gravity
Mid Wt Percent API
8.33 80.01
16.89 62.90
34.80 50.6
55.47 38.2
80.10 27.5
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PRO/II APPLICATION BRIEFS CRUDE HEATING CURVE R1-1
February 1992
Table R1.3
Simulated Distillation (ASTM D2887)
Mid Wt Percent Temperature (F)
5.74
135
19.55
210
35.89
370
60.04
565
69.82
665
78.38
800
87.94
990
Table R1.4
Molecular Weight Data
Mid Wt Percent MW
18.92 99.5
33.39 135
48.41 184.7
69.80 334.8
100 789
Average 162.9
Methods
and Data
The simulated distillation at 760 mmHg is represented by the ASTM D2887 option.
A TBPCUTS statement is used to reduce the number of pseudo components, while
allowing enough pseudo components to represent the fractionation. The BK10
thermodynamic system is selected for the calculations. This system is fast and easy
and provides good results for low pressure crude systems. The Grayson-Streed
system may also be used and typically predicts slightly more vaporization. The
transport properties are predicted using the PETRO method.
Simulation
Model
The HCURVE unit is used to compute 20 points at even enthalpy increments over
the range of temperature and pressure conditions given in Table R1.5
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R1-2 CRUDE HEATING CURVE PRO/II APPLICATION BRIEFS
February 1992
Table R1.5
Process Conditions
Temperature (F) Pressure (psia)
375 300
690 50
Input Data English units are used for the simulation with standard liquid volumes set as barrels.
Note how the optional molecular weight and API gravity data are provided (only the
average gravity is required) (Note 1) and how the adiabatic flash vaporization curve
for the crude feed is given in the HCURVE statement (Note 2). The TBP option on
the PRINT statement requests the printing of the TBP/ASTM distillations of the crude.
Input Data File
TITLE PROJECT=APPBRIEFS,PROBLEM=R1, &
USER=SIMSCI,DATE=FEB 1992
DESC CRUDE OIL HEATING CURVE
DIMEN ENGLISH,LIQV=BBL
PRINT RATE=M,STREAM=ALL,INPUT=ALL,TBP
COMPONENT DATA
LIBID 1,ETHANE/2,PROPANE/3,IBUTANE/4,BUTANE/ &
5,PENTANE
TBPCUTS 115,300,6/400,10/650,8/800,4/1500,6
THERMODYNAMIC DATA

METHOD SYSTEM=BK10, TRANS=PETRO
STREAM DATA
PROP STREAM=1,TEMP=375,PRES=300,PHASE=M,RATE(V)=3125, &
ASSAY=WT
D2887 STREAM=1, &
DATA=5.74,135/19.55,210/35.89,370/ &
60.04,565/69.82,665/78.38,800/ &
87.94,990
API STREAM=1,AVG=45.37, & $NOTE 1
DATA=8.33,80.01/16.89,62.9/34.8,50.6/ &
55.47,38.2/80.10,27.5
MW STREAM=1,AVG=162.9, &
DATA=18.92,99.5/33.4,135/48.4,184.7/ &
69.8,334.8/100,789
LIGHT STREAM=1,PERCENT(W)=10.4, &
COMP(M)=1,0.1/2,1.4/3,0.65/ &
4,3.15/5,5.1,NORMALIZE
NAME 1,CRUDE FEED
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UNIT OPERATIONS

HCURVE UID=HC1,NAME=HEATING CRV $NOTE 2
ADIA STREAM=1,TEMP=375,690,&
PRES=300,50,POINTS=20
PROP ALL
Output The following data were extracted from the PRO/II output for the crude feed:
1) Adiabatic Flash Curve
2) Petroleum Properties
3) Transport Property Curves
4) Stream Component Flow Rates
5) Stream TBP/ASTM Distillation Curves
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Adiabatic Flash Curve
UNIT 1, HC1, HEATING CRV

ADIABATIC FLASH CURVE FOR STREAM 1, TOTAL DUTY = 2.50374E+02 MM BTU/HR

- MOLAR FLOW RATE ---- -------------------------------- ENTHALPY ------------------------
TEMP PRES VAPOR LIQUID WATER VAPOR LIQUID WATER TOTAL
DEG F PSIA M LB-MOL/HR MM BTU/HR
---------------- ---------------- ---------------- ---------------- ------------ ---------------- ---------------- ---------------- ----------------
375.00 300.000 0.0000 5.3740 0.0000 0.000 237.505 0.000 237.505
397.85 286.842 0.0000 5.3740 0.0000 0.000 250.682 0.000 250.682
420.54 273.684 0.0000 5.3740 0.0000 0.000 263.860 0.000 263.860
442.80 260.526 0.0000 5.3740 0.0000 0.000 277.037 0.000 277.037
464.65 247.368 0.0000 5.3740 0.0000 0.000 290.215 0.000 290.215
B 482.54 240.790 0.0000 5.3740 0.0000 0.000 301.185 0.000 301.185
485.06 234.211 0.1046 5.2694 0.0000 2.997 300.396 0.000 303.392
502.31 221.053 0.4714 4.9026 0.0000 14.715 301.855 0.000 316.570
518.84 207.895 0.8511 4.5230 0.0000 28.859 300.889 0.000 329.748
534.72 194.737 1.2387 4.1353 0.0000 45.497 297.428 0.000 342.925
549.98 181.579 1.6318 3.7422 0.0000 64.742 291.361 0.000 356.103
564.67 168.421 2.0277 3.3463 0.0000 86.660 282.621 0.000 369.280
578.86 155.263 2.4224 2.9516 0.0000 111.213 271.245 0.000 382.458
592.65 142.105 2.8102 2.5638 0.0000 138.225 257.411 0.000 395.635
606.17 128.947 3.1839 2.1901 0.0000 167.358 241.455 0.000 408.813
619.59 115.790 3.5353 1.8388 0.0000 198.109 223.882 0.000 421.991
633.09 102.632 3.8561 1.5179 0.0000 229.855 205.313 0.000 435.168
646.82 89.474 4.1402 1.2338 0.0000 261.969 186.377 0.000 448.346
660.90 76.316 4.3846 0.9894 0.0000 293.948 167.575 0.000 461.523
675.34 63.158 4.5907 0.7833 0.0000 325.614 149.091 0.000 474.706
690.00 50.000 4.7635 0.6105 0.0000 357.175 130.703 0.000 487.878
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Adiabatic Flash Curve, contd.
---- WEIGHT FLOW RATE ---- MOLECULAR WEIGHT DRY STD SPGR
TEMP PRES VAPOR LIQUID WATER VAPOR LIQUID VAPOR LIQUID
DEG F PSIA M LB/HR (AIR=1.0)
---------------- ---------------- ---------------- ---------------- ---------------- -------------------- ---------------- -------------------- --------------------
375.00 300.000 0.00 875.42 0.00 0.00 162.90 0.0000 0.8000
397.85 286.842 0.00 875.42 0.00 0.00 162.90 0.0000 0.8000
420.54 273.684 0.00 875.42 0.00 0.00 162.90 0.0000 0.8000
442.80 260.526 0.00 875.42 0.00 0.00 162.90 0.0000 0.8000
464.65 247.368 0.00 875.42 0.00 0.00 162.90 0.0000 0.8000
482.54 240.790 0.00 875.42 0.00 0.00 162.90 0.0000 0.8000
485.06 234.211 7.22 868.20 0.00 69.01 164.76 2.3825 0.8018
502.31 221.053 34.14 841.28 0.00 72.43 171.60 2.5007 0.8081
518.84 207.895 64.61 810.81 0.00 75.91 179.27 2.6209 0.8145
534.72 194.737 98.50 776.91 0.00 79.52 187.87 2.7456 0.8209
549.98 181.579 135.92 739.49 0.00 83.30 197.61 2.8759 0.8273
564.67 168.421 176.91 698.51 0.00 87.25 208.74 3.0123 0.8338
578.86 155.263 221.35 654.07 0.00 91.38 221.60 3.1548 0.8405
592.65 142.105 268.86 606.55 0.00 95.67 236.58 3.3032 0.8472
606.17 128.947 318.79 556.63 0.00 100.12 254.16 3.4569 0.8542
619.59 115.790 370.13 505.29 0.00 104.70 274.80 3.6147 0.8613
633.09 102.632 421.67 453.75 0.00 109.35 298.94 3.7754 0.8686
646.82 89.474 472.16 403.26 0.00 114.04 326.85 3.9374 0.8758
660.90 76.316 520.64 354.78 0.00 118.74 358.59 4.0996 0.8829
675.34 63.158 566.75 308.67 0.00 123.46 394.07 4.2624 0.8898
690.00 50.000 610.93 264.48 0.00 128.25 433.23 4.4280 0.8965

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Adiabatic Flash Curve, contd.
TEMP PRES MOLE FRACTION WEIGHT FRACTION DRY LV FRACTION
DEG F PSIA VAPOR LIQUID VAPOR LIQUID VAPOR LIQUID
---------------- ---------------- -------------------- -------------------- -------------------- -------------------- -------------------- --------------------
375.00 300.000 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
397.85 286.842 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
420.54 273.684 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
442.80 260.526 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
464.65 247.368 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
482.54 240.790 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
485.06 234.211 0.0195 0.9805 0.0082 0.9918 0.0105 0.9895
502.31 221.053 0.0877 0.9123 0.0390 0.9610 0.0487 0.9513
518.84 207.895 0.1584 0.8416 0.0738 0.9262 0.0903 0.9097
534.72 194.737 0.2305 0.7695 0.1125 0.8875 0.1351 0.8649
549.98 181.579 0.3036 0.6964 0.1553 0.8447 0.1831 0.8169
564.67 168.421 0.3773 0.6227 0.2021 0.7979 0.2344 0.7656
578.86 155.263 0.4508 0.5492 0.2528 0.7472 0.2888 0.7112
592.65 142.105 0.5229 0.4771 0.3071 0.6929 0.3457 0.6543
606.17 128.947 0.5925 0.4075 0.3642 0.6358 0.4045 0.5955
619.59 115.790 0.6578 0.3422 0.4228 0.5772 0.4639 0.5361
633.09 102.632 0.7175 0.2825 0.4817 0.5183 0.5226 0.4774
646.82 89.474 0.7704 0.2296 0.5394 0.4606 0.5792 0.4208
660.90 76.316 0.8159 0.1841 0.5947 0.4053 0.6328 0.3672
675.34 63.158 0.8542 0.1458 0.6474 0.3526 0.6830 0.3170
690.00 50.000 0.8864 0.1136 0.6979 0.3021 0.7304 0.2696

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Petroleum Properties
UNIT 1, HC1, HEATING CRV (CONT)

PETROLEUM PROPERTIES (DRY BASIS) FOR STREAM 1

------------ API ------------- -------- WATSON K -------- ------------ MABP ------------
NO. TEMP PRES VAPOR LIQUID VAPOR LIQUID VAPOR LIQUID
DEG F PSIA DEG F
-------- ---------------- ---------------- ---------------- -------------------- -------------------- -------------------- -------------------- --------------------
1 375.00 300.00 N/A 45.37 N/A 11.59 N/A 352.95
2 397.85 286.84 N/A 45.37 N/A 11.59 N/A 352.95
3 420.54 273.68 N/A 45.37 N/A 11.59 N/A 352.95
4 442.80 260.53 N/A 45.37 N/A 11.59 N/A 352.95
5 464.65 247.37 N/A 45.37 N/A 11.59 N/A 352.95
6 482.54 240.79 N/A 45.37 N/A 11.59 N/A 352.95
7 485.06 234.21 94.03 44.97 12.97 11.59 83.04 358.31
8 502.31 221.05 89.21 43.59 12.82 11.59 100.06 377.26
9 518.84 207.89 84.87 42.22 12.69 11.59 116.88 397.37
10 534.72 194.74 80.85 40.87 12.58 11.60 133.74 418.61
11 549.98 181.58 77.13 39.53 12.47 11.61 150.62 441.18
12 564.67 168.42 73.69 38.20 12.37 11.62 167.44 465.36
13 578.86 155.26 70.52 36.86 12.29 11.64 184.03 491.58
14 592.65 142.11 67.61 35.51 12.21 11.66 200.22 520.36
15 606.17 128.95 64.97 34.15 12.14 11.69 215.82 552.30
16 619.59 115.79 62.56 32.78 12.08 11.73 230.65 588.09
17 633.09 102.63 60.39 31.41 12.02 11.78 244.54 628.35
18 646.82 89.47 58.44 30.07 11.97 11.85 257.39 673.61
19 660.90 76.32 56.69 28.76 11.92 11.93 269.20 724.11
20 675.34 63.16 55.10 27.52 11.88 12.02 280.08 780.05
21 690.00 50.00 53.62 26.33 11.83 12.13 290.30 841.80

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Transport Properties
TRANSPORT PROPERTIES FOR STREAM 1 - DRY

------------ VISCOSITY --------- THERMAL CONDUCTIVITY SURFACE
NO. TEMP PRES VAPOR LIQUID VAPOR LIQUID TENSION
DEG F PSIA CP BTU/HR-FT-F DYNE/CM
-------- ---------------- ------------ ------------------------ ------------------------ ---------------------------- ------------------------ ----------------------------
1 375.00 300.00 N/A 1.8478E-01 N/A 5.3554E-02 1.0498E+01
2 397.85 286.84 N/A 1.6162E-01 N/A 5.5944E-02 9.4909E+00
3 420.54 273.68 N/A 1.4747E-01 N/A 5.8416E-02 8.5082E+00
4 442.80 260.53 N/A 1.3424E-01 N/A 5.9906E-02 7.5627E+00
5 464.65 247.37 N/A 1.2188E-01 N/A 5.9389E-02 6.6536E+00
6 482.54 240.79 N/A 1.1225E-01 N/A 5.9125E-02 5.9244E+00
7 485.06 234.21 1.2894E-02 1.1380E-01 2.4703E-02 5.8868E-02 6.0246E+00
8 502.31 221.05 1.2822E-02 1.1490E-01 2.5001E-02 5.7973E-02 6.0332E+00
9 518.84 207.89 1.2745E-02 1.1685E-01 2.5414E-02 5.7061E-02 6.0987E+00
10 534.72 194.74 1.2660E-02 1.1962E-01 2.5757E-02 5.6141E-02 6.2138E+00
11 549.98 181.58 1.2571E-02 1.2325E-01 2.6043E-02 5.5220E-02 6.3787E+00
12 564.67 168.42 1.2481E-02 1.2787E-01 2.6288E-02 5.4303E-02 6.5968E+00
13 578.86 155.26 1.2392E-02 1.3367E-01 2.6508E-02 5.3394E-02 6.8728E+00
14 592.65 142.11 1.2309E-02 1.4086E-01 2.6719E-02 5.2497E-02 7.2118E+00
15 606.17 128.95 1.2233E-02 1.4969E-01 2.6938E-02 5.1615E-02 7.6186E+00
16 619.59 115.79 1.2170E-02 1.6046E-01 2.7185E-02 4.9179E-02 8.0958E+00
17 633.09 102.63 1.2119E-02 1.7345E-01 2.7473E-02 4.2532E-02 8.6427E+00
18 646.82 89.47 1.2084E-02 1.8892E-01 2.7812E-02 3.5520E-02 9.2541E+00
19 660.90 76.32 1.2061E-02 2.5006E-01 2.8205E-02 3.5553E-02 9.9210E+00
20 675.34 63.16 1.2049E-02 2.8938E-01 2.8646E-02 3.5694E-02 1.0634E+01
21 690.00 50.00 1.2042E-02 3.4749E-01 2.9116E-02 3.5972E-02 1.1395E+01

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Stream Component Flow Rates
STREAM MOLAR COMPONENT RATES FEBRUARY 1992
==============================================================================

STREAM ID 1
NAME CRUDE FEED
PHASE LIQUID

1 ETHANE 13.9300
2 PROPANE 195.0204
3 IBUTANE 90.5452
4 BUTANE 438.7959
5 PENTANE 710.4315
6 NBP 201 182.0873
7 NBP 222 358.4136
8 NBP 253 284.8538
9 NBP 284 253.2145
10 NBP 305 78.7155
11 NBP 315 77.9473
12 NBP 325 77.7037
13 NBP 335 77.9763
14 NBP 345 78.5716
15 NBP 355 79.4760
16 NBP 365 81.1465
17 NBP 375 83.6166
18 NBP 385 86.4399
19 NBP 395 88.8152
20 NBP 415 281.5705
21 NBP 446 256.5735
22 NBP 477 209.5189
23 NBP 509 171.6033
24 NBP 540 145.7779
25 NBP 571 125.6432
26 NBP 602 103.9804
27 NBP 634 83.9983
28 NBP 668 81.0876
29 NBP 706 69.4695
30 NBP 743 62.0425
31 NBP 781 56.7559
32 NBP 855 141.5945
33 NBP 973 90.4620
34 NBP 1085 72.7760
35 NBP 1195 28.0357
36 NBP 1302 23.0539
37 NBP 1456 32.3730


MOLE FRAC LIQUID 1.0000
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TBP/ASTM Distillation Curves
STREAM TBP/ASTM CURVES - DEG F FEBRUARY 1992
==============================================================================

STREAM ID 1
NAME CRUDE FEED

TBP AT 760 MM HG
0 LV PERCENT -52.728
5 36.827
10 94.514
30 330.342
50 475.955
70 669.834
90 1033.829
95 1186.806
100 1456.451
TBP AT 10 MM HG
5 -104.347
10 -60.875
30 121.942
50 239.095
70 400.439
90 721.102
95 863.304
100 1125.603
ASTM D86 AT 760 MM HG
5 71.901
10 131.588
30 340.571
50 470.536
70 647.826
90 993.468
95 1123.351
100 1352.291
0 LV PERCENT -8.427
5 57.520
10 100.156
30 335.995
50 475.955
70 669.834
90 1033.829
95 1186.806
100 1456.451
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TBP/ASTM Distillation Curves, contd.
ASTM D86 AT 760 MM HG WITH CRACKING
5 71.901
10 131.588
30 340.571
50 470.536
70 624.543
90 812.687
95 850.412
100 898.846
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DE-IC4 TOWER
Deisobutanizer You have to design a deisobutanizer to separate isobutane and lighter from butane
and heavier, using distillation with a volumetric reflux ratio of 4.5 with respect to the
feed, and 25 percent by volume of the feed recovered as overhead product.
Process
Data
The flow sheet is shown in Figure R2-1.
Figure R2.1
Deisobutanizer Column
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PRO/II APPLICATION BRIEFS DE-IC4 TOWER R2-1
February 1991
Table R2.1 shows the composition of the feed stream.
Table R2.1
Feed Stream Composition
Component Feed
(LV %)
C3 1.4
iC4 33.8
nC4 64.6
iC5 0.2
The known process conditions are shown in Table R2.2.
Table R2.2
Process Conditions
Pressure
(psia)
Temperature
(deg F)
Rate
(bbl/Hr)
Feed
200 140 630
Condenser
140
10 below
bubble
point
Column Top
145
Column Bottom
153.5
Methods and
Data
The Grayson-Streed method has been chosen to calculate K-values. Most hydro-
carbon refinery simulations with components ranging from propane through gas oils
are handled well with the Grayson-Streed method. Lee-Kesler enthalpies are used
since these are in good agreement with API data book enthalpy procedures.
Lee-Kesler densities are quite satisfactory for hydrocarbon systems up to about C10
carbon number.
Simulation
Model
The column is modeled as an ordinary distillation column with 66 theoretical stages
including the condenser and reboiler. The feed is introduced on tray 35. The
condenser is modeled as a total condenser at a temperature 10 F below the
calculated bubble point. The reboiler and condenser duties are varied to meet the
specifications.
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R2-2 DE-IC4 TOWER PRO/II APPLICATION BRIEFS
February 1991
The simulation uses the initial estimate generator model CONVENTIONAL to gen-
erate temperature and flow profiles. This model is recommended for conventional
columns with reboiler and condensers.
Input Data Standard English units have been chosen and LIQV=BBL in order to change the
default liquid volume units of FT3 to BBL (barrels).
Output The following data were extracted from the PRO/II output:
1) Column summary
2) Condenser HCURVE
3) Stream molar flow rates
TITLE PROBLEM=R2, PROJECT=APPBRIEFS,*
USER=SIMSCI, DATE=SEPTEMBER 90
DIME ENGLISH, LIQV=BBL
PRINT MBAL
COMPONENT DATA
LIBI 1,PROPANE/2,IBUTANE/3,BUTANE/4,IPENTANE
THERMODYNAMIC DATA
METHOD SYSTEM=GS, ENTHALPY=LK
STREAM DATA
PROP STREAM=1,TEMP=140,PRES=200,RATE(V)=630,*
COMP(V)=1.4/33.8/64.6/0.2
NAME 1,FEED/2,OVERHEAD/3,BOTTOMS
COLUMN UID=T-1,NAME=DEISOBUT
PARA TRAY=66,IO=35
FEED 1,35
PROD OVHD=2,BTMS=3,1200
COND TYPE=DTBB,DT=10,PRES=140
PSPE TOP=145,DPCOL=8.5
HEAT 1,1/2,66
SPEC STREAM=2,RATE(V),RATION,STREAM=1,VALUE=0.25
SPEC TRAY=1,PHASE=L,RATE(V),RATION,STREAM=1,VALUE=4.5
VARY HEAT=1,2
ESTI MODEL=CONVENTIONAL,RRATIO=10
PRIN ITER=NONE,PROP=BRIEF
HCURVE UID=H1,NAME=C_C_CURVE
ISO COLUMN=T-1,HEAT=1
END
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DEISOBUTANIZER COLUMN SUMMARY

IN/OUT METHOD 3

COLUMN SUMMARY

- - -
1 133.3 140.00 9716.6 539.9L -75.6956
2 149.0 145.00 10418.5 10256.4
3 150.7 145.13 10447.1 10958.4
4 151.5 145.27 10462.6 10987.0
5 152.0 145.40 10470.9 11002.5
6 152.2 145.53 10475.6 11010.8
7 152.4 145.66 10478.3 11015.5
8 152.5 145.80 10480.0 11018.2
9 152.7 145.93 10480.9 11019.8
10 152.8 146.06 10481.3 11020.8
11 152.9 146.20 10481.1 11021.1
12 153.0 146.33 10480.3 11020.9
13 153.2 146.46 10478.8 11020.1
14 153.4 146.59 10476.5 11018.6
15 153.5 146.73 10473.3 11016.3
16 153.7 146.86 10469.0 11013.2
17 153.9 146.99 10463.5 11008.9
18 154.2 147.13 10456.7 11003.4
19 154.5 147.26 10448.3 10996.6
20 154.8 147.39 10438.2 10988.2
21 155.2 147.52 10426.3 10978.1
22 155.6 147.66 10412.5 10966.2
23 156.0 147.79 10396.6 10952.4
24 156.6 147.92 10378.9 10936.5
25 157.1 148.05 10359.2 10918.8
26 157.8 148.19 10337.8 10899.1
27 158.5 148.32 10315.0 10877.7
28 159.2 148.45 10291.2 10854.9
29 160.1 148.59 10266.7 10831.1
30 160.9 148.72 10241.9 10806.5
31 161.8 148.85 10217.5 10781.8
32 162.7 148.98 10193.8 10757.4
33 163.6 149.12 10171.0 10733.6
34 164.5 149.25 10149.5 10710.9
35 165.4 149.38 12675.4 10689.4 2194.6L
36 165.7 149.52 12681.8 11020.7
37 165.9 149.65 12686.4 11027.1
38 166.0 149.78 12690.0 11031.7
39 166.2 149.91 12692.8 11035.3
40 166.3 150.05 12695.1 11038.1
41 166.5 150.18 12697.0 11040.4
42 166.6 150.31 12698.5 11042.3
43 166.8 150.45 12699.6 11043.8
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DEISOBUTANIZER COLUMN SUMMARY (CONT)
44 166.9 150.58 12700.2 11044.9
45 167.1 150.71 12700.3 11045.5
46 167.3 150.84 12699.7 11045.6
47 167.5 150.98 12698.6 11045.1
48 167.8 151.11 12696.8 11044.0
49 168.1 151.24 12694.2 11042.2
50 168.3 151.37 12690.9 11039.6
51 168.7 151.51 12686.6 11036.2
52 169.0 151.64 12681.5 11031.9
53 169.4 151.77 12675.4 11026.8
54 169.8 151.91 12668.4 11020.7
55 170.2 152.04 12660.4 11013.7
56 170.7 152.17 12651.5 11005.7
57 171.2 152.30 12641.7 10996.8
58 171.7 152.44 12631.2 10987.1
59 172.3 152.57 12620.0 10976.5
60 172.9 152.70 12608.2 10965.3
61 173.5 152.84 12596.0 10953.5
62 174.2 152.97 12583.5 10941.3
63 174.8 153.10 12570.8 10928.8
64 175.5 153.23 12557.9 10916.1
65 176.2 153.37 12544.3 10903.2
66 176.9 153.50 10889.7 1654.7L 77.8945
-
FEED 1 LIQUID 35 1.0000 2194.56 8.2157
PRODUCT 2 LIQUID 1 539.87 1.8217
PRODUCT 3 LIQUID 66 1654.67 8.5729

OVERALL HEAT BALANCE, (H(IN) - H(OUT) ) 0.0200

SPECIFICATIONS

- -
STRM 2 1 VOL RATIO 2.500E-01 2.500E-01
TRAY LIQ 1 VOL RATIO 4.500E+00 4.499E+00
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CONDENSER COOLING CURVE
ISOTHERMAL COOLING CURVE FOR UNIT 1, T-1 , HEATER NO. 1, TRAY NO. 1
TOTAL DUTY = -7.56941E+01 MM BTU/HR
- MOLAR FLOW RATE ENTHALPY
TEMP PRES VAPOR LIQUID WATER VAPOR LIQUID WATER TOTAL
DEG F PSIA M LB-MOL/HR MM BTU/HR
- - - - -
149.03 145.000 10.256 0.000 0.000 110.3038 0.0000 0.0000 110.3038
D 148.90 144.750 10.256 0.000 0.000 110.2822 0.0000 0.0000 110.2822
147.45 144.500 4.309 5.947 0.000 45.9686 23.2459 0.0000 69.2145
145.88 144.000 0.864 9.392 0.000 9.1456 36.0709 0.0000 45.2165
B 145.30 143.750 0.000 10.256 0.000 0.0000 39.1390 0.0000 39.1390
144.30 143.500 0.000 10.256 0.000 0.0000 38.7581 0.0000 38.7581
142.73 143.000 0.000 10.256 0.000 0.0000 38.1602 0.0000 38.1602
141.15 142.500 0.000 10.256 0.000 0.0000 37.5640 0.0000 37.5640
139.58 142.000 0.000 10.256 0.000 0.0000 36.9696 0.0000 36.9696
138.00 141.500 0.000 10.256 0.000 0.0000 36.3771 0.0000 36.3771
136.43 141.000 0.000 10.256 0.000 0.0000 35.7862 0.0000 35.7862
134.85 140.500 0.000 10.256 0.000 0.0000 35.1971 0.0000 35.1971
133.28 140.000 0.000 10.256 0.000 0.0000 34.6097 0.0000 34.6097
WEIGHT FLOW RATE MOLECULAR WEIGHT DRY STD SPGR
TEMP PRES VAPOR LIQUID WATER VAPOR LIQUID VAPOR LIQUID
DEG F PSIA M LB/HR (AIR=1.0)
- - - - -
149.03 145.000 586.67 0.00 0.00 57.20 0.00 1.9749 0.0000
148.90 144.750 586.67 0.00 0.00 57.20 0.00 1.9749 0.0000
147.45 144.500 244.95 341.72 0.00 56.84 57.46 1.9626 0.5609
145.88 144.000 48.82 537.85 0.00 56.49 57.27 1.9504 0.5602
145.30 143.750 0.00 586.67 0.00 0.00 57.20 0.0000 0.5600
144.30 143.500 0.00 586.67 0.00 0.00 57.20 0.0000 0.5600
142.73 143.000 0.00 586.67 0.00 0.00 57.20 0.0000 0.5600
141.15 142.500 0.00 586.67 0.00 0.00 57.20 0.0000 0.5600
139.58 142.000 0.00 586.67 0.00 0.00 57.20 0.0000 0.5600
138.00 141.500 0.00 586.67 0.00 0.00 57.20 0.0000 0.5600
136.43 141.000 0.00 586.67 0.00 0.00 57.20 0.0000 0.5600
134.85 140.500 0.00 586.67 0.00 0.00 57.20 0.0000 0.5600
133.28 140.000 0.00 586.67 0.00 0.00 57.20 0.0000 0.5600

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CONDENSER COOLING CURVE (CONT)
STREAM COMPONENT FLOW RATES
TEMP PRES MOLE FRACTION WEIGHT FRACTION DRY LV FRACTION
DEG F PSIA VAPOR LIQUID VAPOR LIQUID VAPOR LIQUID
-
149.03 145.000 1.0000 0.0000 1.0000 0.0000 1.0000 0.0000
148.90 144.750 1.0000 0.0000 1.0000 0.0000 1.0000 0.0000
147.45 144.500 0.4201 0.5799 0.4175 0.5825 0.4184 0.5816
145.88 144.000 0.0843 0.9157 0.0832 0.9168 0.0836 0.9164
145.30 143.750 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
144.30 143.500 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
142.73 143.000 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
141.15 142.500 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
139.58 142.000 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
138.00 141.500 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
136.43 141.000 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
134.85 140.500 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
133.28 140.000 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
STREAM ID 1 2 3
NAME FEED OVERHEAD BOTTOMS
PHASE LIQUID LIQUID LIQUID

1 PROPANE 35.5578 35.5577 8.6056E-09
2 IBUTANE 722.3623 503.5215 218.8214
3 BUTANE 1432.8331 0.7874 1432.0365
4 IPENTANE 3.8080 2.0816E-13 3.8080


TEMPERATURE, F 140.0000 133.2774 176.8651
PRESSURE, PSIA 200.0000 140.0000 153.5000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000
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CRUDE OIL DISTILLATION
The feed to a refinery often changes every few days. An existing refinery has
received an Indonesian crude oil and you must simulate the atmospheric distillation
column to establish the correct operating conditions for a throughput of 120,000
barrels/day. The crude unit configuration and typical operating data are shown in
Figure R3.1. The products must meet the specified D86 and TBP points in Table
R3.1, and the yields are to be calculated.
Figure R3.1
Crude Distillation Column
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February 1991
Table R3.1
ASTM D86 (F)
LV % Naphtha Kerosene Diesel Gas Oil Topped
Crude
0
- 330 460 555 -
5
- 380 530 635 (695)
*
95
340 520 665 (885)
*
-
100
370 550 705 (955)
*
-

*
Figures in parentheses are TBP points rather than ASTM.
Process Data For this simulation, the stripping stream and pumparound cooling shown on Figure
R3.1 are used.
The crude oil has been analysed as an atmospheric TBP curve and defined lightend
components as shown in Table R3.2.
Table R3.2
CRUDE OIL DATA
TBP @ 760 mm Hg Lightends
LV% Temp (F) LV% Temp (F) Component LV%
5
149
50 690 Ethane
0.1
10
208
60 770 Propane
0.2
20
330
70 865 i-Butane
0.3
30
459
80 980 n-Butane
0.7
40
590
100 1600 i-Pentane
0.5
n-Pentane
1.2
Average API gravity
29.2
Total
3.0
The laboratory data for the TBP curve are supplied only up to the 80% point. A
typical value is assumed for the 100% point to assist the extrapolation of the curve.
Methods
and Data
The GS thermodynamic system is recommended for calculating K-values and
enthalpies in crude and vacuum systems. The BK10 system may also be used, but
it tends to predict slightly less vaporization. Column temperatures can generally be
matched with either system. If not, the column pressure data are probably in error.
Accurate characterization of the crude oil is vital for good simulation results. The
greatest errors often appear in the residue stream and can lead to poor results when
simulating the downstream vacuum column. The characterization may be improved
by supplying gravity and molecular weight data if they are available.
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R3-2 CRUDE OIL DISTILLATION PRO/II APPLICATION BRIEFS
February 1991
The program automatically generates a number of petroleum fractions and calcu-
lates the molecular weight, gravity, and boiling point for each. These are then used
in standard petroleum correlations to generate all the other required properties.
The TBP curve must be matched to the lightends data to produce a smooth curve.
To assist this, the boiling point (97 F) of the n-pentane is input as an additional 3.0%
point at the front of the curve.
Viscosity and thermal conductivity data are generated for the streams for use in
other calculations. The API data book method is selected for the liquid viscosities.
For crude oil streams, these data are more accurate than the PETRO option used
for the other transport properties.
Simulation
Model
(Shortcut)
The first step in the simulation is to ensure that it is possible to produce the specified
products from the crude oil feed and establish the material balance. The multidraw
shortcut distillation model (MODEL = REFINE) is a quick and easy tool for these
calculations. This model uses the Fenske calculation method and considers the
column to be a series of two-product columns as shown in Figure R3.2. The
condenser is simulated with an external flash drum.
The specifications chosen for the shortcut model define the separation in each
section. For this simulation, the 95% distillation points and 5-95% gaps are used.
The data are taken from Table R3.1.
5% and 95% points should always be used instead of initial and end points, as they
are generally more accurate. The simulated end points are affected by the number
of petroleum cuts, the parameter TBPEP (on the ASSAY statement in Component
Data) which defaults to 98%, and the Fenske model itself, which tends to overfrac-
tionate on the product tails. In addition, the shortcut simulation ignores the side-
strippers which also affect the ends of the curves.
Figure R3.2
Shortcut Crude Unit Model
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In the shortcut model, all the stripping steam is added with the feed. The main effect
of this on the simulation results is that the influence of the steam on the product
temperatures is not modeled, and the calculated temperatures will be high.
Input Data
(Shortcut)
The simulation units are defined as English but with pressure as psig and liquid
volumes in barrels. As crude oil has no defined components, the component flow
rate output is suppressed, and only the stream summary is printed. The PRINT TBP
option gives the TBP and ASTM curves for all hydrocarbon streams.
It is not known whether or not there will be any vapor product from the column. As
there may be vapor, the condenser is defined as mixed phase at the defined
temperature.
The MODEL=REFINE option specifies no reflux between sections in the column.
The default would assume total reflux between the sections. The product rate
estimates are supplied as volume percent cutpoints on the crude oil feed.
Input Data File:
TITLE PROBLEM=R3S,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DIMEN PRESS=PSIG,LIQV=BBL
PRINT STREAM=SUMMARY,TBP
COMPONENT DATA
LIBID 1,H2O/2,C2 /3,C3 /4,IC4/5,NC4/6,IC5/7,NC5
THERMODYNAMIC DATA
METHODS SYSTEM=GS,COND=PETR,VISC(V)=PETR,VISC(L)=API
STREAM DATA
PROP STREAM=1,TEMP=450,PRES=14,RATE(V)=5000,ASSAY=LV
TBP STREAM=1,PRES(MMHG)=760,&
DATA=3,97/5,149/10,208/20,330/30,459/40,590/&
50,690/60,770/70,865/80,980/100,1600
API STREAM=1,AVG=29.2
LIGHT STREAM=1,PERCENT(V)=3,&
COMP(V)=2,0.1/3,0.2/4,0.3/5,0.7/6,0.5/7,1.2
PROP STREAM=WATR,TEMP=600,PRES=60,PHASE=V,COMP(W)=20000
NAME 1,CRUDE FEED/9,NAPHTHA/10,KEROSENE/11,DIESEL/&
12,GAS OIL/20,TOPPED CRUDE
UNIT OPERATIONS
SHORTCUT UID=SC01,NAME=CRUDE TOWER
FEED 1,WATR
PROD STREAM=89,PHASE=M,PRESS=8.5,CUTP(V)=25
PROD STREAM=10,PHASE=L,CUTP(V)=40,PRES=11.8
PROD STREAM=20,PHASE=L,PRES=14.4
COND TYPE=MIXED,TEMP=110
EVAL MODEL= REFINE
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Output
(Shortcut)
The shortcut column results are shown on the next page. The shortcut model
predicts the minimum number of trays, calculated at total reflux, needed to meet the
specified separations. Typical values for crude oil separations for each column
section are shown in Table R3.3.
Table R3.3
TYPICAL SHORTCUT TRAYS
Column Section Minimum Trays
Naphtha - Kerosene
3.5 - 5.0
Kerosene - Diesel
2.5 - 3.5
Diesel - Gas oil
2.0 - 3.0
Gas oil -Topped crude
1.3 - 1.8
As long as the shortcut model reports figures within these ranges, the separations
will be feasible. Significant departures from these values mean a difficult, if not
impossible, separation.
The simulation predicted no overhead vapor at the desired condenser conditions.
This is not unusual for crude unit simulations because some lightends may have
been lost in sampling the crude oil, or because lightends produced by cracking in
the furnace are not included in the simulation model.
Once the shortcut model is solved, the material balance is defined. If difficulties
occur solving the rigorous model, then the heat balance is likely to be at fault.
SPEC STREAM=89,D86(95),VALUE=340
SPEC STREAM=10,D86(5),DIFF,STREAM=89,D86(95),VALUE=40
SPEC STREAM=11,D86(5),DIFF,STREAM=10,D86(95),VALUE=10
SPEC STREAM=12,D86(5),DIFF,STREAM=11,D86(95),VALUE=-30
SPEC STREAM=12,TBP(95),VALUE=885
FLASH UID=FL01,NAME=CONDENSER
FEED 89
PROD V=8,L=9,W=7
ISO TEMP=110,PRES= 5.3
END
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SHORTCUT COLUMN OUTPUT
UNIT 1, SC01, CRUDE TOWER
FEEDS
STREAM PHASE
------------ ------------
1 MIXED
WATR VAPOR
PRODUCTS
STREAM PHASE -------------------- MATERIAL BALANCES -------------------- SECTION NO OF
LB-MOL/HR LB/HR BBL/HR TRAYS
------------ ------------ --------------------------------------------------------------------------------- ------------- ---------
89 MIXED 2878.68 279901.38 1090.22 1 4.49
WATER 1105.36 19913.15 56.89
10 LIQUID 1047.10 184786.42 641.70 2 3.73
11 LIQUID 574.76 144886.42 477.04 3 2.76
12 LIQUID 715.23 236618.47 747.78 4 1.43
20 LIQUID 1337.39 695517.88 2043.50
TOTALS 7658.53 1561623.75 5057.14 12.41
SPECIFICATIONS
PARAMETER COMP. SPECIFICATION SPECIFIED CALCULATED
TYPE NO TYPE VALUE VALUE
----------------- ------------- ------------------------- -------------------- --------------------
STRM 89 D86 95 PCT 3.400E+02 3.400E+02
STRM 10 D86 5 PCT 4.000E+01 4.000E+01
STRM 10 D86 95 PCT 5.200E+02 5.200E+02
STRM 11 D86 5 PCT 1.000E+01 9.999E+00
STRM 11 D86 95 PCT 6.650E+02 6.650E+02
STRM 12 D86 5 PCT -3.000E+01 -3.001E+01
STRM 12 TBP 95 PCT 8.850E+02 8.850E+02
STRM 20 TBP 5 PCT 6.950E+02 6.950E+02
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Simulation
Model
(Rigorous)
The number of theoretical trays must be established for the rigorous distillation.
This may be obtained by:
- applying typical overall tray efficiencies to the number of actual trays
- using values from previous simulations of the column
- assuming that the number of theoretical trays is about twice the minimum
number
In this example, typical efficiencies were used to get the configuration of the model
shown in Figure R3.3.
Figure R3.3
Rigorous Crude Unit Model
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Virtually all the heat in the distillation enters with the crude oil feed, and so it is vital
that the feed temperature is correct. For this reason, the furnace and flash zone
are included in the simulation as a heat source on the feed tray. The feed is specified
as liquid at the flash zone pressure to ensure that no flash is performed and all the
feed is placed on this tray. The furnace duty is then calculated to match the specified
liquid runback into the flash zone.
Only one other specification can be made on the main column, together with one
on each sidestripper, and so not all the distillation specifications on the shortcut can
be used. The best strategy is to specify one distillation point or gap for each product,
except for the topped crude. The topped crude is not usually specified since this
has the greatest uncertainty. Specifying the 95% points generally gives good
results. If large differences appear at the top of the curves, then the simulation may
be improved by specifying some 5% points. The specification variables are the
condenser duty and the side product draw rates.
As for the shortcut simulation, 5% and 95% points are used in preference to initial
and end points.
The circulation rates for the pumparound cooler circuits are calculated to meet the
desired cooling duties and return temperatures.
When specifying sidecooler duties, be wary of duties which are based on measured
pumparound rates. These are notoriously inaccurate, and too much cooling will dry
up the liquid leaving the tray above the cooler. The subsequent calculation failure
reflects the operational failure of the actual column when drying up occurs. If
pumparound duties are uncertain, they may be calculated to meet specified liquid
runbacks.
The shortcut model showed that there is no overhead vapor. Therefore, the
condenser is defined as TYPE = TFIX, which is total at a fixed temperature.
Solution of the main column is enhanced by using the molal product flows deter-
mined in the shortcut simulation as initial estimates. The REFINERY model is used
to generate the initial solution profiles
The temperature of the oil leaving the furnace is not the same as the flash zone
temperature. In order to calculate the furnace temperature, a flash is used to add
the calculated furnace duty to the feed stream.
Input Data
(Rigorous)
The dimensional units and printout options for the rigorous simulation are the same
as were used in the shortcut model. The steam feeds are now fed to the bottom of
the main column and to the sidestrippers.
The column is defined as a refinery unit, and a damping factor of 0.8 is automatically
applied to the IO solution method. This damping assists in the convergence of this
type of column.
The sidestrippers are entered as separate units, but PRO/II solves them simultane-
ously with the main column.
The column feed temperature is not calculated until after the column has been
converged.
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Input Data File:
TITLE PROBLEM=R3R,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DIMEN PRES=PSIG,LIQV=BBL
COMPONENT DATA
LIBID 1,H2O/2,C2/3,C3/4,IC4/5,NC4/6,IC5/7,NC5
THERMODYNAMIC DATA
METHODS SYSTEM=GS,COND=PETR,VISC(V)=PETR,VISC(L)=API
STREAM DATA
PROP STREAM=1,TEMP=450,PRES=14,PHASE=L,RATE(V)=5000,ASSAY=LV
TBP STREAM=1,PRES(MMHG)=760,&
DATA=3,97/5,149/10,208/20,330/30,459/40,590/&
50,690/60,770/70,865/80,980/100,1600
API STREAM=1,AVG=29.2
LIGHT STREAM=1,PERCENT(V)=3,&
COMP(V)=2,0.1/3,0.2/4,0.3/5,0.7/6,0.5/7,1.2
PROP STREAM=2,TEMP=600,PRES=60,PHASE=V,RATE(W)=10000,&
COMP=1,100
COMP=1,100
COMP=1,100
COMP=1,100
NAME 1,CRUDE FEED/9,NAPHTHA/10,KEROSENE/11,DIESEL/&
12,GAS OIL/20,TOPPED CRUDE
UNIT OPERATIONS
COLUMN UID=COL1,NAME=CRUDE TOWER
PARAM TRAY=20,DAMP=0.8
FEED 1,18/ 2,20/ 18,15/ 16,11/ 14,7
COND TYPE=TFIX,TEMP=110
PROD OVHD=9,2879,WATER=7,1,1105,BTMS=20,&
LDRAW=15,8,1047/17,12,575/19,16,715
DUTY 1,1/2,18/3,13,-40/4,9,-50/5,2,-50
VARY DUTY=1,2
PA FROM=14,TO=13,PHASE=L,TEMP=450
PRESS 1,5.3/2,8.5/18,12.5/20,13.0
ESTI MODEL=REFINERY
SPEC COLUMN=COL1,TRAY=17,PHASE=L,RATE(V),RATIO,&
STREAM=1,VALUE=0.03
SIDESTRIPPER UID=SS01,NAME=KERO STRIP
PARAM TRAY=2
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FEED 15,1/ 5,2
PSPEC TOP=11.8
VARY FEED=15
SIDESTRIPPER UID=SS02,NAME=DIESEL STRIP
PARAM TRAY=2
FEED 17,1/ 4,2
PSPEC TOP=12.5
VARY FEED=17
SIDESTRIPPER UID=SS03,NAME=AGO STRIP
PARAM TRAY=2
FEED 19,1/ 3,2
PROD OVHD=18, BTMS=12,715
PSPEC TOP=13.3
VARY FEED=19
FLASH UID=FL1,NAME=FEED TEMP
FEED 1
PROD M=1A
DEFINE PRES AS COLUMN=COL1,TRAY=18,PRES
DEFINE DUTY AS COLUMN=COL1,DUTY(2)
END
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COMPARISON OF SHORTCUT AND RIGOROUS RESULTS
The product qualities are compared below:
ASTM D86 (F)
Naphtha Kerosene Diesel Gas Oil
LV% S/C Rig S/C Rig S/C Rig S/C Rig
0 -52 -52 358 304 510 450 596 490
5 78 78 380 374 530 513 635 613
10 130 130 389 390 537 528 646 639
50 218 218 433 431 585 585 715 717
90 314 315 500 499 646 648 816 817
95 340 340 520 520 665 665 842 842
100 376 367 559 562 700 696 890 884
Bbl/hr
1090 1083 642 612 477 525 798 699
API
61.5 61.5 40.6 40.7 31.6 31.8 25.1 25.2
TBP @ 760 mm Hg (F)
Gas Oil Topped Crude
LV% S/C Rig S/C Rig
0 520 422 463 548
5 611 593 695 695
10 637 630 747 743
50 727 728 972 968
90 850 851 1447 1445
95 885 885 1523 1522
100 949 942 1548 1548
Bbl/hr
748 699 2043 2071
API
25.1 25.2 14.1 14.1

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There is good agreement between the 5% and 95% points, especially towards the
top of the column. The fractionation on the product front ends (0-5%) is sharper
with the shortcut model, while the rigorous simulation predicts better fractionation
on the tail ends (95-100%). This is largely due to the simplifying assumptions of the
shortcut model and the presence of the sidestrippers in the rigorous simulation.
Because of the simplification in the way the steam feeds are handled in the shortcut
model, the product temperatures will not match. The rigorous values should always
be used.
Results The simulation shows that the column can be operated to produce the required
products. The yield of each product is shown in the output. The pumparound rates,
furnace and condenser duties have also been calculated along with the actual
temperature of the oil leaving the furnace.
The flash output below shows that the furnace outlet temperature is 694.5 F, while
the column output shows that the flash zone is at 692.9 F.
Output
(Rigorous)
The column summaries show the output for the main column and the sidestrippers.
Tables may also be produced with vapor and liquid rates, densities and transport
properties, but these are not presented here.
The stream component output was suppressed and only the stream summaries are
printed. A sample of the stream summary is show for both wet and dry basis
properties. Part of the distillation curve output is shown for the feed and some
product streams. All pure water streams are omitted from this output.
Finally, a comparison is presented of the analyses of the shortcut and rigorous
products.

FEED TEMPERATURE FLASH

FLASH ID FL1
NAME FEED TEMP

FEEDS 1
PRODUCTS MIXED 1A
PRESSURE DROP, PSI 1.500
FLASH TYPE ADIABATIC-P
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CRUDE COLUMN SUMMARY
UNIT 1, COL1, CRUDE TOWER
IN/OUT METHOD 14
COLUMN SUMMARY
------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- ------------------------
1 110.0 5.30 2424.1 2875.9L -135.2194
1077.6W
2 274.3 8.50 9778.5 6377.6 -50.0000
3 311.4 8.75 5091.8 8713.7
4 339.1 9.00 5017.3 9045.3
5 355.3 9.25 4849.2 8970.8
6 368.6 9.50 4573.5 8802.6
7 383.7 9.75 4122.9 8527.0 457.8V
8 406.1 10.00 2284.7 7618.6 1248.2L
9 438.6 10.25 6078.8 7028.5 -50.0000
10 471.1 10.50 3374.3 8300.2
11 503.9 10.75 2947.3 8118.1 437.2V
12 533.0 11.00 1664.0 7254.0 829.4L
13 562.7 11.25 3871.8 6800.0 -40.0000
14 592.8 11.50 2170.2 7455.4
15 619.5 11.75 1806.0 7306.2 164.9V
16 642.8 12.00 486.2 6777.1 771.5L
17 673.5 12.25 132.6 6228.8
18 693.5 12.50 1598.0 5875.2 6548.3M 291.7956
19 690.2 12.75 1477.6 792.3
20 684.4 13.00 671.8 555.1V 1360.9L
SIDESTRIPPER SS01
1/ 21 392.0 11.80 1139.5 1248.2L 457.8V
2/ 22 377.0 11.80 349.1 222.0V 1012.4L
SIDESTRIPPER SS02
1/ 23 519.5 12.50 740.8 829.4L 437.2V
2/ 24 503.9 12.50 348.6 249.8V 642.0L
SIDESTRIPPER SS03
1/ 25 639.4 13.30 736.8 771.5L 164.9V
2/ 26 633.3 13.30 130.2 83.3V 689.8L
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CRUDE COLUMN SUMMARY (Cont)
UNIT 1, COL1, CRUDE TOWER (CONT)
------------- ------------ ------------ -------- -------- ---------------- ------------------------ ------------------------
FEED 14 VAPOR 7 0.0000 457.82 14.5426
FEED 16 VAPOR 11 0.0000 437.20 18.6622
FEED 18 VAPOR 15 0.0000 164.95 9.8699
FEED 1 MIXED 18 0.5778 6548.34 326.2005
FEED 2 VAPOR 20 0.0000 555.09 13.3040
PRODUCT 9 LIQUID 1 2875.90 3.4362
PRODUCT 7 WATER 1 1077.59 1.5132
PRODUCT 15 LIQUID 8 1248.19 35.8340
PRODUCT 17 LIQUID 12 829.36 49.0964
PRODUCT 19 LIQUID 16 771.50 78.1636
PRODUCT 20 LIQUID 20 1360.87 231.1219
SIDESTRIPPER SS01
FEED 15 LIQUID 21 1.0000 1248.19 35.8340
FEED 5 VAPOR 22 0.0000 222.04 5.3216
PRODUCT 14 VAPOR 21 457.82 14.5426
PRODUCT 10 LIQUID 22 1012.40 26.6130
SIDESTRIPPER SS02
FEED 17 LIQUID 23 1.0000 829.36 49.0964
FEED 4 VAPOR 24 0.0000 249.79 5.9868
PRODUCT 16 VAPOR 23 437.20 18.6622
PRODUCT 11 LIQUID 24 641.96 36.4206
SIDESTRIPPER SS03
FEED 19 LIQUID 25 1.0000 771.50 78.1636
FEED 3 VAPOR 26 0.0000 83.26 1.9956
PRODUCT 18 VAPOR 25 164.95 9.8699
PRODUCT 12 LIQUID 26 689.81 70.2886
PUMPAROUNDS
FROM TO FROM TO FROM TO LB-MOL/HR M LB/HR STD BBL/HR
-------- -------- ------------- ------------- ------------- ------------- -------------------- -------------------- --------------------
14 13 592.8 450.0 1.0000 1.0000 1552.37 422.898 1374.45
10 9 471.1 310.0 1.0000 1.0000 2522.48 505.309 1719.86
3 2 311.4 175.0 1.0000 1.0000 5018.31 654.301 2385.77
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CRUDE COLUMN SUMMARY (Cont)
UNIT 1, COL1, CRUDE TOWER (CONT)
SPECIFICATIONS
----------------- -------- ------------ ------------------------- -------------------- --------------------
TRAY LIQ 17 VOL RATIO 3.000E-02 3.002E-02
STRM 9 1 D86 95 PCT 3.400E+02 3.400E+02
STRM 10 22 D86 95 PCT 5.200E+02 5.200E+02
STRM 11 24 D86 95 PCT 6.650E+02 6.651E+02
STRM 12 26 TBP 95 PCT 8.850E+02 8.851E+02
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PRODUCT STREAM SUMMARY
STREAM ID 10 11 12 14
NAME KEROSENE DIESEL GAS OIL
PHASE WET LIQUID WET LIQUID WET LIQUID WET VAPOR

--------- TOTAL STREAM ---------
RATE, LB-MOL/HR 1012.402 641.956 689.814 457.823
M LB/HR 175.903 158.610 224.796 39.007
TEMPERATURE, F 377.003 503.923 633.265 391.983
PRESSURE, PSIG 11.800 12.500 13.300 11.800
BTU/LB 151.294 229.623 312.677 372.817
--------- TOTAL VAPOR ------------
RATE, LB-MOL/HR N/A N/A N/A 457.823
M LB/HR N/A N/A N/A 39.007
M FT3/HR N/A N/A N/A 154.537
STD VAP RATE(1), M FT3/HR N/A N/A N/A 173.735
MOLECULAR WEIGHT N/A N/A N/A 85.202
ENTHALPY, BTU/LB N/A N/A N/A 372.817
CP, BTU/LB-F N/A N/A N/A 0.537
DENSITY, LB/M FT3 N/A N/A N/A 252.414
THERMAL COND, BTU/HR-FT-F N/A N/A N/A 0.01652
VISCOSITY, CP N/A N/A N/A 0.01088
--------- TOTAL LIQUID ---------
RATE, LB-MOL/HR 1012.402 641.956 689.814 N/A
M LB/HR 175.903 158.610 224.796 N/A
BBL/HR 724.057 645.271 917.344 N/A
GAL/MIN 506.838 451.688 642.139 N/A
STD LIQ RATE, BBL/HR 611.476 523.015 711.077 N/A
MOLECULAR WEIGHT 173.748 247.073 325.880 N/A
ENTHALPY, BTU/LB 151.294 229.623 312.677 N/A
CP, BTU/LB-F 0.614 0.657 0.707 N/A
DENSITY, LB/BBL 242.941 245.804 245.051 N/A
TH COND, BTU/HR-FT-F 0.05023 0.04356 0.03833 N/A
VISCOSITY, CP 0.27647 0.27529 0.27323 N/A
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PRODUCT STREAM SUMMARY (Cont)
STREAM ID 10 11 12 14
NAME KEROSENE DIESEL GAS OIL
PHASE WET LIQUID WET LIQUID WET LIQUID WET VAPOR

------------ DRY STREAM ------------
RATE, LB-MOL/HR 1004.161 636.901 685.516 242.392
M LB/HR 175.754 158.519 224.719 35.126
PRES (KAYS RULE) 0.0807 0.1096 0.1439 0.0704
ACENTRIC FACTOR 0.5145 0.6311 0.7448 0.4487
WATSON K (UOPK) 11.733 11.732 11.732 11.744
API GRAVITY 40.765 31.896 25.235 45.978
------------ DRY VAPOR -------------
RATE, LB-MOL/HR N/A N/A N/A 242.392
M LB/HR N/A N/A N/A 35.126
M FT3/HR N/A N/A N/A 80.545
STD VAP RATE(1), M FT3/HR N/A N/A N/A 91.983
SPECIFIC GRAVITY (AIR=1.0) N/A N/A N/A 5.003
MOLECULAR WEIGHT N/A N/A N/A 144.916
Z (FROM K) N/A N/A N/A 0.9695
CP, BTU/LB-F N/A N/A N/A 0.544
DENSITY, LB/M FT3 N/A N/A N/A 436.106
THERMAL COND, BTU/HR-FT-F N/A N/A N/A 0.01532
VISCOSITY, CP N/A N/A N/A 0.00920
------------ DRY LIQUID ------------
RATE, LB-MOL/HR 1004.161 636.901 685.516 N/A
M LB/HR 175.754 158.519 224.719 N/A
BBL/HR 723.572 644.938 916.993 N/A
GAL/MIN 506.499 451.455 641.893 N/A
STD LIQ RATE, BBL/HR 611.052 522.755 710.856 N/A
SPECIFIC GRAVITY (H2O=1.0) 0.8214 0.8660 0.9028 N/A
Z (FROM K) 0.0000 0.0000 0.0000 N/A
CP, BTU/LB-F 0.614 0.657 0.707 N/A
DENSITY, LB/BBL 242.898 245.790 245.061 N/A
THERMAL COND, BTU/HR-FT-F 0.05020 0.04355 0.03832 N/A
VISCOSITY, CP 0.27786 0.27714 0.27494 N/A
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PRODUCT DISTILLATION CURVES
STREAM ID 1 1A 9 10
NAME CRUDE FEED NAPHTHA KEROSENE

TBP AT 760 MM HG
0 LV PERCENT -5.793 -5.793 -82.191 242.064
5 147.566 147.566 42.967 340.412
10 208.225 208.225 93.091 360.880
30 459.057 459.057 171.290 401.007
50 689.818 689.818 217.790 434.658
70 864.505 864.505 269.335 471.151
90 1240.591 1240.591 331.246 520.628
95 1414.367 1414.367 352.148 542.111
100 1547.776 1547.776 375.169 583.764
TBP AT 10 MM HG
0 LV PERCENT -136.159 -136.159 -192.547 52.528
5 -20.472 -20.472 -99.743 129.936
10 26.235 26.235 -61.953 146.234
30 225.327 225.327 -2.270 178.376
50 417.429 417.429 33.649 205.527
70 568.937 568.937 73.844 235.176
90 914.411 914.411 122.659 275.718
95 1083.646 1083.646 139.273 293.447
100 1218.001 1218.001 157.650 328.038
ASTM D86
0 LV PERCENT 29.766 29.766 -52.478 296.427
5 181.851 181.851 77.957 372.104
10 242.008 242.008 130.195 387.854
30 465.239 465.239 185.348 409.109
50 679.107 679.107 217.630 430.172
70 834.151 834.151 262.078 456.923
90 1192.319 1192.319 315.191 498.497
95 1334.165 1334.165 340.009 520.046
100 1443.061 1443.061 367.342 561.824
ASTM D1160
0 LV PERCENT -22.476 -22.476 -41.402 297.840
5 140.822 140.822 67.857 361.443
10 205.329 205.329 111.705 374.735
30 457.986 457.986 179.475 407.476
50 689.818 689.818 217.790 434.658
70 864.505 864.505 269.335 471.151
90 1240.591 1240.591 331.246 520.628
95 1414.367 1414.367 352.148 542.111
100 1547.776 1547.776 375.169 583.764
ASTM D86 WITH CRACKING
0 LV PERCENT 29.766 29.766 -52.478 296.427
5 181.851 181.851 77.957 372.104
10 242.008 242.008 130.195 387.854
30 465.239 465.239 185.348 409.109
50 648.793 648.793 217.630 430.172
70 746.392 746.392 262.078 456.923
90 866.448 866.448 315.191 492.943
95 895.100 895.100 340.009 513.127
100 918.582 918.582 367.342 551.333
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VACUUM COLUMN
You have been asked to prepare a base case simulation model for an existing
vacuum column by matching measured test run data. This model will then be used
for further studies of the column performance as part of a revamp excercise.
Process Data The flow sheet for the column is given in Figure R4.1. The column is in two sections,
each with a total draw and a pumparound returning cooled liquid to the top of the
section. The slop wax is part of the heavy gas oil draw which is mixed with the feed
before it enters the furnace.
Table R4.1 shows the analysis of the topped crude feed to the unit. The steam feed
is at 355 C and 8500 mm Hg.
The product balance for the test run is shown in Table R4.2. Measured temperatures
and pressures for the column are listed in Table R4.3.
Figure R4.1
Vacuum Column Flow Sheet
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PRO/II APPLICATION BRIEFS VACUUM COLUMN R4-1
February 1991
Table R4.1
FEED ASSAY (ASTM D1160 @ 2mm Hg)
LV% Temp (C) LV% Temp (C)
0
93
40
252
5
145
50
295
10
190
60
326
20
206
70
375
30
236
75
409
Specific Gravity
0.9833
Temperature (C)
330
Pressure (mm Hg)
8000
Table R4.2
PRODUCT BALANCE
Stream m3/hr kg/hr
Topped crude (dry) 99.37 97,509
Dissolved Water - 318
Bottom Steam - 908
Overhead Gas - 1,246
Light Gas Oil (LVGO) 7.10 6,430
Heavy Gas Oil(HVGO) 41.34 38,997
Vacuum Resid 50.82 52,062
Table R4.3
COLUMN DATA
TRAY Pressure (mm Hg) Temperature (C)
Top 74 66
LVGO draw -
136
HVGO draw -
282
Flash zone 98 371
Bottom 115 366
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R4-2 VACUUM COLUMN PRO/II APPLICATION BRIEFS
February 1991
The pumparound flow rates are uncertain, but the measured return temperatures are
49 C at the top and 166 C for the lower pumparound. The slop wax rate is 3.50 m
3
/hr.
Methods
and Data
The BK10 thermodynamic system is recommended for K-value, enthalpy and density
calculations for refinery vacuum units. The PETRO option is selected to calculate
thermal conductivity and liquid viscosity. The API method generally gives the best
prediction of liquid viscosity for heavy hydrocarbon systems.
The ASTM D1160 distillation data at 2 mm Hg are used directly by specifying the
measurement pressure on the D1160 statement. The data are only available up to
the 75% point on the curve. Measured data rarely go beyond this and the program
extrapolates to the 100% point. The extrapolated portion of the curve makes up most
of the bottom product, and any inaccuracies will mainly affect the bottoms tempera-
ture.
This example uses the minimum assay data which are the distillation curve and
average gravity. Results may be improved by entering gravity and/or molecular
weight curves if available.
Simulation
Model
The column is modeled as a refinery column with 7 theoretical trays as shown in
Figure R4.2. Each packed section is assumed to be 2 theoretical trays. The number
of trays may also be obtained from a previous shortcut simulation. Tray 6 represents
the furnace and flash zone where the slop wax and fresh feed are mixed and heated.
The furnace is included in the column model to calculate the duty and ensure that a
heat balance is obtained. The slop wax stream is the liquid runback from the tray
above the flash zone.
The temperature of the feed from the furnace will not be the same as the flash zone
temperature. It is calculated in a separate flash drum by adding the furnace duty to
the feed and the slop wax streams.
Thermal cracking usually occurs in the furnace, producing some light gases. The
only effect of these is on the temperature at the top of the column, and it can be
ignored unless this temperature is important. For this simulation, we will match the
top temperature by adding a small quantity of ethane and propane to the feed to
represent the cracked gases. A shortcut model may be used to adjust the amount
of light gases to match the conditions at the top of the column.
Trays 2 and 5 are total draws with all the liquid (except for the slop wax from tray 5)
going to the pumparounds and products. These are modeled by specifying the liquid
from tray 2 at a very small value and that from tray 5 as the actual slop wax rate into
the flash zone.
When modeling an existing column, the most reliable measured data should be used
for the specifications. Less reliable data can be compared with the calculated results.
The reliability of the measured pumparound rates is suspect, but the return tempera-
tures are thought to be reasonably accurate. Therefore, the pumparound return
temperatures are entered and the corresponding rates calculated.
The other specifications in this simulation are the volumetric rates of the HVGO and
RESID and the top tray temperature. The variables are the three duties and the side
draw molar rates.
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Input Data Metric units are specified for this simulation with mmHg for the pressure. The default
component flow rate output is suppressed, as the oil does not have defined compo-
nents. The TBP option is used to request printout of the distillation curves for all the
streams.
The damping parameter value DAMP=0.6 is recommended for vacuum columns, as
it assists the convergence.
The feed temperature calculation is separate from the column model and is calculated
after the column has converged. In order to feed the slop wax to the flash calculation,
the TFLOW statement is used to create the stream SLOP, which is identical to the
liquid from tray 5. The flash unit simply adds the flash zone duty to the feed and slop
wax streams, and the resultant temperature is the furnace outlet temperature.
Figure R4.2
Simulation Model for Vacuum Unit
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Input Data File:
TITLE PROBLEM=R4,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DIMEN METRIC,PRES=MMHG
COMPONENT DATA
LIBID 1,H2O/2,C2/3,C3
THERMODYNAMIC DATA
METHODS SYSTEM=BK10,COND=PETR,VISC(V)=PETR,VISC(L)=API
STREAM DATA
PROP STREAM=R1A,TEMP=330,PRES=8000,RATE(V)=99.37,ASSAY=LV
D1160 STREAM=R1A,PRES(MMHG)=2,&
DATA=0,93/5,145/10,190/20,206/30,236/40,252/&
50,295/60,326/70,375/75,409
SPGR STREAM=R1A,AVG=0.9833
PROP
STREAM=R1B,TEMP=330,PRES=8000,RATE(V)=3,COMP=2,75/3,25
PROP STREAM=R1C,TEMP=330,PRES=8000,RATE(W)=318,COMP=1,100
PROP STREAM=W1,TEMP=355,PRES=8500,RATE(W)=908,COMP=1,100
NAME R1A,TOPPED CRUDE/R1B,LIGHT ENDS/R1C,DIS. STM/&
R1,VAC FEED/R2,FURNACE PROD/V1,OVERHEAD/V2,LVGO/&
V3,HVGO/V4,VAC RESID
UNIT OPERATIONS
MIXER UID=M1,NAME=FEED MIX
FEED R1A,R1B,R1C
PROD M=R1
COLUMN UID=C1,NAME=VAC COLUMN
FEED R1,6/W1,7
PROD OVHD=V1,BTMS=V4,80,LDRAW=V2,2,25/V3,4,120
TFLOW NET(L)=SLOP,5
HEAT 1,6/2,1/3,3
PRESS 1,74/6,98/7,115
ESTI MODEL=REFINERY
SPEC STREAM=V3,RATE(V),DRY,VALUE=41.34
SPEC STREAM=V4,RATE(V),DRY,VALUE=50.88
SPEC COLUMN=C1,TRAY=5,PHASE=L,RATE(V),VALUE=3.5
SPEC COLUMN=C1,TRAY=2,PHASE=L,RATE,VALUE=0.1
SPEC COLUMN=C1,TRAY=1,TEMP,VALUE=67
VARY HEAT=1,2,3,DRAW=V2,V3
FLASH UID=FL1,NAME=FEED TEMP
FEED R1,SLOP
PROD M=R2
DEFINE PRES AS COLUMN=C1,TRAY=6,PRES
DEFINE DUTY AS COLUMN=C1,DUTY(1)
END
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Results The calculated results should be compared with all the available measured data. If
the match is not considered good enough, then it may be necessary to try different
specifications or alter the number of theoretical trays. Only when the base case is
satisfactory should it be used to investigate changes in the column operation.
In this example, the calculated tray temperatures show good agreement with the
measured values shown in Table R4.3.
Output The result of the feed temperature calculation is shown on the flash output below.
The temperature of the feed stream is 371.3 C compared with the flash zone
temperature of 368.7 C shown on the column summary.
The column summary output shows the pumparound duties and rates as well as all
the tray flowrates, temperatures and pressures. A range of other tray properties is
available.
The extract from the stream summary output shows the properties for the product
streams. Part of the distillation curve output is also shown.
FEED TEMPERATURE FLASH

FLASH ID FL1
NAME FEED TEMP

FEEDS R1
SLOP

PRODUCTS MIXED R2

PRESSURE, MM HG 98.000
PRESSURE DROP, MM HG -4.800
DUTY, M*KCAL/HR 4.83436
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VACUUM COLUMN SUMMARY
UNIT 2, C1, VAC COLUMN


IN/OUT METHOD 15

COLUMN SUMMARY

DEG C MM HG KG-MOL/HR M*KCAL/HR
------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- ------------------------
1 67.0 74.00 87.4 103.3V -0.9011
2 134.6 78.80 0.1 107.7 25.2L
3 223.2 83.60 306.0 128.6 -5.2885
4 277.2 88.40 27.7 217.4 107.6L
5 345.2 93.20 7.4 263.8
6 368.8 98.00 90.8 243.5 264.8M 4.8344
7 363.1 115.00 62.1 50.4V 79.1L


TRAY TRAY FRACTION KG-MOL/HR M*KCAL/HR
------------- ------------ ------------ -------- -------- ---------------- ------------------------ ------------------------
FEED R1 MIXED 6 0.5640 264.79 21.9380
FEED W1 VAPOR 7 0.0000 50.40 0.6863
PRODUCT V1 VAPOR 1 103.30 0.9127
PRODUCT WATER 1 0.0000
PRODUCT V2 LIQUID 2 25.19 0.7001

PSEUDO PRODUCT STREAMS

------------- ------------ ------------ -------- -------- ---------------- ------------------------ ------------------------
NET SLOP LIQUID 5 7.37 0.7900


PUMPAROUNDS

TRAY TEMP, DEG C LIQUID FRACTION ------------------------ RATES -------------------------
FROM TO FROM TO FROM TO KG-MOL/HR K*KG/HR STD M3/HR
-------- -------- ------------- ------------- ------------- ------------- -------------------- -------------------- --------------------
2 1 134.6 49.0 1.0000 1.0000 82.93 20.882 23.47
4 3 277.2 166.0 1.0000 1.0000 217.09 78.311 83.37
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STREAM ID V1 V2 V3 V4
NAME OVERHEAD LVGO HVGO VAC RESID
PHASE WET VAPOR WET LIQUID WET LIQUID WET LIQUID

--------- TOTAL STREAM ---------
RATE, KG-MOL/HR 103.301 25.188 107.643 79.062
K*KG/HR 2.428 6.342 38.830 52.424
TEMPERATURE, C 67.004 134.575 277.220 363.091
PRESSURE, MM HG 74.000 78.800 88.400 115.000
ENTHALPY, M*KCAL/HR 0.913 0.700 7.409 12.247
KCAL/KG 375.972 110.387 190.810 233.615

--------- TOTAL VAPOR ------------
RATE, KG-MOL/HR 103.301 N/A N/A N/A
K*KG/HR 2.428 N/A N/A N/A
K*M3/HR 29.584 N/A N/A N/A
STD VAP RATE(1), K*M3/HR 2.315 N/A N/A N/A
MOLECULAR WEIGHT 23.501 N/A N/A N/A
ENTHALPY, KCAL/KG 375.972 N/A N/A N/A
CP, KCAL/KG-C 0.454 N/A N/A N/A
DENSITY, KG/K*M3 82.059 N/A N/A N/A
THERMAL COND, KCAL/HR-M-C 0.02029 N/A N/A N/A
VISCOSITY, CP 0.01060 N/A N/A N/A

--------- TOTAL LIQUID ---------
RATE, KG-MOL/HR N/A 25.188 107.643 79.062
K*KG/HR N/A 6.342 38.830 52.424
M3/HR N/A 7.772 49.500 62.059
GAL/MIN N/A 34.219 217.940 273.237
STD LIQ RATE, M3/HR N/A 7.129 41.340 50.881
MOLECULAR WEIGHT N/A 251.803 360.728 663.079
ENTHALPY, KCAL/KG N/A 110.387 190.810 233.615
CP, KCAL/KG-C N/A 0.545 0.659 0.692
DENSITY, KG/M3 N/A 816.075 784.446 844.751
TH COND, KCAL/HR-M-C N/A 0.08132 0.06446 0.05624
VISCOSITY, CP N/A 0.92233 0.55875 1.31104

(1) STD VAPOR VOLUME IS 22.414 M3/KG-MOLE (0 C AND 1 ATM)
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STREAM ID V1 V2 V3 V4
NAME OVERHEAD LVGO HVGO VAC RESID

------------ DRY STREAM ------------
RATE, KG-MOL/HR 35.331 25.173 107.620 79.014
K*KG/HR 1.203 6.342 38.829 52.424
STD LIQ RATE, M3/HR 3.021 7.129 41.340 50.880
PRES (KAYS RULE) 0.0021 0.0060 0.0094 0.0176
ACENTRIC FACTOR 0.1134 0.6352 0.8057 1.3260
WATSON K (UOPK) 17.773 11.487 11.487 11.487
STD LIQ DENSITY, KG/M3 398.260 889.616 939.275 1030.333
API GRAVITY 223.445 27.400 19.000 5.699

------------ DRY VAPOR -------------
RATE, KG-MOL/HR 35.331 N/A N/A N/A
K*KG/HR 1.203 N/A N/A N/A
K*M3/HR 10.128 N/A N/A N/A
STD VAP RATE(1), K*M3/HR 0.792 N/A N/A N/A
SPECIFIC GRAVITY (AIR=1.0) 1.176 N/A N/A N/A
Z (FROM K) 1.0000 N/A N/A N/A
CP, KCAL/KG-C 0.457 N/A N/A N/A
DENSITY, KG/K*M3 118.792 N/A N/A N/A
THERMAL COND, KCAL/HR-M-C 0.02193 N/A N/A N/A

------------ DRY LIQUID ------------
RATE, KG-MOL/HR N/A 25.173 107.620 79.014
K*KG/HR N/A 6.342 38.829 52.424
M3/HR N/A 7.772 49.499 62.057
GAL/MIN N/A 34.217 217.937 273.229
STD LIQ RATE, M3/HR N/A 7.129 41.340 50.880
SPECIFIC GRAVITY (H2O=1.0) N/A 0.8905 0.9402 1.0313
Z (FROM K) N/A 0.0000 0.0000 0.0000
CP, KCAL/KG-C N/A 0.545 0.659 0.692
DENSITY, KG/M3 N/A 816.071 784.447 844.761
THERMAL COND, KCAL/HR-M-C N/A 0.08132 0.06446 0.05624
VISCOSITY, CP N/A 0.92298 0.55891 1.31248

(1) STD VAPOR VOLUME IS 22.414 M3/KG-MOLE (0 C AND 1 ATM)
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STREAM ID V2 V3 V4
NAME LVGO HVGO VAC_RESID

TBP AT 760 MM HG
0 LV PERCENT 262.930 285.041 399.051
5 266.107 348.311 466.913
10 270.492 371.877 501.428
30 290.453 396.387 558.722
50 312.817 424.876 628.653
70 343.434 452.304 706.839
90 390.743 503.916 904.684
95 402.607 526.842 925.126
100 443.717 559.285 925.126
TBP AT 10 MM HG
0 LV PERCENT 128.385 146.610 242.927
5 130.995 199.567 302.196
10 134.602 219.606 332.918
30 151.093 240.630 384.802
50 169.709 265.307 449.673
70 195.442 289.310 524.293
90 235.772 335.148 723.662
95 245.996 355.794 745.177
100 281.769 385.317 745.177
ASTM D86
0 LV PERCENT 280.257 327.881 450.390
5 280.257 361.670 478.385
10 280.257 374.256 492.623
30 291.955 393.470 547.795
50 308.219 417.311 614.944
70 331.654 435.893 678.328
90 374.364 483.454 868.511
95 383.341 499.551 868.332
100 414.446 522.331 868.332
ASTM D1160
0 LV PERCENT 274.918 304.318 399.624
5 276.337 359.945 471.525
10 278.296 380.704 508.052
30 294.489 400.952 561.459
50 312.817 424.876 628.653
70 343.434 452.304 706.839
90 390.743 503.916 904.684
95 402.607 526.842 925.126
100 443.717 559.285 925.126
0 LV PERCENT 275.722 317.579 399.288
5 275.722 344.286 412.357
10 275.722 353.442 418.332
30 286.367 366.560 438.203
50 300.803 381.343 456.795
70 320.702 391.777 470.544
90 353.518 414.521 510.175
95 359.773 421.128 510.140
100 379.652 429.650 510.140
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FCC MAIN FRACTIONATOR
A fluidized catalytic cracker (FCC) operation is being expanded and modified to
increase gasoline production and eliminate production of heavy cycle oil. You have
to adapt an existing main fractionator column for this new service. The flow sheet
for the column is shown in Figure R5.1.
Process Data The new operation product slate for the 15,000 barrels/day design basis charge is
shown in Tables R5.1 and R5.2. The column feed is the FCC reactor effluent which
is synthesized by blending these product streams together with the 3000 lb/hr of
reactor stripping steam.
Figure R5.1
Fractionator Column
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Table R5.1 - GAS PLANT PRODUCTS (lb/hr)
Component Off Gas C3s C4s Gasoline
H2 120
- - -
H2S 246
- - -
CO2 317
- - -
N2 545
- - -
C1 3935
- - -
C2= 4218
- - -
C2 3290
- - -
C3= 2879
6335
29
-
C3 1047
2557
208
-
IC4= 161
-
2358 324
C4= 463
-
6658 560
IC4 586
-
7191 34
NC4 168
-
2521 451
C5=
- - -
1793
IC5 260
-
194 8755
NC5 104
-
25 1668
Total 18,336
8892
19,184 13,585
Table R5.2 - PRODUCT ASSAYS (F)
LV% C6 plus (D86) Gasoline (D86) Light Cycle (TBP)
0 175 370 483
5 177 470 705
10 179 512 777
30 215 567 879
50 266 601 976
70 322 637 1080
90 441 694 1250
95 492 723 1391
100 537 745 1439
Barrels/hour 258.13 62.67 83.54
API Gravity 47.0 18.4 8.1
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February 1991
The fractionation has to meet the specifications shown in Tables R5.3 and R5.4.
Table R5.3
FRACTIONATION SPECIFICATIONS
Unit/Stream Property Value
Gasoline D86 End Point 450 F
Light Cycle Oil D86 End Point 740 F
Condenser Temperature 120 F
Pressure drop 5 psi
Main Column Top pressure 20 psig
Pressure Drop 6 psi
Bottoms temperature 680 F
Steam feed 500 lb/hr
Sidestripper Steam feed 500 lb/hr
Steam (Saturated) Pressure 150 psig
Table R5.4
PUMPAROUND INFORMATION
Pumparound Duty (MMBtu/hr) Rate (bbl/day) Return Temp (F)
Top
20 - 225
Middle
10 - 450
Bottom
- 12,000 -
The main fractionator is sized for single pass valve trays on 24-inch spacings at
75% of flood. The actual column contains 24 trays, not counting the baffles in the
quench zone.
The sidestripper has eight actual trays and is represented by two trays for the
simulation.
Methods
and Data
The BK10 thermodynamic system is used for the K-values, enthalpies and vapor
densities. This system works well for main fractionators. The API correlation is used
for the liquid viscosity predictions.
In this simulation, we have a complete distillation profile for the slurry oil. An
accurate characterization of the slurry is important because its bubble point (column
bottom temperature) is normally used as a control parameter. In operating units,
slurry data are often incomplete, and a shortcut model of the bottom section of the
column may be used to develop the slurry oil data.
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Simulation
Model
The details of the simulation model are shown in Figure 5.2. Typical tray efficiencies
are used to obtain the number of theoretical trays from the actual trays. The number
of trays used does not have a critical effect on the simulation results. The quench
zone is represented by a single tray with a pumparound through a cooler.
A MIXED condenser is used, and the desired condensing temperature is set as a
performance specification. The condenser duty is varied to meet this specification.
The gasoline draw rate is varied to meet the D86 end point specification. Similarly,
in the sidestripper, the cycle oil rate is varied to meet the specified end point.
The quench zone cooler duty is calculated to meet the slurry oil rate specification.
The return temperature for this pumparound is computed from the desired circula-
tion rate. The pumparound side coolers have cooling duties set with the HEAT
statement. The return temperatures are given and the corresponding circulation
rates calculated.
Figure R5.2
Simulation Model of Fractionator Column
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It is good practice for this type of column to fix the duty of the top side cooler and
calculate the condenser duty. For columns with no gasoline reflux, the top side
cooler must be on the top tray and the duty calculated to meet a performance
specification. The overhead condenser is then simulated as a separate flash drum.
The bottoms temperature is used as a control variable. Its value is determined by
small amounts of dissolved light material in the slurry oil. An increased column
reflux improves the separation and produces a heavier slurry with a higher bubble
point and, hence, a higher column bottom temperature. Conversely, a lower reflux
reduces the bottom temperature.
The column is sized for single pass valve trays at 75 percent of flood. This option
automatically rates the column with all trays at the largest calculated standard size.
Input Data The simulation is carried out in English units with pressure changed to psig and
liquid volumes in barrels. The stream summary is requested but the component flow
rates are suppressed. The distillation curves are produced for all streams which
contain hydrocarbons. All the products from the process are defined in the Stream
Data Section and then blended in the flash to obtain the column feed.
The DAMP=0.8 option with the PARAMETER statement is recommended for FCC
fractionators to improve the convergence of the calculations. By default, the
Inside-Out (IO) solution algorithm is used.
The sidestripper is entered as a separate unit operation, but it is combined with the
main column and solved simultaneously with it.
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Input Data File:
TITLE PROBLEM=R5,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=JUNE 1988
DIMEN PRES=PSIG,LIQV=BBL
COMPONENT DATA
LIBID 1,H2O/2,H2/3,H2S/4,CO2/5,N2/6,C1/7,ETHENE/8,C2/&
9,PROPENE/10,C3/11,IBUTENE/12,BUT1/13,IC4/&
14,NC4/15,PNT1/16,IC5/17,NC5
THERMODYNAMIC DATA
METHODS SYSTEM=BK10,COND=PETR,SURF=PETR,VISC(V)=PETR,&
VISC(L)=API
STREAM DATA
PROP STREAM=1A,TEMP=980,PRES=35,PHASE=V,&
COMP(W)=1,3000/2,120/3,246/4,317/5,545/6,3935/7,4218/&
8,3290/9,2876/10,1047/11,161/12,463/13,586/&
14,168/16,260/17,104
PROP STREAM=1B,TEMP=980,PRES=35,PHASE=V,&
COMP(W)=9,6364/10,2765/11,2358/12,6658/&
13,7191/14,2521/16,194/17,25
PROP STREAM=1C,TEMP=980,PRES=35,&
COMP(W)=11,324./12,560/13,34/14,451/&
15,1793/16,8755/17,1668
PROP STREAM=1D,TEMP=980,PRES=35,PHASE=V,RATE(V)=258.13,ASSAY=LV
D86 STREAM=1D,PRES(MMHG)=760,&
DATA=0,175/5,177/10,179/30,215/50,266/&
70,322/90,441/95,492/100,537
API STREAM=1D,AVG=47
PROP STREAM=1E,TEMP=980,PRES=35,PHASE=V,RATE(V)=62.67,ASSAY=LV
D86 STREAM=1E,PRES(MMHG)=760,&
DATA=0,370/5,470/10,512/30,567/50,601/&
70,637/90,694/95,723/100,745
API STREAM=1E,AVG=18.4
PROP STREAM=1F,TEMP=980,PRES=35,PHASE=V,RATE(V)=83.54,ASSAY=LV
TBP STREAM=1F,PRES(MMHG)=760,&
DATA=0,483/5,705/10,777/30,879/50,976/&
70,1080/90,1250/95,1391/100,1439
API STREAM=1F,AVG=8.1
PROP STREAM=S1,PRES=150,PHASE=V,RATE(W)=500,COMP=1,100
PROP STREAM=S2,PRES=150,PHASE=V,RATE(W)=500,COMP=1,100
NAME S1,MF STEAM/S2,STRP STEAM/1,REACTOR EFF/2,OVERHEAD GAS/&
3,GASOLINE/4,OVHD WATER/6,LCO DRAW/7,LCO/8,SLURRY OIL
UNIT OPERATIONS
FLASH UID=M1,NAME=FEED MIX
FEED 1A,1B,1C,1D,1E,1F
PROD V=1
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Results The column can meet the new service provided that the pumparound cooler duties
shown on the column summary are available.
The largest tray is the draw tray for the top pumparound at 126 inches diameter. If
the existing column is less than this, then the throughput must be reduced to avoid
flooding in the top section.
Output The column summaries for the main fractionator and light cycle oil stripper are
shown. The tray sizing results for the main fractionator show the required diameter
of each tray. The column is rated with the largest required standard tray size, and
the output shows the flooding factor for each tray.
Selections of the stream summary output and the distillation curve printout are
shown.

COLUMN UID=T1,NAME=MAIN FRAC
FEED 1,14/S1,14/5,6
COND TYPE=MIXE,PRESS=15
PROD OVHD=2,LDRAW=3,1,615/6,8,134,WATER=4,1,110,BTMS=8,69
HEAT 1,1/2,14,-30/3,10,-10/4,3,-20
PA FROM=14,TO=14,PHASE=L,RATE(V)=500
PRINT PROP=BRIE
ESTI MODEL=REFINE,REFLUX=500
SPEC COLUMN=T1,TRAY=1,PHASE=L,TEMP,VALUE=120
SPEC STREAM=8,RATE(V),VALUE=84.1
SPEC STREAM=3,D86(EP),VALUE=450
VARY HEAT=1,2,DRAW=3
TSIZ PASS=1,SPACING=24,FF=75
SIDESTRIPPER UID=T2,NAME=LCO STRP
PARAM TRAY=2
FEED 6,1/S2,2
PSPEC TOP=23
SPEC STREAM=7,D86(EP),VALUE=740
VARY FEED=6
END
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FCC FRACTIONATOR COLUMN SUMMARY
UNIT 2, T1, MAIN FRAC


IN/OUT METHOD 7

COLUMN SUMMARY

------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- ------------------------
1 120.0 15.00 189.9 1525.2V -25.9261
617.8L
132.6W
2 296.8 20.00 125.3 2465.6
3 324.8 20.50 2067.6 2401.0 -20.0000
4 374.2 21.00 744.6 2881.3
5 416.1 21.50 713.9 3020.3
6 437.0 22.00 637.1 2989.5 40.3V
7 455.3 22.50 498.2 2872.5
8 482.9 23.00 137.1 2733.6 142.8L
9 532.1 23.50 62.7 2515.3
10 553.9 24.00 529.9 2440.8 -10.0000
11 595.7 24.50 148.8 2530.0
12 626.0 25.00 114.4 2527.0
13 639.6 25.50 48.8 2492.6
14 658.8 26.00 2427.0 27.8V 68.8L -42.5029
2419.2M

SIDESTRIPPER T2

1/ 15 479.5 23.00 137.7 142.8L 40.3V
2/ 16 470.5 23.00 35.1 27.8V 130.3L


------------- ------------ ------------ -------- -------- ---------------- ------------------------ ------------------------
FEED 5 VAPOR 6 0.0000 40.25 1.4586
FEED S1 VAPOR 14 0.0000 27.75 0.6005
FEED 1 MIXED 14 0.0006 2419.23 139.0400
PRODUCT 2 VAPOR 1 1525.18 13.7228
PRODUCT 4 WATER 1 132.63 0.2101
PRODUCT 8 LIQUID 14 68.80 11.9141
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COLUMN SUMMARY (Cont)
UNIT 2, T1, MAIN FRAC (CONT)

SIDESTRIPPER T2

------------- ------------ ------------ -------- -------- ---------------- ------------------------ ------------------------
FEED 6 LIQUID 15 1.0000 142.80 9.4332
FEED S2 VAPOR 16 0.0000 27.75 0.6005
PRODUCT 5 VAPOR 15 40.25 1.4586
PRODUCT 7 LIQUID 16 130.30 8.5750


PUMPAROUNDS

-------- -------- ------------- ------------- ------------- ------------- -------------------- -------------------- --------------------
14 14 658.8 239.7 1.0000 1.0000 409.02 177.333 500.00
11 10 595.7 450.0 1.0000 1.0000 378.01 109.805 325.35
4 3 374.2 225.0 1.0000 1.0000 1461.98 234.725 793.90

SPECIFICATIONS

----------------- -------- ------------ ------------------------- -------------------- --------------------
STRM 8 14 VOL RATE 8.410E+01 8.410E+01
STRM 3 1 D86 EP 4.500E+02 4.500E+02
STRM 7 16 D86 EP 7.400E+02 7.400E+02
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TRAY SIZING OUTPUT


NUMBERS PASSES IN FACTOR TYPE IN
------------- ----------------- ------------ ------------------------ ------------ --------- ------------------------
1 1 - 14 1 24.00 1.00 VALVE 15.00

TRAY SIZING RESULTS

CFS HOTGPM CFS DIA, IN FF DIA, IN FF DIA, IN FF
-------- --------- ------------ --------- ------------- -------- ------------- -------- ------------- -------- ----
2 159.5 49.7 11.98 83.7 75.0 78. 87.1 84. 74.5 1
3 200.6 877.4 16.20 118.1 75.0 114. 80.4 120. 72.8 1
4 217.8 994.5 18.42 127.2 75.0 126. 76.4 132. 69.9 1
5 217.7 345.3 18.58 110.3 75.0 108. 78.2 114. 70.2 1
6 213.6 321.5 18.06 108.3 75.0 108. 75.4 114. 67.7 1
7 203.7 262.3 16.69 103.0 75.0 102. 76.5 108. 68.2 1
8 194.7 159.8 14.70 94.9 75.0 90. 83.6 96. 73.2 1
9 190.6 41.8 13.75 89.5 75.0 84. 85.7 90. 74.1 1
10 203.1 381.8 15.07 101.5 75.0 96. 83.9 102. 74.3 1
11 206.0 397.7 15.45 103.0 75.0 102. 76.5 108. 68.3 1
12 203.2 92.7 15.08 94.7 75.0 90. 83.4 96. 72.9 1
13 198.8 42.3 14.10 90.6 75.0 90. 76.0 96. 66.4 1

TRAY SIZING DOWNCOMER WIDTH CALCULATION

NEXT LARGER ------------- DOWNCOMER WIDTHS ----------------
TRAY DIAMETER SIDE CENTER OFF-CENTER
IN IN IN IN
-------- --------------------- ------------- ------------- --------------------
2 84. 5.717 N/A N/A
3 120. 14.646 N/A N/A
4 132. 15.522 N/A N/A
5 114. 7.988 N/A N/A
6 114. 7.599 N/A N/A
7 108. 7.106 N/A N/A
8 96. 6.559 N/A N/A
9 90. 6.083 N/A N/A
10 102. 8.731 N/A N/A
11 108. 8.795 N/A N/A
12 96. 6.473 N/A N/A
13 96. 6.046 N/A N/A
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TRAY RATING OUTPUT


VALVE DIAMETER 1.875 IN

NUMBER IN OR CAPS IN IN IN
------------- ------------ ---------------- ---- ----------------- ------------ ------------- --------------------
1 4 132. 1 989 15.522 N/A N/A

TRAY RATING AT SELECTED DESIGN TRAY

PRES DOWNCOMER
TRAY VAPOR LIQUID VLOAD DIAM FF NP DROP GPM/LWI BACKUP, IN
-------- --------- ------------ --------- -------- -------- ---- ------------ ------------- --------------------
2 159.5 49.7 11.98 132. 33.0 1 0.057 0.6 4.48
3 200.6 877.4 16.20 132. 61.5 1 0.116 10.3 11.53
4 217.8 994.5 18.42 132. 69.9 1 0.131 11.7 13.28
5 217.7 345.3 18.58 132. 56.8 1 0.104 4.1 7.63
6 213.6 321.5 18.06 132. 55.0 1 0.100 3.8 7.34
7 203.7 262.3 16.69 132. 50.0 1 0.090 3.1 6.63
8 194.7 159.8 14.70 132. 42.5 1 0.076 1.9 5.56
9 190.6 41.8 13.75 132. 37.5 1 0.064 0.5 4.56
10 203.1 381.8 15.07 132. 48.1 1 0.095 4.5 7.09
11 206.0 397.7 15.45 132. 49.5 1 0.097 4.7 7.28
12 203.2 92.7 15.08 132. 42.2 1 0.075 1.1 5.19
13 198.8 42.3 14.10 132. 38.5 1 0.066 0.5 4.63
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STREAM ID 5 6 7 8
NAME LCO DRAW LCO SLURRY OIL

--------- TOTAL STREAM ---------
RATE, LB-MOL/HR 40.254 142.800 130.301 68.797
M LB/HR 2.478 30.432 28.454 29.827
TEMPERATURE, F 479.538 482.851 470.460 658.768
PRESSURE, PSIG 23.000 23.000 23.000 26.000
BTU/LB 588.578 309.974 301.364 399.434

--------- TOTAL VAPOR ------------
RATE, LB-MOL/HR 40.254 N/A N/A N/A
M LB/HR 2.478 N/A N/A N/A
M FT3/HR 10.723 N/A N/A N/A
STD VAP RATE(1), M FT3/HR 15.275 N/A N/A N/A
ENTHALPY, BTU/LB 588.578 N/A N/A N/A
CP, BTU/LB-F 0.538 N/A N/A N/A
DENSITY, LB/M FT3 231.124 N/A N/A N/A
THERMAL COND, BTU/HR-FT-F 0.02069 N/A N/A N/A

--------- TOTAL LIQUID ---------
RATE, LB-MOL/HR N/A 142.800 130.301 68.797
M LB/HR N/A 30.432 28.454 29.827
BBL/HR N/A 116.460 106.558 104.503
GAL/MIN N/A 81.522 74.590 73.152
STD LIQ RATE, BBL/HR N/A 95.310 88.488 84.100
ENTHALPY, BTU/LB N/A 309.974 301.364 399.434
CP, BTU/LB-F N/A 0.631 0.621 0.675
DENSITY, LB/BBL N/A 261.312 267.030 285.424
SURFACE TENSION, DYNE/CM N/A 14.7613 16.1731 16.2390
TH COND, BTU/HR-FT-F N/A 0.04572 0.04684 0.03919
VISCOSITY, CP N/A 0.27839 0.31154 0.58231

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STREAM ID 5 6 7 8
NAME LCO DRAW LCO SLURRY OIL

------------ DRY STREAM ------------
RATE, LB-MOL/HR 13.966 142.640 128.675 68.720
M LB/HR 2.005 30.429 28.425 29.826
PRES (KAYS RULE) 0.0912 0.1208 0.1253 0.2229
ACENTRIC FACTOR 0.4203 0.5700 0.5863 0.9861
WATSON K (UOPK) 11.379 11.040 11.016 11.123
API GRAVITY 38.993 23.679 22.599 8.202

------------ DRY VAPOR -------------
RATE, LB-MOL/HR 13.966 N/A N/A N/A
M LB/HR 2.005 N/A N/A N/A
M FT3/HR 3.734 N/A N/A N/A
STD VAP RATE(1), M FT3/HR 5.300 N/A N/A N/A
SPECIFIC GRAVITY (AIR=1.0) 4.956 N/A N/A N/A
Z (FROM K) 1.0000 N/A N/A N/A
CP, BTU/LB-F 0.553 N/A N/A N/A
DENSITY, LB/M FT3 536.849 N/A N/A N/A
THERMAL COND, BTU/HR-FT-F 0.01950 N/A N/A N/A

------------ DRY LIQUID ------------
RATE, LB-MOL/HR N/A 142.640 128.675 68.720
M LB/HR N/A 30.429 28.425 29.826
BBL/HR N/A 116.450 106.454 104.496
GAL/MIN N/A 81.514 74.518 73.147
STD LIQ RATE, BBL/HR N/A 95.302 88.404 84.096
SPECIFIC GRAVITY (H2O=1.0) N/A 0.9119 0.9182 1.0129
Z (FROM K) N/A 0.0000 0.0000 0.0000
CP, BTU/LB-F N/A 0.631 0.620 0.675
DENSITY, LB/BBL N/A 261.310 267.014 285.429
SURFACE TENSION, DYNE/CM N/A 14.7490 16.0313 16.2526
THERMAL COND, BTU/HR-FT-F N/A 0.04572 0.04682 0.03919
VISCOSITY, CP N/A 0.27865 0.31502 0.58326

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STREAM ID 3 5 6 7
NAME GASOLINE LCO DRAW LCO

TBP AT 760 MM HG
0 LV PERCENT -99.178 -167.205 55.377 288.196
5 19.779 22.716 414.991 448.653
10 64.214 129.405 462.292 473.754
30 170.669 331.564 518.111 525.220
50 246.182 461.670 558.042 565.092
70 305.828 506.573 620.681 628.127
90 388.134 559.927 696.750 701.224
95 421.974 595.088 735.699 739.095
100 462.972 671.824 778.125 779.221
TBP AT 10 MM HG
0 LV PERCENT -204.974 -254.348 -90.420 88.653
5 -117.103 -114.908 189.637 216.871
10 -83.769 -34.349 227.959 237.299
30 -2.747 122.910 273.646 279.502
50 55.740 227.452 306.643 312.496
70 102.546 264.161 358.938 365.199
90 168.037 308.207 423.340 427.158
95 195.272 337.492 456.701 459.622
100 228.512 402.127 493.343 494.294
ASTM D86
0 LV PERCENT -70.768 -144.034 95.598 346.037
5 54.915 54.260 438.392 474.185
10 101.861 165.652 483.480 494.232
30 184.740 341.758 522.192 529.038
50 245.517 456.577 550.680 557.558
70 297.391 491.019 600.672 607.819
90 370.299 536.484 668.621 672.939
95 406.338 570.035 702.312 705.500
100 449.999 643.255 739.010 739.999
ASTM D1160
0 LV PERCENT -47.993 -237.362 -112.971 305.941
5 47.962 3.997 410.732 464.674
10 83.910 138.580 478.420 489.510
30 180.803 338.349 525.355 532.454
50 246.182 461.670 558.042 565.092
70 305.828 506.573 620.681 628.127
90 388.134 559.927 696.750 701.224
95 421.974 595.088 735.699 739.095
100 462.972 671.824 778.125 779.221
0 LV PERCENT -70.768 -144.034 95.598 346.037
5 54.915 54.260 438.392 474.185
10 101.861 165.652 478.724 488.917
30 184.740 341.758 515.122 521.463
50 245.517 456.577 541.278 547.496
70 297.391 485.877 585.456 591.557
90 370.299 528.320 640.825 644.125
95 406.338 558.671 665.809 668.081
100 449.999 620.882 690.996 691.645
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SOUR WATER STRIPPER
Refinery sour water is being processed in a sour water stripper using 50 psia stripping
steam. You wish to model the operation of this column in order to determine the
operating parameters which will reduce the ammonia content in the sour water to
0.02 weight percent.
Process Data The process flowsheet for the sour water stripper is shown below in Figure R6.1.
The sour water composition and thermal condition are as follows:
Table R6.1
Feed Stream
Component
Composition
(lb/hr)
N2 2.000
CH4 3.000
H2S 795.654
NH3 810.560
CO2 5.000
HCN 0.238
nC6 0.595
nC9 0.430
H2O 25584.713
Temperature (F) 150
Pressure (psia) 25
Youve estimated the 50 psia saturated stripping steam at 200 lbmole/hr and the
bottoms rate at 1446 lbmole/hr. The column operates at 20.8 psia with a 2.17 psi
pressure drop.
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PRO/II APPLICATION BRIEFS SOUR WATER STRIPPER R6-1
February 1992
Methods
and Data
The system keyword SOUR is used to select equilibrium and enthalpy data for the
sour water stripping calculations. This is a special data package provided as part of
the program specifically for sour water systems. Section 25, Application Guidelines,
in the PRO/II Keyword Input Manual is consulted to verify that the operating
conditions are within the recommended range of application of this method.
Simulation
Model
The stripper is modeled as an ordinary column with seven theoretical stages. The
sour water is fed to stage one and the stripping steam is fed to stage seven. The
stripping steam rate is varied to meet the column performance specification of 0.02
weight percent ammonia in the stripped water product.
The Inside/Out (I/O) algorithm is selected for rigorous solution of the sour water
stripper. The maximum number of iterations is increased from the default of 15 to
25 because of the non-ideal nature of the sour water system. A damping factor of
0.5 is specified to facilitate column convergence for the same reason.
The CONVENTIONAL initial estimate generator is selected since it normally provides
good starting profiles for sour water systems. Very occasionally it may be necessary
to employ the more CPU intensive CHEMICALS initial estimate generator for this
system.
Input Data Note how the stripping steam feed rate is varied to meet a column product specifi-
cation (Note 1) and how a K-value printout option was selected for all trays in the
column (Note 2).
Figure R6.1
Sour Water Stripper
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R6-2 SOUR WATER STRIPPER PRO/II APPLICATION BRIEFS
February 1992
Input Data File
TITLE PROJECT=APPBRIEFS,PROBLEM=R6, &
DIMEN ENGLISH,TIME=HR,WT=LB,TEMP=F,PRES=PSIA, &
ENER=BTU,WORK=HP,LIQV=FT3,VAPV=FT3,VISC=CP, &
COND=BTUH,SURF=DYNE,XDEN=API
DBASE DATA=PC1,IDATA=1,SDATA=SOUR
COMPONENT DATA
LIBID 1,N2/2,METHANE/3,HYSULFID/4,AMMONIA/ &
5,CO2/6,HYCYANID/7,HEXANE/8,NONANE/ &
9,H2O
THERMODYNAMIC DATA
METHOD KVALUE(VLE)=SOUR,ENTH(V)=SRKM,ENTH(L)=IDEA, &
DENS(V)=SRKM,DENS(L)=IDEA,SET=SET01, &
DEFAULT
STREAM DATA
COMP(W)=1,2/2,3/3,795.654/4,810.56/ &
5,5/6,0.238/7,0.595/8,0.43/ &
9,25584.713
PROP STREAM=2,PRES=50,PHASE=V, &
COMP(M)=9,200
UNIT OPERATIONS
COLUMN UID=COL1,NAME=SWS
PARAM TRAY=7,IO=25,DAMP=0.5
FEED 1,1/2,7,NOTSEP
PSPEC TOP=20.8,DPCOL=2.1678
SPEC STREAM=4,FRAC(W),COMP=4,4, &
VALUE=0.0002
VARY FEED=2 $NOTE 1
PRINT PROP=BRIE,ITER=NONE,XYDATA,KVALUE $NOTE 2
END
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February 1992
Results The sour water stripper solves in 17 iterations. The top temperature is 212 F and the
bottom temperature is 235 F.
The sour water method correctly predicts the distribution of sour water and hydro-
carbon components. Note that the gasoline (represented by nC6 and nC9) will be
stripped completely. The trace quantity of HCN in the feed will not be correctly
distributed in the model as it is not a part of the sour water package. In the actual
plant, significantly more than 10
-15
lbmole/hr of HCN will be present in the bottoms
product. The electrolyte version of PRO/II contains thermodynamic models that can
be used to predict HCN distribution in sour water strippers.
Conclusions 5441 lb/hr of 50 psia saturated stripping steam is required to reduce the ammonia
content in the sour water to 0.02 weight percent.
Output Partial results are shown below for the simulation input given above.
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Column Summary
UNIT 1, COL1, SWS


IN/OUT METHOD 17

COLUMN SUMMARY

---------------- ---------------- ---------------- -------------------- -------------------- -------------------- -------------------- ------------------------
1 211.7 20.80 1575.4 1491.5M 220.5V
2 221.6 21.16 1574.5 304.4
3 227.2 21.52 1574.4 303.4
4 230.6 21.88 1575.1 303.4
5 232.7 22.25 1576.2 304.1
6 234.2 22.61 1577.5 305.2
7 235.3 22.97 306.4 302.0V 1573.1L


---------------- ---------------------------------------- ------------ ------------ ---------------- ---------------------------- ----------------------------
FEED 1 MIXED 1 0.9997 1491.52 3.1794
FEED 2 VAPOR 7 0.0000 302.03 6.4097
PROD 3 VAPOR 1 220.48 3.8208
PROD 4 LIQUID 7 1573.07 5.7683


SPECIFICATIONS

--------------------------------- -------- ------------ ------------------------- -------------------- --------------------
STRM 4 7 4 WT FRACTION 2.000E-04 2.000E-04

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February 1992
Column Summary, contd.
UNIT 1, COL1, SWS
TRAY K-VALUES

COMPONENT TRAY 1 TRAY 2 TRAY 3 TRAY 4
------------------------ ------------------------ ------------------------ ----------------------------
1 N2 7.2609E+04 7.3756E+04 7.3404E+04 7.2497E+04
2 METHANE 4.3354E+04 4.4875E+04 4.5049E+04 4.4668E+04
3 HYSULFID 1.5466E+01 1.3077E+01 1.2228E+01 1.1842E+01
4 AMMONIA 7.6917E+00 9.3659E+00 1.0240E+01 1.0688E+01
5 CO2 2.0526E+01 2.7644E+01 3.6111E+01 4.3401E+01
6 HYCYANID 6.7890E+03 7.0939E+03 7.1199E+03 7.0356E+03
7 HEXANE 2.9872E+05 3.3272E+05 3.4122E+05 1.0000E+00
8 NONANE 1.7373E+06 2.0064E+06 2.0690E+06 1.0000E+00
9 H2O 7.0255E-01 8.3652E-01 9.1595E-01 9.5963E-01

TEMPERATURE, DEG F 211.737 221.556 227.211 230.583
PRESSURE, PSIA 20.800 21.161 21.523 21.884

COMPONENT TRAY 5 TRAY 6 TRAY 7
------------------------ ------------------------ ----------------------------
1 N2 1.0000E+00 1.0000E+00 1.0000E+00
2 METHANE 1.0000E+00 1.0000E+00 1.0000E+00
3 HYSULFID 1.1672E+01 1.1706E+01 1.2253E+01
4 AMMONIA 1.0896E+01 1.0968E+01 1.0925E+01
5 CO2 4.8962E+01 5.3590E+01 5.9707E+01
6 HYCYANID 1.0000E+00 1.0000E+00 1.0000E+00
7 HEXANE 1.0000E+00 1.0000E+00 1.0000E+00
8 NONANE 1.0000E+00 1.0000E+00 1.0000E+00
9 H2O 9.8181E-01 9.9255E-01 9.9763E-01

TEMPERATURE, DEG F 232.694 234.155 235.294
PRESSURE, PSIA 22.245 22.606 22.968

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February 1992
Stream Molar Component Rates
STREAM ID 1 2 3 4
NAME
PHASE MIXED VAPOR VAPOR LIQUID

1 N2 0.0714 0.0000 0.0714 2.0140E-18
2 METHANE 0.1870 0.0000 0.1870 3.8400E-17
3 HYSULFID 23.3473 0.0000 23.3100 0.0373
4 AMMONIA 47.5932 0.0000 47.2604 0.3328
5 CO2 0.1136 0.0000 0.1136 6.9092E-08
6 HYCYANID 8.8063E-03 0.0000 8.8060E-03 2.9332E-15
7 HEXANE 6.9043E-03 0.0000 6.9039E-03 3.1512E-17
8 NONANE 3.3526E-03 0.0000 3.3524E-03 7.1966E-20
9 H2O 1420.1886 302.0328 149.5188 1572.7026


TEMPERATURE, F 150.0000 281.2987 211.7375 235.2938
PRESSURE, PSIA 25.0000 50.0000 20.8000 22.9678
MOLE FRAC VAPOR 2.4033E-04 1.0000 1.0000 0.0000
MOLE FRAC LIQUID 0.9998 0.0000 0.0000 1.0000

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February 1992
Stream Summary
STREAM ID 1 2 3 4
NAME

---------------- TOTAL STREAM ----------------
RATE, LB-MOL/HR 1491.520 302.033 220.480 1573.073
M LB/HR 27.202 5.441 4.304 28.339
STD LIQ RATE, FT3/HR 447.890 87.283 80.511 454.662
TEMPERATURE, F 150.000 281.299 211.737 235.294
PRESSURE, PSIA 25.000 50.000 20.800 22.968
BTU/LB 116.882 1178.005 887.706 203.545
PRES (KAYS RULE) 7.9933E-03 0.0156 7.8012E-03 7.1601E-03
ACENTRIC FACTOR 0.3410 0.3480 0.3008 0.3480
WATSON K (UOPK) 8.878 8.762 9.493 8.762
STD LIQ DENSITY, LB/FT3 60.734 62.338 53.460 62.330
API GRAVITY 13.803 10.063 33.574 10.083

---------------- VAPOR ----------------
RATE, LB-MOL/HR 0.358 302.033 220.480 N/A
M LB/HR 8.338E-03 5.441 4.304 N/A
M FT3/HR 9.343E-02 46.976 75.591 N/A
STD VAP RATE(1), M FT3/HR 0.136 114.616 83.669 N/A
SPECIFIC GRAVITY (AIR=1.0) 0.803 0.622 0.674 N/A
Z (FROM K) 0.9960 0.9780 0.9897 N/A
ENTHALPY, BTU/LB 227.350 1178.005 887.706 N/A
CP, BTU/LB-F 0.405 0.465 0.432 N/A
DENSITY, LB/M FT3 89.239 115.827 56.939 N/A

---------------- LIQUID ----------------
M LB/HR 27.194 N/A N/A 28.339
FT3/HR 462.803 N/A N/A 478.454
GAL/MIN 57.700 N/A N/A 59.651
STD LIQ RATE, FT3/HR 447.632 N/A N/A 454.662
SPECIFIC GRAVITY (H2O=1.0) 0.9741 N/A N/A 0.9994
Z (FROM K) 1.5346E-03 N/A N/A 1.2675E-03
ENTHALPY, BTU/LB 116.848 N/A N/A 203.545
CP, BTU/LB-F 0.996 N/A N/A 1.012
DENSITY, LB/FT3 58.759 N/A N/A 59.230

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February 1992
CAUSTIC ADDITION TO SOUR
WATER STRIPPER
pH control is used to preferentially drive the acid gases or ammonia from the sour
water. The PRO/II Electrolyte version can be used to predict the effect of adding
incremental amounts of 50 weight percent caustic solution onto the top tray of the
column. In this addendum to R6, the CASESTUDY feature is used to show the effect
of caustic flowrate on the acid and basic gas content of the stripped water.
Process
Data
The flowsheet for this problem is shown in Figure R6A.1. The feed sour water stream
composition is the same as in the original problem. The caustic feed to the stripper
is 50% NaOH in water.
Methods
and Data
The electrolyte thermodynamic model SW01 is used for calculating vapor-liquid
phase equilibria. This model contains all the components appearing in the feed
streams.
Simulation
Model
The sour water caustic stripper is modeled, as in R6, as a 7 tray column. The ELDIST
algorithm is used, along with a damping factor of 0.5, and the initial estimate model
ELEC is selected.
Figure R6A.1
Sour Water Caustic Stripper
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February 1992
Input Data Note how the electrolyte option is selected (Note 1). The column is initially solved
with no caustic feed and a stripping steam rate of 200 lb moles/hr. A base case study
for a caustic feed rate of 5 lb moles/hr is subsequently obtained. Then, case studies
are generated by varying the caustic flowrate using CASESTUDY statements (Note
2).
Input Data File
TITLE NEWFILE=DB2,CASEID=BASECASE, &
PROJECT=APPBRIEFS,PROBLEM=R6A, &
DIMEN ENGLISH
PRINT ION=ALL,RATE=M,STREAM=ALL,INPUT=ALL
COMPONENT DATA
LIBID 1,N2/2,CH4/3,H2S/4,NH3/&
5,CO2/6,HCN/7,H2O/8,NAOH
THERMODYNAMIC DATA
METHODS SYSTEM=SW01 $NOTE 1
STREAM DATA
COMP(W)=1,2/2,3/3,795.654/4,810.56/ &
5,5/6,0.238/7,25584.7/8,0.0
PROP STREAM=2,PRES=50,PHASE=V, &
COMP(M)=7,200
RATE=5, &
COMP(W)=7,50/8,50,NORMALIZE

UNIT OPERATIONS

COLUMN UID=COL1,NAME=SWS
PARAM TRAY=7,ELDIST=25,DAMP=0.5,ERRINC=150
FEED 1,1/2,7/3,1,NOTSEP
PROD OVHD=3B,BTMS=4,1446
ESTI MODEL=ELEC
PRINT PROP=BRIE,ITER=NONE,XYDATA
CASESTUDY OLDCASE=BASECASE, NEWCASE=TWO $NOTE 2
CHANGE STREAM=3, RATE, VALUE=10
CASESTUDY OLDCASE=TWO, NEWCASE=THREE
CASESTUDY OLDCASE=THREE, NEWCASE=FOUR
CASESTUDY OLDCASE=FOUR, NEWCASE=FIVE
CASESTUDY OLDCASE=FIVE, NEWCASE=SIX
CASESTUDY OLDCASE=SIX, NEWCASE=SEVEN
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February 1992
Results Introducing a 40 lb mole/hr caustic feed onto the top tray reduces the concentration
of NH3 in the stripped water by 26.4%, while increasing the amount of HCN by 30.6%.
The concentrations of dissolved H2S and CO2 are also reduced by 81.5% and 99.8%.
The total H2S and CO2 concentrations in the stripped water do increase, however,
as the caustic feed is increased. This is because part of the H2S combines with the
NaOH in to the stripped water to form NaHS, while part of the CO2 combines to form
NaHCO3 and Na2CO3. Increasing the caustic produces an increase in the amount
of NH3 removed from the stripped water, while further increasing the HCN and total
H2S and CO2 concentrations. Table R6A.1 shows the concentrations (in mole
percent) of H2S, CO2, HCN and NH3 in the stripped water (stream 4) as a function
of the caustic flowrate and stream pH and ionic strength.
Table R6A.1
Effect of Caustic on Stripped Water Concentrations
H2S mole % CO2 mole %
Stream 4
pH
Stream 4
Ionic
Strength
Caustic
Flowrate
lb mole/hr As
H2S
As
H2S +
NaHS
As
CO2
As
CO2 +
NaHCO3 +
Na2CO3
HCN
mole %
NH3
mole %
8.33240 0.15885
0
0.2772 0.2772 3.8044e-3 3.8044e-3 3.1170e-4 2.3200
8.40565 0.19033
5
0.2408 0.3316 9.3040e-4 4.0452e-3 3.2420e-4 2.2620
8.48890 0.21388
10
0.1892 0.3761 8.2317e-4 4.2428e-3 3.2966e-4 2.1105
8.64361 0.28816
20
0.1314 0.4994 6.2445e-4 4.6930e-3 3.5547e-4 1.9805
8.96470 0.45796
40
0.0514 0.7830 5.9336e-6 5.4630e-3 4.0719e-4 1.7075
9.30597 0.65158
60
1.4171e-3 1.0800 2.3745e-6 6.1080e-3 4.5890e-4 1.4124
9.65483 0.87317
80
7.4779e-4 1.3481 7.3188e-7 7.3400e-3 5.0949e-4 1.0836
10.36170 1.23136
100
1.0627e-4 1.3395 3.2595e-8 6.5222e-3 5.0530e-4 1.0401
Output Selected portions of the stream output summary were extracted from all the case
studies.
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February 1992
Caustic Feed: 0 lbmoles/hr
CASE ZERO STREAM MOLAR COMPONENT RATES FEBRUARY 1992
==============================================================================

STREAM ID 1 2 3B 4
NAME
PHASE LIQUID VAPOR VAPOR LIQUID

1 N2 0.0714 0.0000 0.0712 1.6481E-09
2 CH4 0.1870 0.0000 0.1866 1.6481E-09
3 H2S 23.3454 0.0000 18.7436 4.5679
4 NH3 47.5944 0.0000 9.4389 38.2351
5 CO2 0.1136 0.0000 0.0512 0.0627
6 HCN 8.8064E-03 0.0000 3.6655E-03 5.1379E-03
7 H2O 1420.1666 200.0000 14.9201 1605.2013
8 ETHANE 0.0000 0.0000 0.0000 0.0000
9 C6H5OH 0.0000 0.0000 0.0000 0.0000
10 HCL 0.0000 0.0000 0.0000 0.0000
11 HCOOH 0.0000 0.0000 0.0000 0.0000
12 PROPANE 0.0000 0.0000 0.0000 0.0000
13 H3PO4 0.0000 0.0000 0.0000 0.0000
14 NAHCO3 0.0000 0.0000 0.0000 0.0000
15 NA2CO3 0.0000 0.0000 0.0000 0.0000
16 NAOH 0.0000 0.0000 0.0000 0.0000
17 NACL 0.0000 0.0000 0.0000 0.0000
18 NAHS 0.0000 0.0000 0.0000 0.0000

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February 1992
Caustic Feed: 40 lbmoles/hr
CASE FOUR STREAM MOLAR COMPONENT RATES FEBRUARY 1992
==============================================================================
STREAM ID 1 2 3 3B
NAME
PHASE MIXED MIXED LIQUID VAPOR

1 N2 0.0714 0.0000 0.0000 0.0714
2 CH4 0.1870 0.0000 0.0000 0.1870
3 H2S 23.3454 0.0000 0.0000 10.1753
4 NH3 47.5945 0.0000 0.0000 18.8737
5 CO2 0.1136 0.0000 0.0000 0.0217
6 HCN 8.8064E-03 0.0000 0.0000 1.9574E-03
7 H2O 1420.1670 200.0000 27.5783 19.9800
8 NAOH 0.0000 0.0000 12.4217 0.0000
9 ETHANE 0.0000 0.0000 0.0000 0.0000
10 C6H5OH 0.0000 0.0000 0.0000 0.0000
11 HCL 0.0000 0.0000 0.0000 0.0000
12 HCOOH 0.0000 0.0000 0.0000 0.0000
13 PROPANE 0.0000 0.0000 0.0000 0.0000
14 H3PO4 0.0000 0.0000 0.0000 0.0000
15 NAHCO3 0.0000 0.0000 0.0000 0.0000
16 NA2CO3 0.0000 0.0000 0.0000 0.0000
17 NACL 0.0000 0.0000 0.0000 0.0000
18 NAHS 0.0000 0.0000 0.0000 0.0000

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February 1992
Caustic Feed: 40 lbmoles/hr, contd.
CASE THREE STREAM MOLAR COMPONENT RATES FEBRUARY 1992
==============================================================================
STREAM ID 4
NAME
PHASE LIQUID

1 N2 0.0000
2 CH4 0.0000
3 H2S 2.1854
4 NH3 32.9341
5 CO2 0.0104
6 HCN 5.9102E-03
7 H2O 1621.5627
8 NAOH 0.0000
9 ETHANE 0.0000
10 C6H5OH 0.0000
11 HCL 0.0000
12 HCOOH 0.0000
13 PROPANE 0.0000
14 H3PO4 0.0000
15 NAHCO3 0.0677
16 NA2CO3 0.0000
17 NACL 0.0000
18 NAHS 6.1188


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February 1992
STABILIZER
A column to stabilize a wild naphtha stream to an RVP of 12 psi has been designed.
You are to check the design and establish the duties and reflux to limit the total C5
loss in the overhead to 0.3 lb mole/hr.
Process Data The flow sheet is shown in Figure R7.1. The column has a kettle reboiler and a bubble
point condenser. The feed composition and conditions are listed in Table R7.1.
Figure R7.1
Cyclohexane Plant Flow Sheet
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PRO/II APPLICATION BRIEFS STABILIZER R7-1
February 1992
Table R7.1
Ethane 1 N-pentane 175
Propane 5 N-hexane 200
I-butane 100 N-heptane 100
N-butane 100 N-octane 75
I-pentane 150 N-decane 50
Temperature (F)
100
Pressure (psia)
100
Methods
and Data
The Grayson-Streed system is chosen for the thermodynamic calculations. This
system uses the Grayson-Streed correlation for the K-values, Curl-Pitzer for enthal-
pies, SRK for vapor density, and API for liquid density. It gives good results with
nearly all refinery hydrocarbon simulations involving components ranging from
propane to gas oils.
When specifying RVP, PRO/II uses the API data book nomographs for naphtha
(default) or for crude oil. This may give different results from rigorous laboratory
measurements using the ASTM D323-72 test procedure.
Simulation
Model
The stabilizer is modeled as a conventional distillation column with 21 theoretical
stages (including condenser and reboiler). The feed enters at tray 17 and the
overhead product is at its bubble point. The condenser and reboiler duties are varied
to achieve the RVP and C5 loss specifications.
Input Data The dimensional units and print options are left as the default values. This means
that the dimensional units are the standard English set.
No solution method is specified for the column, so it defaults to the Inside-Out method.
No estimate data are required other than for the overhead product.
The specification on the C5 loss in the overhead is that the sum of the i-pentane and
n-pentane (components 5 and 6) must be 0.3 lb mole/hr. The API nomograph for
naphtha is used for the RVP specification.
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R7-2 STABILIZER PRO/II APPLICATION BRIEFS
February 1992
Input Data File
Results The column design meets the required performance. The condenser and reboiler
duties are shown on the column summary output. The reflux is shown as the liquid
from tray 1.
Output The column summary output shows rates, temperatures, pressures, and, duties.
The full stream output, consisting of the component flow rates and the stream
property summary, is also shown.

DESC RIGOROUS MODEL OF STABILIZER COLUMN
COMPONENT DATA
LIBID 1,C2/2,C3/3,IC4/4,NC4/5,IC5/6,NC5/&
7,NC6/8,NC7/9,NC8/10,NC10
THERMODYNAMIC DATA
METHOD SYSTEM=GS
STREAM DATA
PROP STREAM=FD,TEMP=100,PRES=100,PHASE=M,RATE=956,&
COMP=1,1/2,5/3,100/4,100/5,150/6,175/&
7,200/8,100/9,75/10,50
UNIT OPERATIONS
COLUMN UID=STAB,NAME=STABILIZER
PARAM TRAY=21
FEED FD,17
COND TYPE=BUBB,PRESS=65
PROD OVHD=OV,93,BTMS=BT
HEAT 1,1/2,21
VARY HEAT=1,2
PRESS 1,65/2,70/21,75
SPEC STREAM=OV,RATE,COMP=5,6,VALUE=0.3
SPEC STREAM=BT,RVP,VALUE=12
END
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Stabilizer Column Summary
UNIT 1, STAB, STABILIZER


IN/OUT METHOD 4

COLUMN SUMMARY

---------------- ---------------- -------------------- -------------------- -------------------- -------------------- -------------------- ----------------------------
1 97.1 65.00 301.8 152.2L -3.8293
2 108.9 70.00 310.8 454.0
3 111.3 70.26 310.0 463.0
4 112.8 70.53 308.6 462.1
5 114.2 70.79 306.9 460.8
6 115.7 71.05 304.5 459.0
7 117.5 71.32 301.2 456.7
8 120.0 71.58 296.9 453.4
9 123.3 71.84 291.5 449.0
10 127.4 72.11 285.6 443.7
11 132.1 72.37 279.9 437.8
12 137.0 72.63 275.0 432.1
13 141.7 72.89 270.7 427.2
14 146.0 73.16 266.2 422.9
15 150.5 73.42 258.2 418.4
16 157.1 73.68 234.3 410.4
17 175.0 73.95 1572.8 386.5 956.0L
18 181.5 74.21 1581.2 769.0
19 190.0 74.47 1588.3 777.4
20 202.5 74.74 1572.0 784.5
21 228.6 75.00 768.2 803.8L 9.0366


-------------------- ------------ ---------------- ------------ ------------ -------------------- ---------------------------- --------------------------------
FEED FD LIQUID 17 1.0000 956.00 2.8869
PRODUCT OV LIQUID 1 152.18 0.3146
PRODUCT BT LIQUID 21 803.82 7.7807


SPECIFICATIONS

------------------------ ------------ ------------ ------------------------------------ ------------------------ ------------------------
STRM OV 1 5- 6 MOL RATE 3.000E-01 3.003E-01
STRM BT 21 RVP 1.200E+01 1.200E+01
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Stream Component Flow Rates
STREAM ID BT FD OV
NAME

1 C2 1.3828E-04 1.0000 0.9999
2 C3 0.0437 5.0000 4.9563
3 IC4 17.5931 100.0000 82.4068
4 NC4 36.4819 100.0000 63.5179
5 IC5 149.7076 150.0000 0.2923
6 NC5 174.9920 175.0000 0.0079
7 NC6 200.0000 200.0000 1.9440E-09
8 NC7 100.0000 100.0000 9.3039E-16
9 NC8 75.0000 75.0000 4.3970E-22
10 NC10 50.0000 50.0000 0.0000


TEMPERATURE, F 228.5544 100.0000 97.0885
PRESSURE, PSIA 75.0000 100.0000 65.0000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000
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Product Stream Summary
STREAM ID BT FD OV
NAME

---------------- TOTAL STREAM ----------------
RATE, LB-MOL/HR 803.818 956.000 152.181
M LB/HR 69.510 78.262 8.752
STD LIQ RATE, FT3/HR 1685.716 1932.215 246.498
TEMPERATURE, F 228.554 100.000 97.088
PRESSURE, PSIA 75.000 100.000 65.000
BTU/LB 111.936 36.887 35.946
MOLE FRACTION LIQUID 1.0000 1.0000 1.0000
REDUCED TEMP (KAYS RULE) 0.7629 0.6382 0.7482
PRES (KAYS RULE) 0.1692 0.2178 0.1199
ACENTRIC FACTOR 0.2946 0.2773 0.1861
WATSON K (UOPK) 12.884 12.978 13.720
STD LIQ DENSITY, LB/FT3 41.235 40.504 35.505
SPECIFIC GRAVITY 0.6612 0.6495 0.5693
API GRAVITY 82.514 86.376 117.050

---------------- VAPOR ----------------
RATE, LB-MOL/HR N/A N/A N/A
M LB/HR N/A N/A N/A
M FT3/HR N/A N/A N/A
STD VAP RATE(1), M FT3/HR N/A N/A N/A
SPECIFIC GRAVITY (AIR=1.0) N/A N/A N/A
MOLECULAR WEIGHT N/A N/A N/A
Z (FROM K) N/A N/A N/A
ENTHALPY, BTU/LB N/A N/A N/A
CP, BTU/LB-F N/A N/A N/A
DENSITY, LB/M FT3 N/A N/A N/A

---------------- LIQUID ----------------
RATE, LB-MOL/HR 803.818 956.000 152.181
M LB/HR 69.510 78.262 8.752
FT3/HR 1972.234 1993.906 258.558
GAL/MIN 245.889 248.591 32.236
STD LIQ RATE, FT3/HR 1685.716 1932.215 246.498
SPECIFIC GRAVITY (H2O=1.0) 0.6612 0.6495 0.5693
Z (FROM K) 0.0000 0.0000 0.0000
ENTHALPY, BTU/LB 111.936 36.887 35.946
CP, BTU/LB-F 0.711 0.545 0.570
DENSITY, LB/FT3 35.244 39.251 33.849

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February 1992
STABILIZER OPTIMIZATION
The OPTIMIZER function of PRO/II can be used to locate the optimum feed tray
location by minimizing the column reboiler duty. The partial input file for this example
is given below:
Input Data File
UNIT OPS
COLUMN UID=STAB,NAME=STABILIZER
PARA TRAY=21
FEED FD,17
PROD OVHD=OV,93,BTMS=BT
COND TYPE=BUBB,PRES=65
HEAT 1,1/2,21
PRES 1,65/2,70/21,75
VARI HEAT=1,2
SPEC STRM=OV,RATE,COMP=5,6,VALUE=0.3
SPEC STRM=BT,RVP,VALUE=12.0

OPTIMIZER UID=OPT1,NAME=OPTIMIZER
OBJECTIVE COLUMN=STAB,DUTY(2),MINIMIZE
VARY COLUMN=STAB,FTRAY(1),MINI=2,MAXI=20,STEP=1
OPTPARAMETER IPRINT=ALL

END
Results The optimum feed location is found to be between trays 15 and 16, resulting in a
minimum reboiler duty of 8.8163 MMBtu/hr. This minimum is a reduction of 2.4% from
the original duty of 9.0366 MMBtu/hr.
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February 1992
Output Selection portions of the output are given below:
OPTIMIZER SUMMARY MARCH 1992
==============================================================================
UNIT 2, OPT1, OPTIMIZER
BEST OBJECTIVE FUNCTION = 8.81782E+00 AT CYCLE NUMBER 3
*** FRACTIONAL RELATIVE CHANGE IN OBJECTIVE IS LESS THAN 5.0000E-03 ***
VARY ------------------------ VARIABLE ------------------------
INDEX INITIAL VALUE OPTIMUM VALUE
------------ -------------------------------- --------------------------------
1 1.70000E+01 1.52574E+01
OPTIMIZER HISTORY
---------------- VALUES ----------------
CYCLE 1 2 BEST - 3 4
---------------------------- ------------------------ ---------------------------- ---------------------------- ------------------------
VARY 1 1.7000E+01 1.6000E+01 1.5257E+01 1.4257E+01
OBJECTIVE 9.0377E+00 8.8693E+00 8.8178E+00 8.8269E+00
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February 1992
COLUMN SUMMARY MARCH 1992
==============================================================================
UNIT 1, STAB, STABILIZER
IN/OUT METHOD 22
COLUMN SUMMARY
------------------------ NET FLOW RATES ------------------------ HEATER
---------------- ---------------- -------------------- -------------------- -------------------- -------------------- -------------------- ----------------------------
1 96.7 65.00 277.2 151.1L -3.6088
2 108.4 70.00 285.5 428.4
3 110.8 70.26 284.6 436.6
4 112.3 70.53 283.4 435.8
5 113.6 70.79 281.8 434.5
6 115.1 71.05 279.6 432.9
7 117.0 71.32 276.5 430.7
8 119.4 71.58 272.4 427.6
9 122.6 71.84 267.3 423.5
10 126.7 72.11 261.5 418.4
11 131.5 72.37 255.6 412.7
12 136.7 72.63 249.3 406.8
13 142.4 72.89 240.2 400.5
14 150.2 73.16 216.7 391.4
15 169.2 73.42 1203.7 367.8 709.9L
16 173.1 73.68 1553.2 644.9 246.1L
17 177.4 73.95 1558.7 748.4
18 183.1 74.21 1564.8 753.9
19 191.0 74.47 1571.2 759.9
20 202.9 74.74 1555.1 766.4
21 228.5 75.00 750.2 804.9L 8.8163
TYPE STREAM PHASE FROM TO LIQUID PCT FLOW RATES HEAT RATES
------------ ---------------------------- ---------------- ------------ ------------ ------------ ------------ ---------------------------- --------------------------------
FEED FD LIQUID 15 1.0000 74.3 709.94 2.1438
LIQUID 16 1.0000 25.7 246.06 .7430
PROD OV LIQUID 1 151.15 .3100
PROD BT LIQUID 21 804.85 7.7847
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February 1992
NAPHTHA SPLITTER
A column splits out the C5 components from a naphtha stream for use as an
isomerization feedstock. Recent analyses have found an excessive amount of
heavier components in the isomerization feed which has an adverse effect on the
process.
You must determine the operating conditions which will meet the required specifica-
tions and calculate the C5 product flowrate.
Process Data The flow sheet and process conditions are shown in Figure R8.1. The isomerization
feed is the product from the sidestripper.
The feed composition and conditions are listed in Table R8.1.
Figure R8.1
Naphtha Splitter Column
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PRO/II APPLICATION BRIEFS NAPHTHA SPLITTER R8-1
February 1991
Table R8.1
Component weight % Component weight %
Ethane 0.05 Cyclohexane 1.04
Propane 2.45 1,1-Dimethylcyclo-

pentane
3.03
i-Butane 2.15 2-Methylhexane 3.09
n-Butane 5.74 Heptane 3.10
i-Pentane 4.01 2,2,4-Trimethylpentane 4.23
n-Pentane 4.90 Methylcyclohexane 2.43
Cyclopentane 0.11 Toluene 2.28
2-Methylpentane 4.52 1,1-Dimethylcyclohexane 3.12
Hexane 3.73 1-Methyl-2-ethylcyclo-

pentane
2.77
Methylcyclopentane 2.34 C8+ 43.95
Benzene 0.96
Flowrate (bbl/hr)
670
Temperature (F)
360
Pressure (psig)
165
The column specifications required to produce the defined isomerization feed stream
are listed in Table R8.2. The amount of C5 components in the overhead and the C6
in the bottoms are limited in order to force the C5 cut into the sidedraw. The
sidestripper specifications restrict the amount of C4 and C6 components in the
isomerization feed.
Table R8.2
PRODUCT SPECIFICATIONS
Specification Value
i-Pentane in overhead product (LV %)
1.3
2-Methylpentane in bottom product (LV %)
5.0
Butane in sidestripper product (LV %)
1.5
Hexane in sidestripper product (LV %)
4.0
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R8-2 NAPHTHA SPLITTER PRO/II APPLICATION BRIEFS
February 1991
Methods
and Data
The Soave-Redlich-Kwong system is specified for all thermodynamic calculations.
The default API liquid density method is used. The heavy C8+ component is defined
as decane. The exact nature of this component is not important, as virtually all of it
leaves in the bottom product of the column.
Simulation
Model
The main column has 31 theoretical stages, including the reboiler and bubble point
condenser. The reboiled sidestripper contains 8 theoretical stages. The column and
sidestripper are modeled as conventional columns and use the default IO solution
method which calculates them simultaneously. The duties and the rates between the
column and sidestripper are calculated to meet the purity specifications.
Input Data English units are used in this simulation with the pressure changed to psig and the
liquid volume to U.S. barrels. The stream print options specify that only weight flow
rates and compositions will be output.
The column output is limited by the PROPTABLES=BRIEF statement.
Input Data File:
DIMENSION ENGLISH,LIQVOL=BBL,PRESS=PSIG
PRINT STREAMS=PART,RATE=W,PERCENT=W
COMPONENT DATA
LIBID 1,C2/2,C3/3,IC4/4,NC4/5,IC5/6,NC5/&
7,CP/8,2MP/9,NC6/10,MCP/11,BENZENE/&
12,CH/13,11CP/14,2MHX/15,NC7/16,224MPN/&
17,MCH/18,TOLUENE/19,11MCH/20,1T2ECP/21,NC10,,C8+
THERMODYNAMIC DATA
METHODS SYSTEM=SRK
STREAM DATA
PROP STREAM=FD,PRES=165,TEMP=360,RATE(LV)=670,&
COMP(W)=0.05/2.45/2.15/5.74/4.01/4.90/0.11/4.52/3.73/&
2.34/0.96/1.04/3.03/3.09/3.10/4.23/2.43/2.28/&
3.12/2.77/43.95,NOCHECK
PROP
STREAM=VAP,PHASE=V,TEMP=400,COMP(W)=3,5000/5000/5000/5000
UNIT OPERATIONS
COLUMN UID=SPLT,NAME=SPLITTER COL
PARA TRAY=31
COND TYPE=BUBBLE
ESTI MODEL=CONV,RRATIO=8
FEED FD,19/VAP,9
PROD OVHD=OVHD,300,LDRAW=SLIQ,11,600,BTMS=BTMS
HEAT 1,31/2,1
VARY HEAT=1,2
SPEC STREAM=OVHD,COMP=5,FRACT(LV),VALUE=0.013
SPEC STREAM=BTMS,COMP=8,FRACT(LV),VALUE=0.05
PRES 1,145/2,150/30,155/31,156
PRINT PROPTABLES=BRIEF
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February 1991
Results The column can meet the required specifications on the C5 product with column and
sidestripper reboiler duties of 13.4 and 4.8 MM Btu/hr respectively. The condenser
duty is -16.9 MM Btu/hr.
The flow rate of the C5 product is 16964 lb/hr.
Conclusions Unless there are hydraulic restrictions, the existing configuration can produce the
required isomerization feedstock if the calculated duties are available. If the column
does not meet the specification with these operating conditions, then it will be
necessary to investigate the column for mechanical problems such as tray fouling.
Output The column summaries show the internal flow rates in the columns, as well as the
duties required to meet the specifications. The weight flow rates and compositions
are also shown for the feed and product streams.

SIDE UID=SS1,NAME=SIDESTRIPPER
PARA TRAY=8
ESTI MODEL=CONV
FEED SLIQ,1
PROD OVHD=VAP,450,BTMS=MID
HEAT 1,8
VARY FEED=SLIQ,HEAT=1
SPEC STREAM=MID,COMP=3,4,FRACT(LV),VALUE=0.015
SPEC STREAM=MID,COMP=9,FRACT(LV),VALUE=0.04
PRES 1,153/7,154/8,155
END
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February 1991
COLUMN SUMMARY
UNIT 1, SPLT, SPLITTER COL


IN/OUT METHOD 4

COLUMN SUMMARY

------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- ------------------------
1 139.1 145.00 1914.9 314.1L -16.8578
2 160.4 150.00 1944.3 2229.0
3 171.5 150.18 1941.0 2258.4
4 179.0 150.36 1920.8 2255.1
5 185.7 150.54 1886.5 2234.9
6 192.9 150.71 1845.0 2200.6
7 201.1 150.89 1805.0 2159.2
8 209.9 151.07 1772.5 2119.1
9 218.5 151.25 1746.5 2086.6 566.1V
10 222.2 151.43 1727.7 1494.5
11 227.9 151.61 978.0 1475.8 719.0L
12 237.0 151.79 943.6 1445.1
13 246.2 151.96 905.4 1410.7
14 256.0 152.14 864.9 1372.5
15 266.4 152.32 823.4 1332.0
16 277.6 152.50 776.7 1290.5
17 290.1 152.68 700.8 1243.8
18 308.9 152.86 554.9 1167.9
19 345.3 153.04 1774.6 1022.0 1649.0M
20 349.4 153.21 1816.7 592.7
21 353.0 153.39 1853.3 634.8
22 356.3 153.57 1885.9 671.4
23 359.4 153.75 1915.9 704.0
24 362.4 153.93 1944.3 734.0
25 365.5 154.11 1972.0 762.5
26 368.9 154.29 1999.8 790.1
27 372.9 154.46 2028.6 817.9
28 378.2 154.64 2058.4 846.7
29 386.4 154.82 2083.9 876.6
30 401.6 155.00 2085.5 902.0
31 434.9 156.00 903.7 1181.9L 13.3691
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February 1991
COLUMN SUMMARY (Cont)
UNIT 1, SPLT, SPLITTER COL (CONT)

SIDESTRIPPER SS1

------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- ------------------------
1/ 32 237.9 153.00 732.3 719.0L 566.1V
2/ 33 244.8 153.17 739.5 579.4
3/ 34 250.1 153.33 744.8 586.6
4/ 35 254.3 153.50 748.5 591.8
5/ 36 257.8 153.67 750.4 595.5
6/ 37 261.1 153.83 749.8 597.4
7/ 38 264.7 154.00 744.5 596.9
8/ 39 270.1 155.00 591.6 153.0L 4.8325


------------- ------------ ------------ -------- -------- ---------------- ------------------------ ------------------------
FEED VAP VAPOR 9 0.0000 566.07 8.9196
FEED FD MIXED 19 0.7559 1648.97 34.1102
PRODUCT OVHD LIQUID 1 314.13 1.0989
PRODUCT SLIQ LIQUID 11 719.05 5.6987
PRODUCT BTMS LIQUID 31 1181.86 32.7447

SIDESTRIPPER SS1

FEED SLIQ LIQUID 32 1.0000 719.05 5.6987
PRODUCT VAP VAPOR 32 566.07 8.9196
PRODUCT MID LIQUID 39 152.97 1.6115


SPECIFICATIONS

----------------- -------- ------------ ------------------------- -------------------- --------------------
STRM OVHD 1 5 VOL FRACTION 1.300E-02 1.300E-02
STRM BTMS 31 8 VOL FRACTION 5.000E-02 5.000E-02
STRM MID 39 3- 4 VOL FRACTION 1.500E-02 1.500E-02
STRM MID 39 9 VOL FRACTION 4.000E-02 4.000E-02
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February 1991
STREAM WEIGHT FLOW RATES
STREAM ID BTMS FD MID OVHD
NAME
PHASE LIQUID MIXED LIQUID LIQUID

FLUID RATES, LB/HR
1 C2 5.3243E-06 81.8971 5.5359E-06 81.8970
2 C3 0.1598 4012.9587 0.1035 4012.6890
3 IC4 15.3029 3521.5762 8.8150 3497.4409
4 NC4 173.5092 9401.7891 147.1731 9081.0459
5 IC5 2005.3937 6568.1494 4317.0903 245.6333
6 NC5 3337.5042 8025.9175 4645.6128 42.7764
7 CP 111.8197 180.1736 68.2835 0.0700
8 2MP 6133.2505 7403.4990 1270.2023 0.0363
9 NC6 5635.7979 6109.5244 473.7136 0.0020
10 MCP 3611.5837 3832.7847 221.1956 8.8315E-04
11 BENZENE 1493.0245 1572.4248 79.3979 3.2323E-04
12 CH 1664.0233 1703.4598 39.4352 3.7904E-05
13 11CP 4930.0918 4962.9653 32.8704 2.8524E-06
14 2MHX 5038.5024 5061.2412 22.7368 6.9696E-07
15 NC7 5071.0850 5077.6211 6.5360 2.8785E-08
16 224MPN 6921.9785 6928.4956 6.5127 2.2901E-08
17 MCH 3976.5859 3980.2002 3.6123 1.9852E-08
18 TOLUENE 3732.5833 3734.5083 1.9246 4.6620E-09
19 11MCH 5110.2339 5110.3799 0.1461 5.3930E-12
20 1T2ECP 4536.9546 4537.1006 0.1450 5.7634E-12
21 C8+ 71987.6172 71987.5547 1.2526E-04 1.2336E-13

TOTAL RATE, LB/HR 135487.0156 163794.2188 11345.5078 16961.5918

TEMPERATURE, F 434.9331 360.0000 270.0992 139.1167
PRESSURE, PSIG 156.0000 165.0000 155.0000 145.0000
WEIGHT FRAC VAPOR 0.0000 0.1631 0.0000 0.0000
WEIGHT FRAC LIQUID 1.0000 0.8369 1.0000 1.0000
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February 1991
STREAM WEIGHT COMPOSITIONS (%)
STREAM ID BTMS FD MID OVHD
NAME
PHASE LIQUID MIXED LIQUID LIQUID

FLUID WEIGHT PERCENTS
1 C2 3.9297E-09 0.0500 4.8793E-08 0.4828
2 C3 1.1793E-04 2.4500 9.1226E-04 23.6575
3 IC4 0.0113 2.1500 0.0777 20.6198
4 NC4 0.1281 5.7400 1.2972 53.5389
5 IC5 1.4801 4.0100 38.0511 1.4482
6 NC5 2.4633 4.9000 40.9467 0.2522
7 CP 0.0825 0.1100 0.6019 4.1244E-04
8 2MP 4.5268 4.5200 11.1956 2.1394E-04
9 NC6 4.1597 3.7300 4.1753 1.2059E-05
10 MCP 2.6656 2.3400 1.9496 5.2068E-06
11 BENZENE 1.1020 0.9600 0.6998 1.9057E-06
12 CH 1.2282 1.0400 0.3476 2.2347E-07
13 11CP 3.6388 3.0300 0.2897 1.6817E-08
14 2MHX 3.7188 3.0900 0.2004 4.1090E-09
15 NC7 3.7429 3.1000 0.0576 1.6971E-10
16 224MPN 5.1090 4.2300 0.0574 1.3501E-10
17 MCH 2.9350 2.4300 0.0318 1.1704E-10
18 TOLUENE 2.7549 2.2800 0.0170 2.7486E-11
19 11MCH 3.7718 3.1200 0.0013 3.1795E-14
20 1T2ECP 3.3486 2.7700 0.0013 3.3979E-14
21 C8+ 53.1325 43.9500 1.1041E-06 7.2731E-16

TOTAL RATE, LB/HR 135487.0156 163794.2188 11345.5078 16961.5918

TEMPERATURE, F 434.9331 360.0000 270.0992 139.1167
PRESSURE, PSIG 156.0000 165.0000 155.0000 145.0000
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February 1991
C3 SPLITTER
C3 Splitter Propane/propylene is to be split in a conventional fractionator with 149 theoretical
trays including condenser and reboiler. VLE data is available at the column thermal
conditions, from which Peng-Robinson interaction coefficients were regressed,
using REGRESS, a program available from Simulation Sciences Inc.
Process
Data
The flow sheet is shown in Figure P1.1.
Figure P1.1
C3 SPLITTER COLUMN
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PRO/II APPLICATION BRIEFS C3 SPLITTER P1-1
February 1991
The feed composition is as follows:

Component lb moles/hr
Ethane 0.3
Propylene 550.0
Propane 200.0
Butane 5.0

The known process conditions are as follows:

Pressure (psia)
Thermal
Conditions
Feed 240
Bubble point
Condenser 220
Bubble point
Column
top
reboiler
225
250

The feed is pumped from grade to feed tray. This, however, is not significant to the
simulation and will be ignored.
Methods and
Data
Peng-Robinson is selected for equilibrium, enthalpy, and vapor phase density
calculations, while Lee-Kesler is used for liquid phase density. REGRESS calcu-
lated the Peng-Robinson interaction coefficient (KIJ) between propane and propene
to be 0.00663.
Simulation
Model
The propane/propylene splitter is modeled as a conventional distillation column with
149 theoretical stages, including the condenser and reboiler. The column has a
bubble point condenser and tight composition specifications on the top and bottom
products.
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P1-2 C3 SPLITTER PRO/II APPLICATION BRIEFS
February 1991
Input Data The input data follows below. English dimensional units are used throughout the
simulation. The KIJ is entered following the KVALUE statement in the thermo data
section.

Output Selected trays from the column summary are shown here. Note the excellent overall
material balance on the Stream Component Flow Rates Summary, despite the large
number of trays.
TITL PROBLEM=P1, PROJECT=APPBRIEFS,*
USER=SIMSCI, DATE=OCTOBER 90
COMP DATA
LIBID 1,C2/2,PROPENE/3,C3/4,NC4
THERMO DATA
METHOD SYSTEM=PR,DENSITY(L)=LK
KVALUE
KIJ 2,3,0.00663
STREAM DATA
PROP STRM=FD,PHASE=L,PRES=240,*
COMP=0.3/550/200/5
UNIT OPS DATA
COLUMN UID=C3SP
PARA TRAY=149, IO=40
FEED FD,110
PROD OVHD=TOPS,542,BTMS=BOTS
COND TYPE=BUBB
PRES 1,220/2,225/149,250
HEAT 1,1/2,149
ESTIMATE MODEL=CONV,RRATIO=15
SPEC STRM=BOTS,COMP=2,FRAC(V),VALUE=0.04
SPEC STRM=TOPS,COMP=3,FRAC(W),VALUE=0.004
VARY HEAT=1,2
END
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SUMMARY FOR
IO COLUMN UNIT 1, C3SP

UNIT 1, C3SP


IN/OUT METHOD 4

COLUMN SUMMARY

------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- ------------------------
1 97.1 220.00 8714.9 543.2L -52.7784
2 98.9 225.00 8794.2 9258.0
3 99.0 225.17 8796.6 9337.4
10 99.5 226.36 8812.0 9353.0
20 100.1 228.06 8834.2 9375.1
30 100.8 229.76 8857.0 9397.8
40 101.4 231.46 8880.7 9421.5
50 102.2 233.16 8905.5 9446.1
60 102.9 234.86 8930.9 9471.6
70 103.8 236.56 8956.7 9497.3
80 104.7 238.27 8982.8 9523.4
90 105.8 239.97 9010.0 9550.5
110 108.5 243.37 9826.6 9606.5 755.3L
120 110.8 245.07 9864.3 9648.2
130 114.8 246.77 9905.7 9689.4
140 119.0 248.47 9948.0 9731.7
146 120.9 249.49 9961.0 9751.5
147 121.2 249.66 9949.5 9748.9
148 121.9 249.83 9917.2 9737.5
149 123.0 250.00 9705.1 212.1L 52.7016
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February 1991

STREAM MOLAR
COMPONENT RATES

------------- ------------ ------------ -------- -------- ---------------- ------------------------ ------------------------
FEED FD LIQUID 110 1.0000 755.30 1.5633
PRODUCT TOPS LIQUID 1 543.16 0.9145
PRODUCT BOTS LIQUID 149 212.06 0.5729


SPECIFICATIONS

----------------- -------- ------------ ------------------------- -------------------- --------------------
STRM BOTS 149 2 VOL FRACTION 4.000E-02 4.000E-02
STRM TOPS 1 3 WT FRACTION 4.000E-03 4.000E-03
STREAM ID BOTS FD TOPS
NAME

1 C2 1.8333E-14 0.3000 0.3000
2 PROPENE 9.1431 549.9999 540.7905
3 C3 197.9158 200.0000 2.0732
4 NC4 5.0000 5.0000 2.0893E-14


TEMPERATURE, F 123.0034 107.3672 97.1400
PRESSURE, PSIA 250.0000 240.0000 220.0000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000
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February 1991
AROMATICS SEPARATION
A distillation column has been designed to remove toluene and biphenyl impurities
from a predominantly benzene stream. The benzene is the overhead product with
the biphenyl in the bottoms. The toluene product is a vapor side draw from the
column.
You have to simulate the design to ensure that all the required product specifications
will be met.
Process
Data
The process flow diagram and the column operating conditions are shown in Figure
P2.1. The column has 39 theoretical trays including the reboiler and total condenser.
The vapor side draw is taken from tray 32.
The feed composition and thermal conditions are in Table P2.1.
Figure P2.1
Aromatics Separation Column
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PRO/II APPLICATION BRIEFS AROMATICS SEPARATION P2-1
August 1995
Table P2.1
Component kmol/hr
Benzene
302
Toluene
16
Biphenyl
14
Temperature (K) 380
Pressure (kPa) 180
The column must meet the three purity specifications which are shown in Table
P2.2.
Table P2.2
COLUMN SPECIFICATIONS
Specification Value
Benzene mole % in overhead
99.95
Toluene mole % in side draw
95.0
Biphenyl mole % in bottoms
95.5
Methods
and Data
The Grayson-Streed thermodynamic method is selected as the most suitable for
this type of aromatic system. Curl-Pitzer is used for enthalpy and the API Data Book
method for liquid density.
Simulation
Model
The column is simulated as a conventional fractionator and uses the default IO
solution method.
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P2-2 AROMATICS SEPARATION PRO/II APPLICATION BRIEFS
August 1995
Input Data SI units are used throughout, and the stream compositions are printed by entering
the PRINT PERCENT statement.
The condenser and reboiler duties and the side draw rate are varied to meet the purity
specifications.
Input Data File:
TITLE PROBLEM=P2,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=AUG 95
PRINT PERCENT
DIMEN SI
COMPONENT DATA
LIBID 1,BENZENE/2,TOLUENE/3,BIPHENYL
THERMODYNAMIC DATA
METHODS SYSTEM=GS
STREAM DATA
PROP STREAM=1,TEMP=380,PRES=180,COMP=1,302/2,16/3,14
NAME 1,FEED/2,BENZENE/3,TOLUENE/4,BIPHENYL
UNIT OPERATIONS
COLUMN UID=BTB,NAME=AROMATIC TWR
PARAM TRAY=39
FEED 1,19
COND TYPE=TFIX,PRESS=129,TEMP=343
PROD OVHD=2,BTMS=4,14,VDRAW=3,32,16
HEAT 1,1/2,39
VARY HEAT=1,2,DRAW=3
ESTI CTEMP=343,RRATIO=1
SPEC STREAM=2,FRAC,COMP=1,VALUE=0.9995,RTOL=2.5E-4
SPEC STREAM=3,FRAC,COMP=2,VALUE=0.95,ATOL=0.001
SPEC STREAM=4,FRAC,COMP=3,VALUE=0.955,RTOL=0.001
END
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COLUMN SUMMARY OUTPUT
UNIT 1, BTB, AROMATIC TWR


IN/OUT METHOD 5

COLUMN SUMMARY

DEG K KPA KG-MOL/HR M*KJ/HR
------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- ------------------------
1C 343.0 129.00 312.7 301.4L -20.1394
2 367.6 150.00 347.7 614.1
3 367.8 151.11 347.5 649.0
4 368.1 152.22 347.4 648.9
5 368.4 153.32 347.1 648.7
6 368.7 154.43 346.9 648.5
7 369.0 155.54 346.7 648.3
8 369.4 156.65 346.5 648.1
9 369.7 157.76 346.3 647.9
10 370.0 158.86 346.0 647.7
11 370.3 159.97 345.7 647.4
12 370.7 161.08 345.4 647.1
13 371.0 162.19 345.0 646.7
14 371.4 163.30 344.5 646.3
15 371.8 164.41 344.0 645.9
16 372.2 165.51 343.5 645.4
17 372.6 166.62 342.9 644.9
18 373.0 167.73 339.6 644.3
19 374.6 168.84 487.0 640.9 332.0M
20 375.0 169.95 487.0 456.4
21 375.3 171.05 486.7 456.4
22 375.9 172.16 485.9 456.1
23 376.7 173.27 483.9 455.2
24 378.2 174.38 480.2 453.3
25 380.7 175.49 474.2 449.6
26 384.5 176.59 466.6 443.6
27 389.8 177.70 459.6 435.9
28 395.5 178.81 455.7 429.0
29 400.4 179.92 454.8 425.1
30 403.9 181.03 455.3 424.2
31 406.2 182.14 456.1 424.7
32 407.5 183.24 456.8 425.5 16.0V
33 408.3 184.35 457.3 442.2
34 408.9 185.46 457.6 442.6
35 409.3 186.57 457.7 443.0
36 409.7 187.68 452.2 443.1
37 412.7 188.78 371.7 437.5
38 454.6 189.89 242.8 357.1
39R 539.2 191.00 228.2 14.6L 14.6586
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COLUMN SUMMARY OUTPUT (Cont)
UNIT 1, BTB, AROMATIC TWR (CONT)


TRAY TRAY FRAC KG-MOL/HR M*KJ/HR
--------- ------------------------ ------------ -------- -------- ------------ ------------------------ ------------------------
FEED 1 MIXED 19 .4513 332.00 10.4489
PROD 2 LIQUID 1 301.36 2.9450
PROD 3 VAPOR 32 15.99 .8628
PROD 4 LIQUID 39 14.65 1.1618


SPECIFICATIONS

--------------------------------- -------- ------------ ------------------------- -------------------- --------------------
STRM 2 1 1 MOL FRACTION 9.995E-01 9.995E-01

REFLUX RATIOS

---------------- REFLUX RATIOS ----------------
MOLAR WEIGHT STD L VOL
----------------- ----------------- -----------------
REFLUX / FEED STREAM 1 .9420 .8974 .9066
REFLUX / LIQUID DISTILLATE 1.0377 1.0377 1.0377
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ETHYLENE
FRACTIONATOR
The ethylene reactor effluent from your ethylene plant is quenched in a primary
fractionator with heavy fuel oil. You wish to determine the product split from the
fractionator for an alternate plant operating case which will result in a modified
reactor effluent stream feeding the fractionator.
Process
Data
The process flowsheet for the ethylene plant primary fractionator and water quench
system is shown below in Figure P3.1. The system consists of the primary
fractionator, a gas oil side stripper, a heavy fuel oil side stripper, and a water quench
tower.
The ethylene reactor effluent enters below the bottom tray of the primary fractionator
and is quenched with heavy fuel oil, a portion of which is combined with the effluent
feed and the remaining portion which is fed to the tray above. Further quenching
takes place in the column and the overhead product enters a water quench tower
for final quenching.
Products from the primary fractionator include a gas oil side product and a heavy
fuel oil bottoms product. Products from the water quench tower include the raw gas
overhead product and the liquid product which is separated into gasoline and water
products in a two-phase liquid separator. A large portion of the gasoline product
provides reflux to the primary fractionator.
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PRO/II APPLICATION BRIEFS ETHYLENE FRACTIONATOR P3-1
February 1992
Figure P3.1
Ethylene Quench System-Process Flow Diagram
Figure P3.2
Ethylene Quench System-Simulation Flow Diagram
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P3-2 ETHYLENE FRACTIONATOR PRO/II APPLICATION BRIEFS
February 1992
The information for the feed stream is given in the table below:
Table P3.1
Ethylene Fractionator Feed
Component
Reactor
Effluent
(Lbmol/hr)
Wash Gas
(Lbmol/hr) API
Water 41760 125 ----
H2 2672 1 ----
Methane 4825 1 ----
Ethylene 7355 11 ----
Propylene 2467 14 ----
i-Butane 1324 22 ----
3-Methyl-1-Butene 156 2 ----
1-Hexene 203 19 ----
Benzene 398 36 ----
1-Heptene 59 26 ----
Toluene 242 27 ----
N-Octane 31 ---- ----
M-Xylene 148 38 ----
BP 316 57 15 22.81
BP 338 173 43 20.65
BP 363 66 18 18.55
BP 388 38 ---- 16.67
BP 425 75 ---- 16.63
BP 475 137 ---- 16.36
BP 525 112 ---- 11.43
BP 575 61 ---- 9.30
BP 650 87 ---- 5.88
BP 750 59 ---- 1.36
BP 1100 157 ---- - 9.52
Total 62122 398
Temperature (F) 1067 300 ----
Pressure (psia) Feed Tray Pressure ----
Operating conditions based on recent plant test data are:
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Table P3.2
Operating Conditions
Primary Fractionator
Gasoline reflux (BPH) 3000
Gas oil stripper liquid draw (BPH) 155
Heavy fuel oil stripper draw (BPH) 406
Quench oil combined with feed
Rate (BPH)
Temperature (F)
33000
365
Quench oil to tray 13
Temperature (F) 320
Primary fractionator bottom tray temp (F) 420
Stripping steam (50 psia sat steam)
Gas oil stripper (lb/hr) 23000
Hvy fuel oil stripper (lb/hr) 27000
Tray 1 pressure (psia) 23.0
Tray 10 pressure (psia) 25.0
Water Quench Tower
Tray 1 temp/press (F/psia) 105/21.0
Product rates are estimated as follows:
Table P3.3
Estimated Product Rates
Stream Rate (Lbmol/hr)
Raw Gas 20640
Water 600000
Gasoline 500
Gas Oil 325
Heavy Fuel Oil 530
Methods
and Data
The Peng-Robinson (PR) thermodynamic system is used, along with COSTALD
liquid densities as recommended in the Application Guidelines of the PRO/II
Keyword Input Manual. Peng-Robinson is a cubic equation of state recommended
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for most light-hydrocarbon, petrochemical applications. Other methods recom-
mended for this type of system include Soave-Redlich-Kwong and Benedict-Webb-
Rubin-Starling equations of state.
Simulation
Model
The simulation flowsheet is shown above in Figure P3.2. Note that the water quench
tower, primary fractionator, and fuel oil stripper are combined together into a single
column of 16 theoretical stages. The advantage of this simulation model is the
elimination of the gasoline recycle stream between the primary fractionator and the
quench tower.
The special FREEWATER option available in the SURE algorithm is used to allow
a water liquid phase as well as a hydrocarbon liquid phase to exist on each column
tray . The water is decanted from the quench section of the column with a total
water draw on tray number 4. The gasoline product is produced as a side draw,
also from tray number 4. The net liquid from tray 4 to tray 5 (excluding the gasoline
product) corresponds to the gasoline reflux stream in the original flowsheet.
The water quench system is simulated with a water feed on each of the top four
column trays. The water flowrates are adjusted to meet the specifications on tray
temperatures in the actual quench tower using a multivariable controller (MVC).
Although the SURE algorithm supports varying the feed rates within the column
algorithm, varying them externally via the MVC is easier to converge in this case.
The heavy fuel oil quench stream which is combined with the reactor effluent feed
stream prior to entering the primary fractionator is simulated by a pumparound circuit
from tray 14 to tray 14 with a cooler on tray 14 (the feed tray). The circulation rate
of the 365 F fuel oil quench stream is specified at 33000 BPH.
The quench recycle to the tray above the feed tray, tray 13, is also modeled as a
pumparound circuit, and the associated cooler Q5 is placed on tray 13. The return
temperature is set at 320 F with PRO/II calculating the quench recycle rate.
The following column operating parameters are specified:
Tray 1 Temperature (F) 105
Tray 4 net liquid gasoline reflux (BPH) 3000
Tray 12 draw Gas Oil Stripper feed (BPH) 155
and the following column operating parameters are calculated:
Water quench rates (W1, W2, W3, W4)
Pumparound coller duty (Q5)
Gasoline product rate (stream 4)
Gas Oil Stripper draw rate (stream 7)
Input Data Note the selection of LIQVOL=BBL to change the default liquid volume units of FT3
(cubic feet) to BBL (API barrels) (Note 1). The heavy boiling components in the
feed are characterized as petroleum components. The input reprint summary is
suppressed and the standard stream reports are suppressed and replaced with user
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defined stream reports (Note 2). An MVC unit is used to set the water quench tower
tray temperatures (Note 3).
Input Data File
TITLE PROBLEM=P3, PROJECT=APPBRIEF, USER=SIMSCI, DATE=FEB 1992
DIME LIQVOL=BBL $NOTE 1
PRINT INPUT=NONE, STREAM=NONE, TBP

COMPONENT DATA
LIBID 1, WATER / 2, H2 / 3, METHANE / 4, ETHENE / &
5, PROPENE / 6, 1BUTENE / 7, 3M1BUTEN / &
8, 1HEXENE / 9, BENZENE / 10, 1HEPTENE / &
11, TOLUENE / 12, OCTANE / 13, MXYLENE
PETR 14,BP316,,22.81,316 / 15,BP338,,20.65,338 / &
16,BP363,,18.55,363 / 17,BP388,,16.67,388 / &
18,BP425,,16.63,425 / 19,BP475,,16.36,475 / &
20,BP525,,11.43,525 / 21,BP575,,9.3,575 / &
22,BP650,,5.88,650 / 23,BP750,,1.39,750 / &
24,BP1100,,-9.52,1100

THERMO DATA
METHODS SYSTEM=PR,DENSITY(L)=COSTALD

STREAM DATA
PROP STREAM=1, TEMP=1067, COMP=41760/2672/4285/7355/2467/1324/ &
156/203/398/59/242/31/148/57/173/66/38/75/137/112/61/87/59/157
PROP STREAM=2, TEMP=300, COMP=125/1/1/11/14/22/2/19/36/26/27/0/38/15/43/18
PROP STREAM=S1, PRES=50, PHASE=V, RATE(WT)=23000, COMP=1,100
PROP STREAM=S2, PRES=50,PHASE=V, RATE(WT)=27000, COMP=1,100
PROP STREAM=6, PRES=50, PHASE=V, RATE(WT)=23000, COMP=1,100
PROP STREAM=W1, PRES=50,TEMP=75, COMP=45000
NAME 1, REACT EFF / 2, WASH GAS / 3, RAW GAS / 4, GASOLINE / 5, WATER / &
6, GAS OIL RECYCLE / 7, GAS OIL DRAW 8, GAS OIL / 9, FUEL OIL
OUTPUT FORMAT=1, STREAMS=1,3,4,9 $NOTE 2
FORMAT IDNO=1, LINE, DRY, NAME, RATE, LINE, CRATE, LINE, CPCT

COLUMN UID=T123, NAME=QUENCH SYS
PARA TRAY=16, SURE=10, FREEWATER
FEED 1,14/S2,16/2,4/6,10/W1,1/W2,2/W3,3/W4,4,SEPARATE
PROD OVHD=3,20640, LDRAW=4,4,500, WATER=5,4,600000, LDRAW=7,11,325, BTMS=9
DUTY 1,13/2,14
PA FROM=14, TO=14, TEMP=365, RATE(LV)=33000
PA FROM=14, TO=13, TEMP=320
PRES 1,21/2,21.6/3,22.3/4,22.8/5,23/16,25
TEMP 1,105/2,130/3,145/4,175/5,250/13,340/14,420/16,380
VAPO 1,20640/2,22000/4,29000/5,73000/10,70000/14,66000/15,1700/16,1550
SPEC TEMP, TRAY=14, VALUE=420
SPEC RATE(LV), PHASE=L, TRAY=4, VALUE=3000
SPEC STRM=7, RATE(LV), VALUE=155
VARY DUTY=1,DRAW=4,7

SIDESTRIPPER NAME=GO STRIP, UID=T4
PARA TRAY=2, SURE=10, FREEWATER
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FEED 7,1/S1,2 PROD OVHD=6, BTMS=8,300
PSPEC PTOP=24
ESTI MODEL=CONV

MVC $NOTE 3
VARY STREAM=W1,RATE
VARY STREAM=W2,RATE
VARY STREAM=W3,RATE
VARY STREAM=W4,RATE
SPEC COLUMN=T123,TEMP,TRAY=1,VALUE=105
MVCPARAMETER CYCLES=15
Results The multivariable controller solved in eight cycles. The temperature of the primary
fractionator ranges from 231 F on the top tray to 420 F on the bottom tray (as
specified). The top temperature of the gas oil stripper is 267 F and the bottom
temperature is 246 F, while the top temperature of the heavy fuel oil stripper is 401
F and the bottom temperature is 370 F. The primary fractionator reflux ratio
(gasoline reflux rate/gasoline product rate) is 16.96.
Approximately 1650 gpm of water at 175 F is drawn off the water quench tower
(stream 5), excluding quench water. The water flow rates to the quench tower total
approximately 20300 gpm.
Conclusions The product split from the ethylene plant primary fractionator is:
Raw Gas 186.4 MMSCFD
Gasoline 4240 BPD
Gas Oil 3133 BPD
Heavy Fuel Oil 8517 BPD
Output Partial results are shown below for the simulation input given above.
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Water Quench Tower/
Primary Fractionator/
Heavy Fuel Oil Stripper Summary
COLUMN SUMMARY FEBRUARY 1992
============================================================================

UNIT 1, T123, QUENCH SYS


SURE METHOD 75

COLUMN SUMMARY

-------------------- NET FLOW RATES --------------------------------
HEATER
------------------------------------------------------------------------------------------------------------------------------------------------
-----
1 105.0 21.00 47445.6 46353.6W 20467.5V
2 125.0 21.60 70986.9 21559.5 21844.0W
3 145.0 22.30 155866.1 23256.8 78607.0W
4 175.0 22.80 8465.4 29529.0 398.0V 499.2L
417105.2W 607489.4W
5 230.8 23.00 8502.6 72613.6
6 244.2 23.18 8252.3 72650.9
7 251.1 23.36 7935.3 72400.6
8 257.4 23.55 7499.7 72083.6
9 265.6 23.73 6803.6 71647.9
10 278.8 23.91 5744.5 70951.9 1334.6V
11 300.2 24.09 4233.7 68558.2 344.9L
12 326.4 24.27 2734.3 67392.3
13 366.7 24.45 21581.9 65892.9 -220.3885
14 420.0 24.64 535.1 68002.5 62122.0V -332.7706
15 401.2 24.82 496.0 1571.6
16 369.8 25.00 1532.5 1498.8V 462.2L

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Water Quench Tower/
Heavy Fuel Oil Stripper Summary,
contd.

----------------------------------------------------------------------------------------------------------------------------------------------------
-----
FEED W1 WATER 1 1.0000 46353.62 35.9343
FEED W2 WATER 2 1.0000 21844.03 16.9339
FEED W3 WATER 3 1.0000 78607.02 60.9378
FEED 2 VAPOR 4 0.0000 398.00 8.8599
FEED W4 WATER 4 1.0000 417105.19 323.3484
FEED 6 VAPOR 10 0.0000 1334.56 28.5650
FEED 1 VAPOR 14 0.0000 62121.99 1727.7562
FEED S2 VAPOR 16 0.0000 1498.75 31.7371
PROD 3 VAPOR 1 20467.53 108.0054
PROD 4 LIQUID 4 499.16 1.2868
PROD 5 WATER 4 607489.44 1563.8646
PROD 7 LIQUID 11 344.86 2.9739
PROD 9 LIQUID 16 462.18 4.7815

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Water Quench Tower/
Heavy Fuel Oil Stripper Summary,
contd.
==============================================================================

UNIT 1, T123, QUENCH SYS (CONT)

PUMPAROUNDS

TRAY TEMP, DEG F LIQUID FRACTION ---------------- RATES --------------------------------
----------------------------------------------------------------------------------------------------------------------------------------------------
-----
14 14 420.0 365.0 1.0000 1.0000 44918.00 12456.277 32964.82
14 13 420.0 320.0 1.0000 1.0000 16737.94 4641.622 12283.78

SPECIFICATIONS

--------------------------------------------------------------------------------------------------------------------------------------------
TRAY LIQ 4 VOL RATE 3.000E+03 3.000E+03
STRM 7 11 VOL RATE 1.550E+02 1.550E+02

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Gas Oil Stripper Summary
==============================================================================

UNIT 2, T4, GO STRIP


SURE METHOD 64

COLUMN SUMMARY

-------------------- NET FLOW RATES --------------------------------
HEATER
----------------------------------------------------------------------------------------------------------------------------------------------------
-
1 266.8 24.00 319.5 344.9L 1334.5V
2 245.9 24.00 1309.2 1276.7V 287.0L


----------------------------------------------------------------------------------------------------------------------------------------------------
-----
FEED 7 LIQUID 1 1.0000 344.86 2.9739
FEED S1 VAPOR 2 0.0000 1276.71 27.0353
PROD 6 VAPOR 1 1334.55 28.5659
PROD 8 LIQUID 2 287.02 1.4427


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User-defined Stream Output
USER DEFINED PROPERTIES SET FEBRUARY 1992
==============================================================================

STREAM ID 1 3 4 9
NAME REACT EFF RAW GAS GASOLINE FUEL OIL
PHASE WET VAPOR WET VAPOR WET LIQUID WET LIQUID

*** DRY BASIS ***
NAME REACT EFF RAW GAS GASOLINE FUEL OIL
RATE, LB-MOL/HR 20362.0000 19399.6563 496.2291 456.6123

COMP. MOLE RATES,
LB-MOL/HR
1 WATER 0.0000 0.0000 0.0000 0.0000
2 H2 2672.0000 2672.9846 0.0238 2.0983E-09
3 METHANE 4285.0000 4285.7163 0.2974 1.4020E-07
4 ETHENE 7355.0000 7364.3945 1.6344 1.8901E-06
5 PROPENE 2466.9998 2479.0618 1.9469 6.4845E-06
6 1BUTENE 1324.0000 1343.1765 2.8274 2.1278E-05
7 3M1BUTEN 156.0000 157.3366 0.6639 8.6731E-06
8 1HEXENE 203.0000 218.8731 3.1271 8.9915E-05
9 BENZENE 398.0000 420.1191 13.8735 7.7173E-04
10 1HEPTENE 59.0000 81.9571 3.0418 1.1664E-04
11 TOLUENE 242.0000 239.1875 29.7692 2.5471E-03
12 OCTANE 31.0000 27.0199 3.9751 2.9955E-04
13 MXYLENE 148.0000 97.0124 88.8062 7.7605E-03
14 BP316 57.0000 7.6973 63.9976 9.7558E-03
15 BP338 173.0000 4.9088 207.4531 0.0637
16 BP363 66.0000 0.2101 68.3769 0.0679
17 BP388 38.0000 2.1687E-03 6.2836 0.1538
18 BP425 75.0000 1.3480E-06 0.1309 1.6688
19 BP475 137.0000 2.2374E-11 3.1363E-04 23.7625
20 BP525 112.0000 5.2621E-17 1.2417E-07 71.5908
21 BP575 61.0000 2.4120E-23 1.2515E-11 56.6864
22 BP650 87.0000 0.0000 1.8724E-17 86.6241
23 BP750 59.0000 0.0000 3.1362E-26 58.9890
24 BP1100 157.0000 0.0000 0.0000 156.9839

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COMP. MOLE PERCENTS
1 WATER 0.0000 0.0000 0.0000 0.0000
2 H2 13.1225 13.7785 4.7878E-03 4.5954E-10
3 METHANE 21.0441 22.0917 0.0599 3.0704E-08
4 ETHENE 36.1212 37.9615 0.3294 4.1393E-07
5 PROPENE 12.1157 12.7789 0.3923 1.4201E-06
6 1BUTENE 6.5023 6.9237 0.5698 4.6600E-06
7 3M1BUTEN 0.7661 0.8110 0.1338 1.8994E-06
8 1HEXENE 0.9970 1.1282 0.6302 1.9692E-05
9 BENZENE 1.9546 2.1656 2.7958 1.6901E-04
10 1HEPTENE 0.2898 0.4225 0.6130 2.5544E-05
11 TOLUENE 1.1885 1.2329 5.9991 5.5782E-04
12 OCTANE 0.1522 0.1393 0.8011 6.5603E-05
13 MXYLENE 0.7268 0.5001 17.8962 1.6996E-03
14 BP316 0.2799 0.0397 12.8968 2.1366E-03
15 BP338 0.8496 0.0253 41.8059 0.0140
16 BP363 0.3241 1.0829E-03 13.7793 0.0149
17 BP388 0.1866 1.1179E-05 1.2663 0.0337
18 BP425 0.3683 6.9487E-09 0.0264 0.3655
19 BP475 0.6728 1.1533E-13 6.3202E-05 5.2041
20 BP525 0.5500 2.7125E-19 2.5022E-08 15.6787
21 BP575 0.2996 1.2433E-25 2.5221E-12 12.4145
22 BP650 0.4273 0.0000 3.7733E-18 18.9710
23 BP750 0.2898 0.0000 6.3201E-27 12.9188
24 BP1100 0.7710 0.0000 0.0000 34.3801

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Multivariable Controller
MULTIVARIABLE CONTROLLER SUMMARY FEBRUARY 1992
==============================================================================

UNIT 3

BEST CYCLE = 8

VARIABLE SPECIFIED CALCULATED RELATIVE RELATIVE
VALUE VALUE VALUE TOLERANCE ERROR
------------------------------------------------------------------------------------------------------------------------------------
----
1 4.63536E+04 1.05000E+02 1.05002E+02 9.52381E-04 2.00544E-05
2 2.18440E+04 1.25000E+02 1.24988E+02 8.00000E-04 -9.39941E-05
3 7.86070E+04 1.45000E+02 1.44992E+02 6.89655E-04 -5.61944E-05
4 4.17105E+05 1.75000E+02 1.74997E+02 5.71429E-04 -1.62179E-05

CONVERGENCE HISTORY

CYCLE 1 CYCLE 2 CYCLE 3 CYCLE 4 CYCLE 5
------------------------------------------------------------------------------------------------------------------------
-----
VARY 1 4.5000E+04 4.9500E+04 4.9500E+04 4.9500E+04 4.9500E+04
VARY 2 2.2000E+04 2.2000E+04 2.4200E+04 2.2000E+04 2.2000E+04
VARY 3 7.8000E+04 7.8000E+04 7.8000E+04 8.5800E+04 7.8000E+04
VARY 4 4.1300E+05 4.1300E+05 4.1300E+05 4.1300E+05 4.5430E+05
SPEC 1 1.0722E+02 1.0366E+02 1.0224E+02 1.0032E+02 9.6331E+01
REL ERR 2.11E-02 -1.28E-02 -2.62E-02 -4.46E-02 -8.26E-02
SPEC 2 1.2724E+02 1.2430E+02 1.2246E+02 1.1991E+02 1.1435E+02
REL ERR 1.79E-02 -5.62E-03 -2.03E-02 -4.07E-02 -8.52E-02
SPEC 3 1.4671E+02 1.4517E+02 1.4426E+02 1.4116E+02 1.3576E+02
REL ERR 1.18E-02 1.14E-03 -5.13E-03 -2.65E-02 -6.37E-02
SPEC 4 1.7583E+02 1.7530E+02 1.7502E+02 1.7422E+02 1.6937E+02
REL ERR 4.72E-03 1.74E-03 1.32E-04 -4.46E-03 -3.22E-02
SUM SQ ERR 9.2998E-04 1.9866E-04 1.1270E-03 4.3635E-03 1.9176E-02

CYCLE 6 CYCLE 7 CYCLE 8
---------------------------- ---------------------------- ----------------------------
VARY 1 4.6843E+04 5.1343E+04 4.6354E+04
VARY 2 2.1706E+04 2.1706E+04 2.1844E+04
VARY 3 7.8583E+04 7.8583E+04 7.8607E+04
VARY 4 4.1696E+05 4.1696E+05 4.1711E+05
SPEC 1 1.0476E+02 1.0139E+02 1.0500E+02
REL ERR -2.29E-03 -3.44E-02 2.01E-05
SPEC 2 1.2485E+02 1.2190E+02 1.2499E+02
REL ERR -1.24E-03 -2.48E-02 -9.40E-05
SPEC 3 1.4493E+02 1.4334E+02 1.4499E+02
REL ERR -4.77E-04 -1.14E-02 -5.62E-05
SPEC 4 1.7498E+02 1.7445E+02 1.7500E+02
REL ERR -9.16E-05 -3.17E-03 -1.62E-05
SUM SQ ERR 7.0080E-06 1.9348E-03 1.2658E-08
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TBP/ASTM Curves
==============================================================================

STREAM ID 1 2 3 4
NAME REACT EFF WASH GAS RAW GAS GASOLINE

TBP AT 760 MM HG
0 LV PERCENT -423.040 -197.865 -423.040 -36.602
5 -382.363 -51.137 -393.182 211.399
10 -300.366 20.916 -321.998 258.406
30 -188.200 183.080 -204.213 306.242
50 -107.071 237.466 -134.028 328.276
70 -4.966 312.016 -63.502 344.629
90 438.234 351.128 64.767 361.955
95 708.486 360.850 183.044 372.038
100 1100.000 363.000 264.245 381.567
TBP AT 10 MM HG
0 LV PERCENT -434.554 -276.396 -434.554 -158.997
5 -406.465 -169.724 -413.956 28.693
10 -349.204 -116.253 -364.394 65.288
30 -269.460 6.807 -280.946 102.873
50 -210.735 48.945 -230.346 120.303
70 -135.545 107.433 -178.828 133.288
90 208.423 138.460 -83.352 147.092
95 433.364 146.210 6.780 155.146
100 782.047 147.925 69.857 162.772
0 LV PERCENT -419.984 -177.064 -419.984 -3.397
5 -370.675 -18.655 -383.018 243.441
10 -271.279 59.135 -294.887 290.227
30 -172.436 196.905 -188.708 317.140
50 -103.158 236.957 -129.961 326.039
70 -4.774 303.375 -62.126 334.895
90 418.799 334.456 56.414 344.945
95 676.755 348.285 178.522 358.922
100 1050.457 351.343 262.353 372.131
0 LV PERCENT -354.066 -194.147 -359.603 -105.573
5 -329.294 -40.031 -342.484 211.678
10 -279.140 35.571 -301.511 271.346
30 -177.346 192.028 -193.765 310.873
50 -107.071 237.466 -134.028 328.276
70 -4.966 312.016 -63.502 344.629
90 438.234 351.128 64.767 361.955
95 708.486 360.850 183.044 372.038
100 1100.000 363.000 264.245 381.567
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TBP/ASTM Curves, contd.
0 LV PERCENT -419.984 -177.064 -419.984 -3.397
5 -370.675 -18.655 -383.018 243.441
10 -271.279 59.135 -294.887 290.227
30 -172.436 196.905 -188.708 317.140
50 -103.158 236.957 -129.961 326.039
70 -4.774 303.375 -62.126 334.895
90 418.799 334.456 56.414 344.945
95 647.020 348.285 178.522 358.922
100 830.685 351.343 262.353 372.131
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==============================================================================

STREAM ID 6 7 8 9
NAME GAS OIL RECYCLE GAS OIL DRAW GAS OIL FUEL OIL

TBP AT 760 MM HG
0 LV PERCENT -57.810 208.802 332.054 461.205
5 314.423 355.854 368.721 497.827
10 340.028 373.414 386.525 531.631
30 373.696 417.973 428.966 646.392
50 400.720 451.128 458.891 815.318
70 433.526 484.295 490.795 1042.172
90 482.276 522.420 525.025 1100.000
95 506.980 548.422 553.123 1100.000
100 527.803 574.116 581.888 1100.000
TBP AT 10 MM HG
0 LV PERCENT -174.640 26.681 123.299 227.074
5 109.336 142.226 152.494 256.986
10 129.631 156.246 166.746 284.789
30 156.471 192.042 200.921 380.595
50 178.145 218.881 225.191 525.727
70 204.611 245.907 251.225 728.739
90 244.257 277.194 279.341 782.047
95 264.495 298.670 302.564 782.047
100 281.631 320.000 326.473 782.047
0 LV PERCENT -26.228 260.653 393.196 532.042
5 342.697 384.889 405.937 540.527
10 368.074 399.724 412.124 548.359
30 382.648 425.530 436.161 645.436
50 396.976 446.273 453.861 801.180
70 420.676 469.578 475.836 1003.669
90 461.409 500.230 502.749 1057.138
95 486.846 526.005 530.444 1042.677
100 508.285 551.475 558.796 1057.138
0 LV PERCENT -218.722 245.039 371.912 503.264
5 315.839 372.459 390.861 523.333
10 352.018 387.707 400.086 541.916
30 379.164 424.366 434.878 649.334
50 400.720 451.128 458.891 815.318
70 433.526 484.295 490.795 1042.172
90 482.276 522.420 525.025 1100.000
95 506.980 548.422 553.123 1100.000
100 527.803 574.116 581.888 1100.000
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0 LV PERCENT -26.228 260.653 393.196 524.234
5 342.697 384.889 405.937 532.025
10 368.074 399.724 412.124 539.169
30 382.648 425.530 436.161 622.632
50 396.976 446.273 453.861 728.731
70 420.676 469.578 475.836 816.075
90 461.409 494.576 496.947 832.644
95 481.919 518.658 522.761 828.316
100 502.146 541.998 548.611 832.644
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CYCLOHEXANE PLANT
A plant to produce cyclohexane by the hydrogenation of benzene has been designed.
To obtain good heat control, three reactors are used in series. The process has a
large recycle of unreacted hydrogen, a small quantity being purged to control the
buildup of inerts in the system. The recycle is typically five times the fresh hydrogen
feed to the process, and so it plays a major part in the costs of operating the process.
You wish to calculate the recycle rate in order to size the compressor and the
associated pipework. You also need to know the vent rate to ensure that the flare
header can handle it.
Process
Data
The process flow sheet is shown in Figure P4.1. The feed conditions are shown in
Table P4.1, and the feed and recycle stream compositions are in Table P4.2
Figure P4.1
Cyclohexane Plant Flow Sheet
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PRO/II APPLICATION BRIEFS CYCLOHEXANE PLANT P4-1
February 1991
Table P4.1
STREAM CONDITIONS
Stream Rate Temp(F) Pres (psig)
Benzene to RX-1 (Bbl/hr) 48.4 100 540
Make-up hydrogen (MSCFH) 540.0 100 540
Recycle cyclohexane estimate (Bbl/hr) 225.0 120 615
Recycle hydrogen estimate (MSCFH) 300.0 150 484
Cooling water
-
60
-
Steam
- -
300
Table P4.2
FEED AND RECYCLE STREAM COMPOSITIONS (mole %)
Component
Benzene
Feed
Make-up
Hygrogen
Recycle
Hydrogen
Recycle
Cyclohexane
Hydrogen
-
97.25 90.0 0.5
Methane
-
2.75 8.0 1.5
Benzene 100.0
- - -
Cyclohexa
ne
- -
2.0 98.0
The total hydrogen feed to the reactor section is 7772.5 lb moles/hr.
65% by volume of the liquid from separator D-1 is recycled back to the reactors. The
remainder is the liquid product. 40% by volume of the recycled liquid is fed to reactor
RX-1, with the rest to RX-2.
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P4-2 CYCLOHEXANE PLANT PRO/II APPLICATION BRIEFS
February 1991
The known temperatures and pressures in the process are listed in Table P4.3.
Table P4.3
PROCESS CONDITIONS
Unit Temp (F) Pres (psig) Pres Drop (psi)
E-1 hot outlet 320
-
5
E-1 cold outlet
- -
5
E-2 outlet 295
-
5
E-3 outlet 120
-
5
RX-1 outlet 485
-
10
RX-2 outlet 450
-
10
RX-3 outlet 410
-
15
RC-1 outlet
-
484
-
P-1 outlet
-
615
-
D-1 outlet
- -
31
Exchanger E-1 has 1 shell pass and 2 tubeside passes with an overall heat transfer
coefficient of 110 BTU/hr -ft
2
-F.
The reaction stoichiometry for all three reactors is
C6H6 + 3H2 = C6H12
and the heat of reaction at 77 F is -87000 Btu/lb mole benzene. The conversions
are shown in Table P4.4.
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Table P4.4
REACTOR CONVERSIONS
Reactor Conversion (%)
RX-1 90
RX-2 67
RX-3 97
Methods
and Data
The Grayson-Streed (GS) system is specified for the thermodynamic calculations.
The GS correlation is an extension of the Chao-Seader K-value method, using
experimental data to improve its applicability to hydrogen and methane systems.
This correlation is especially suitable for the simulation of hydrogen rich streams,
such as hydrotreaters and reformers.
Curl-Pitzer enthalpies are used with SRK vapor densities. Liquid densities are
computed using the API method, which provides good results for hydrocarbon
streams containing hydrogen.
Simulation
Model
The simulation model flow sheet shown in Figure P4.2 varies from the actual process
flow diagram in Figure P4.1 by the addition of mixer and splitter units.
Figure P4.2
Simulation Flow Diagram for Cyclohexane Plant
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Mixers are needed to combine the feed and the recycle streams to reactor RX-1 and
the reactor RX-2, effluent with the benzene feed to reactor RX-3.
Splitter units have been added to control splitting of both the cyclohexane and
hydrogen rich products from the separator D-1 and the cyclohexane recycles to
reactors RX-1 and RX-2.
The required amount of hydrogen entering the first reactor is known, and it is set by
a controller which adjusts the rate of the recycle hydrogen stream.
The purge from the hydrogen recycle is calculated with a stream calculator (STCALC)
unit and set by splitter S3. The hydrogen in the purge is calculated as the difference
between the amounts in the feed and main product, less the hydrogen consumed in
the reactors.
Eliminating recycles is always good practice as it minimizes the calculation time. The
loop from the mixer M2 to exchanger E1 is eliminated by referencing stream 7 to
stream 5 and calculating units E1 and E2 after the mixer M2. The SEQUENCE
statement is used to reorder the unit operations and start the calculation at the
cyclohexane recycle splitter, S2. This reduces the recycle loops to four:
- recycle hydrogen (stream 23)
- recycle cyclohexane (stream 18)
- reactor RX-1 feed (stream 7)
- cyclohexane product (stream 17)
Stream 17, the main product, is treated as a recycle stream because it is used in the
STCALC unit to calculate the hydrogen purge rate.
PRO/II has the Wegstein convergence acceleration method for use with simulations
which have large recycle streams.
Two mixer units (not shown in Figure P4.2) are used to sum up the total feed and
product streams for the plant. Because of the reactions, there will not be a molar
balance, but the total weight flows in and out must be equal.
Input Data English units are used except that LIQVOL=BBL changes the default liquid volume
units of ft
3
to barrels. The default pressure units are also changed from psia to psig.
By default, the recycles have converged when no component changes by more than
the tolerance of 1% between trials. When the recycle is largely made up of one
component, as in the hydrogen recycle, a tighter tolerance is required to ensure that
components present in small amounts converge correctly. The TOLERANCE state-
ment in the General Data is used to tighten the stream component tolerance to 0.3%.
The STCALC unit is used to calculate the hydrogen in the purge by difference from
the feeds and products and the amount consumed in the reactors. The FEED
statement specifies the stream labels with the factors which will be applied to each
stream rate. Streams with a factor of 1 are added and those with a factor of -1 are
subtracted. The unit subtracts the product (stream 17) from the feed (stream 4). The
hydrogen consumed in the reactors is the difference between reactor product stream
12 and feed streams 7 and 19. Finally, all components except hydrogen are removed
from the stream calculator product stream, XSH2, using a factor of zero on the
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FOVHD statement. Stream XSH2, created by the stream calculator, contains the
rate of excess hydrogen which must be purged. The purge stream is set by splitter
S3 by reference to stream XSH2.
The lower limit (WEGL) for the Wegstein recycle acceleration is set to -100, rather
than the default of -5. For stable systems, this will speed the convergence consid-
erably but could lead to oscillation and instability for some applications.
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Input Data File:
TITLE PROBLEM=P4,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DESC SIMULATION OF A THREE REACTOR CYCLOHEXANE PLANT
DIMENSION PRES=PSIG,LIQV=BBL
TOLERANCE STREAM=0.003
SEQUENCE S2,M1,CON1,RX1,RX2,M2,E1,E2,RX3,E3,D1,&
BLD1,S1,P1,S3,RC1,FEED,PROD
COMPONENT DATA
LIBID 1,HYDROGEN/2,METHANE/3,BENZENE/4,CH
THERMO DATA
METHODS SYSTEM=GS
STREAM DATA
PROP
STREAM=1,TEMP=100,PRES=540,PHASE=L,COMP=3,100,RATE(LV)=48.4
PROP
STREAM=2,TEMP=100,PRES=540,PHASE=L,COMP=3,100,RATE(LV)=32.1
PROP
STREAM=3,TEMP=100,PRES=540,PHASE=L,COMP=3,100,RATE(LV)=13
PROP STREAM=4,TEMP=100,PRES=540,PHASE=V,&
RATE(GV)=.54E6,COMP=97.25/2.75
PROP STREAM=23,TEMP=150,PRES=484,PHASE=V,&
RATE(GV)=3E6,COMP=90/8/4,2
PROP STREAM=18,TEMP=120,PRES=615,PHASE=L,&
RATE(LV)=225,COMP=.5/1.5/4,98
PROP STREAM=7,TEMP=295,PRES=474,REFSTREAM=5
NAME 1,A6-RX1/2,A6-RX2/3,A6-RX3/4,H2 FEED/&
17,CYCLOHEXANE/18,RC CYCLO/23,RC HYDROGEN/21,VENT GAS
UNIT OPERS DATA
MIXER UID=M1,NAME=FD MIX
FEED 1,4,20,23
PROD M=5
CONT UID=CON1,NAME=RECYCLE RATE
SPEC STREAM=5,COMP=1,RATE,VALUE=7772.5,ATOL=.1
VARY STREAM=23,RATE
HX NAME=FD-EFFL,UID=E1
OPER HTEMP=320
CONFIG TPASS=6,SPASS=1,U=110
HX UID=E2,NAME=FD HEATER
COLD FEED=6,M=7,DP=5
OPER CTEMP=295
UTILITY STEAM,PSAT=300
REACTOR UID=RX1,NAME=REACTOR 1
FEED 7
PROD V=8
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OPER PHASE=V,DP=10,TEMP=485
RXCALC CONV,REFPHASE=V,REFTEMP=77
STOI 1,-3/3,-1/4,1
CONV 0.90
BASE COMPONENT=3,HEAT=-87
FEED 2,8,19
PROD V=9
STOI 1,-3/3,-1/4,1
CONV 0.67
MIXER UID=M2,NAME=RX 3 FD
FEED 9,3
PROD M=10
FEED 11
PROD V=12
STOI 1,-3/3,-1/4,1
CONV 0.97
HX NAME=COOLER,UID=E3
OPER HTEMP=120
FLASH NAME=SEPARATOR,UID=D1
FEED 13
PROD V=14,L=15
ADIA DP=31
SPLITTER NAME=CH SPLIT,UID=S1
FEED 15
PROD L=16,L=17
SPEC STREAM=16,RATE(LV),RA-
TIO,STREAM=15,RATE(LV),VALUE=.65
PUMP NAME=PUMP,UID=P1
FEED 16
PROD L=18
OPER PRES=615
SPLITTER UID=S2,NAME=CH SPLIT
FEED 18
PROD L=19,L=20
SPEC STREAM=20,RATE(LV),RA-
TIO,STREAM=16,RATE(LV),VALUE=0.4
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Results The recycle converges with a hydrogen recycle rate of 7326 lb mole/hr. This
compares with a hydrogen feed to the process of 1423 lb mole/hr. The vent gas rate
is 308 lb mole/hr.
The work required by the recycle compressor to increase the pressure by 86 psi is
881HP.
The flow sheet solves using the default substitution convergence method, but
Wegstein acceleration makes a considerable difference to the speed. With no
acceleration, 36 trials are required, and with the default value for WEGL, 23 are
required. Reducing WEGL to -100 brings this down to 9 trials.
Output PRO/II establishes the number of recycles and identifies the recycle streams. These
are shown on the Calculation Sequence and Recycle output.
The compressor details were required and so the output is shown. The reactor
results are also presented.
The final page of the stream summary shows the total feed (31) and product (32).
The mass flow rates are the same within the recycle tolerance.

STCALC UID=BLD1
FEED 4,1/12,1/7,-1/17,-1/19,-1
OVHD STREAM=XSH2
BTMS STREAM=DUM1
FOVHD 1,1.0/2,4,0.0
SPLITTER UID=S3,NAME=H2 VENT
FEED 14
PROD V=21,V=22
SPEC STREAM=21,COMP=1,RATE,RA-
TIO,STREAM=XSH2,COMP=1,RATE,VALUE=1
COMPRESSOR NAME=REC COMP,UID=RC1
FEED 22
PROD V=23
OPER PRES=484,EFF=75
MIXER UID=FEED,NAME=TOTAL FEED
FEED 1,4,2,3
PROD M=31
MIXER UID=PROD,NAME=TOTAL PROD
FEED 17,21
PROD M=32
RECYCLE DATA
ACCE TYPE=WEGS,WEGL=-100,START=3
END
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CALCULATION SEQUENCE AND RECYCLES

CALCULATION SEQUENCE
1. UNIT 1, S2 2. UNIT 2, M1 3. UNIT 3, CON1
4. UNIT 4, RX1 5. UNIT 5, RX2 6. UNIT 6, M2
7. UNIT 7, E1 8. UNIT 8, E2 9. UNIT 9, RX3
10. UNIT 10, E3 11. UNIT 11, D1 12. UNIT 12, BLD1
13. UNIT 13, S1 14. UNIT 14, P1 15. UNIT 15, S3
16. UNIT 16, RC1 17. UNIT 17, FEED 18. UNIT 18, PROD
RECYCLE LOOPS
LOOP 1 STARTS AT UNIT 1, S2 AND ENDS AT UNIT 16, RC1
RECYCLE STREAMS
STREAM FROM UNIT TO UNIT LOOP
- -
7 8,E2 4,RX1 1
17 13,S1 12,BLD1 1
18 14,P1 1,S2 1
23 16,RC1 2,M1 1
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COMPRESSOR OUTPUT

UNIT 16, RC1, REC COMP
FEEDS 22

PRODUCTS VAPOR 23
- - -
TEMPERATURE, F 119.27 150.02 160.10
PRESSURE, PSIG 398.00 484.00 484.00
ENTHALPY, MM BTU/HR -8.5082 -6.8254 -6.2644
CP, BTU/LB-MOL-F 7.5266 7.6128
CV, BTU/LB-MOL-F 5.4546 5.5353
CP/(CP-R) 1.3584 1.3529
CP/CV 1.3799 1.3753
HEAD, FT
ADIABATIC 36282.14
POLYTROPIC 37160.66
ACTUAL 48376.18
WORK, HP
THEORETICAL 661.40
POLYTROPIC 677.41
ACTUAL 881.86
CALCULATED FROM TEMPERATURE EQUATION.
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REACTOR RX-1 RESULTS

UNIT 4, RX1, REACTOR 1


REACTOR TYPE ISOTHERMAL REACTOR
TOTAL HEAT OF REACTION AT 77.00 F, MM BTU/HR -15.1109

INLET OUTLET
- -
FEED 7
VAPOR PRODUCT 8
PRESSURE, PSIG 473.9999 464.0000

REACTION DATA

- RATES, LB-MOL/HR - FRACTION
COMPONENT FEED CHANGE PRODUCT CONVERTED
- - - -
1 HYDROGEN 7772.4434 -521.0659 7251.3774 0.0670
2 METHANE 865.3080 0.0000 865.3079
3 BENZENE 192.9872 -173.6885 19.2987 0.9000
4 CH 389.7939 173.6886 563.4825

TOTAL 9220.5332 -521.0664 8699.4668

LB-MOL/HR FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED
- - -
3 BENZENE 1 173.6885 0.9000

REACTOR MASS BALANCE

- RATES, LB/HR - FRACTION
- - - -
1 HYDROGEN 1.567E+04 -1050.4688 1.462E+04 0.0670
2 METHANE 1.388E+04 0.0000 1.388E+04
3 BENZENE 1.508E+04 -1.357E+04 1507.5193 0.9000
4 CH 3.281E+04 1.462E+04 4.742E+04

TOTAL 7.743E+04 0.0000 7.743E+04
P
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February 1991




INLET OUTLET
- -
FEED 2
8
19
VAPOR PRODUCT 9
PRESSURE, PSIG 464.0000 454.0000

REACTION DATA

- - - -
1 HYDROGEN 7257.5010 -296.7803 6960.7207 0.0409
2 METHANE 870.5833 0.0000 870.5833
3 BENZENE 147.6519 -98.9268 48.7251 0.6700
4 CH 970.0803 98.9268 1069.0071

TOTAL 9245.8174 -296.7813 8949.0361

LB-MOL/HR FRACTION
- - -
3 BENZENE 1 98.9268 0.6700


- - - -
1 HYDROGEN 1.463E+04 -598.3086 1.403E+04 0.0409
2 METHANE 1.397E+04 0.0000 1.397E+04
3 BENZENE 1.153E+04 -7727.6675 3806.1638 0.6700
4 CH 8.164E+04 8325.9688 8.997E+04

TOTAL 1.218E+05 0.0000 1.218E+05
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February 1991



INLET OUTLET
- -
FEED 11
VAPOR PRODUCT 12
PRESSURE, PSIG 449.0000 434.0000

REACTION DATA

- - - -
1 HYDROGEN 6960.7212 -291.8315 6668.8896 0.0419
2 METHANE 870.5833 0.0000 870.5832
3 BENZENE 100.2856 -97.2770 3.0086 0.9700
4 CH 1069.0072 97.2769 1166.2841

TOTAL 9000.5977 -291.8320 8708.7656

LB-MOL/HR FRACTION
- - -
3 BENZENE 1 97.2770 0.9700


- - - -
1 HYDROGEN 1.403E+04 -588.3330 1.344E+04 0.0419
2 METHANE 1.397E+04 0.0000 1.397E+04
3 BENZENE 7833.8062 -7598.7920 235.0140 0.9700
4 CH 8.997E+04 8187.1172 9.816E+04

TOTAL 1.258E+05 0.0000 1.258E+05
P
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February 1991
STREAM SUMMARY

STREAM ID 23 31 32
NAME RC HYDROGEN
PHASE VAPOR MIXED MIXED

- TOTAL STREAM -
RATE, LB-MOL/HR 7325.979 1793.835 684.380
M LB/HR 36.082 32.386 32.390
STD LIQ RATE, BBL/HR 687.217 213.296 142.285
TEMPERATURE, F 160.101 91.993 119.267
PRESSURE, PSIG 484.000 540.000 398.000
ENTHALPY, MM BTU/HR -6.264 -1.662 0.878
BTU/LB -173.616 -51.317 27.095
MOLE FRACTION LIQUID 0.0000 0.2041 0.5495
REDUCED TEMP (KAYS RULE) 5.8003 2.0975 0.9921
PRES (KAYS RULE) 2.0073 1.8049 0.9509
ACENTRIC FACTOR -0.1871 -0.1263 0.0263
WATSON K (UOPK) 27.112 13.159 11.769
STD LIQ DENSITY, LB/BBL 52.504 151.835 227.643
SPECIFIC GRAVITY 0.1499 0.4336 0.6501
API GRAVITY 812.193 194.828 86.156

VAPOR -
RATE, LB-MOL/HR 7325.979 1427.772 308.316
M LB/HR 36.082 4.167 1.519
M FT3/HR 99.084 15.532 4.694
STD VAP RATE(1), M FT3/HR 2780.068 541.812 117.000
SPECIFIC GRAVITY (AIR=1.0) 0.170 0.101 0.170
Z (FROM K) 1.0163 1.0222 1.0135
ENTHALPY, BTU/LB -173.616 -595.971 -235.805
CP, BTU/LB-F 1.545 2.416 1.527
DENSITY, LB/M FT3 364.151 268.249 323.515

LIQUID
RATE, LB-MOL/HR N/A 366.063 376.065
M LB/HR N/A 28.219 30.872
BBL/HR N/A 92.945 117.408
GAL/MIN N/A 65.061 82.186
STD LIQ RATE, BBL/HR N/A 91.494 113.363
SPECIFIC GRAVITY (H2O=1.0) N/A 0.8808 0.7777
MOLECULAR WEIGHT N/A 77.088 82.091
Z (FROM K) N/A 0.0000 0.0000
ENTHALPY, BTU/LB N/A 29.100 40.027
CP, BTU/LB-F N/A 0.379 0.448
DENSITY, LB/BBL N/A 303.614 262.942

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February 1991
NAPHTHALENE RECOVERY
A three column distillation scheme to produce a 97% by weight pure naphtalene
stream has been proposed. The first column removes anthracene as the bottoms
product, and 1,2,4 methyl benzene is separated out as the overhead in the second..
A small loss of naphthalene is allowed in this column. The final column produces
high purity naphthalene.
You have to design the columns to meet these product purity specifications.
Process
Data
The flow sheet is shown in Figure P5.1. All the columns operate at 780 psia with
condensers at 760 psia. The feed composition is shown in Table P5.1, and the
required product recoveries and purities are listed in Table P5.2.
Figure P5.1
Naphthalene Recovery Flow Sheet
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PRO/II APPLICATION BRIEFS NAPHTHALENE RECOVERY P5-1
February 1991
Table P5.1
Component kg/hr Component kg/hr
123-Methyl Benz 376.0 Diphenyl 62.3
Indene 101.0 23-Dimethyl Naph 78.9
m-Cresol 5.5 2-Mnaphth 55.9
24-Xylnol 9.6 Acet Naph 72.1
Dodecane 13.2 DiBenzoF 90.6
23-Xylnol 5.1 Fluorene 110.5
Naphthalene 2266.0 Anthracene 213.0
Temperature (F)
100.0
Pressure (psia)
780.0
Table P5.2
Column Specifications
First Column
99.3% Recovery of Naphthalene in overhead
99.5% Recovery of Anthracene in bottoms
Second Column
1% Loss of 1,2,4 Methyl Benzene in bottoms
15% Weight purity of Naphthalene in overhead
Third Column
97% Weight purity of Naphthalene in overhead
0.25% Loss of Naphthalene in bottoms
Methods
and Data
Not all of the required components are available in the SimSci Data Library. However,
the molecular weights, gravities, and boiling points of the missing components are
known and are entered using the PETRO option. PRO/II uses this information to
estimate all the other properties required in the simulation.
Grayson-Streed K-values are recommended for applications with this type of com-
ponent. Lee-Kesler is used for enthalpies and densities.
Simulation
Model
The first step is to establish the number of stages and the feed tray locations using
shortcut models for the columns. The shortcut uses the Fenske method to calculate
the minimum trays at total reflux for the specified products.
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P5-2 NAPHTHALENE RECOVERY PRO/II APPLICATION BRIEFS
February 1991
Input Data
(Shortcut)
Metric units are defined with the pressure changed to millimeters of mercury (mmHg)
from the default of kg/cm
2
. The default for the gravity of the PETRO components is
kg/m
3
in metric units. The XDEN=SPGR entry indicates to PRO/II that specific gravity
data are supplied instead.
The shortcut models are defined as conventional columns with partial condensers.
The light and heavy key components are specified for the feed tray and reflux ratio
calculations for each shortcut column.
The specifications are the purities and recoveries listed in Table P5.2 above.
Input Data File:
TITLE PROBLEM=P5S,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DESC NAPTHELENE SPARATION (SHORTCUT SIMULATION)
DIME METRIC, PRES=MMHG, XDEN=SPGR
COMP DATA
LIBID 1,124MBENZ/2,INDENE/3,MCRESOL/4,24XYLNOL/&
5,DODECANE/6,23XYLNOL/7,NAPHTHLN/&
10,2MNAPHTH/14,ANTHRCEN
PETRO 8,DIPHENYL ,154.2,1.0076,254.6 /&
9,23DIMHAPH ,156.2,1.0407,268.0 /&
11,ACENAPH ,154.2,1.0930,279.8 /&
12,DIBENZOF ,168.2,0.9947,274.6 /&
13,FLUORENE ,166.2,1.0762,297.33
THERMO DATA
METHODS KVALUE=GS,ENTHALPY=LK,DENSITY(L)=LK
STREAM DATA
PROP STREAM=F100,TEMP=100,PRES=780, &
COMP(W)=376/101/5.5/9.6/13.2/5.1/2266/&
62.3/78.9/55.9/72.1/90.6/110.5/213
UNIT OPS DATA
SHORT UID=SC1
PROD STREAM=2,PRES=760,PHAS=V,RATE=25
PROD STREAM=3,PRES=780,PHAS=L
EVAL MODEL=CONV,KEYL=7,KEYH=14
SPEC STREAM=2,COMP=7,RATE,RATIO,REFFEED,VALUE=0.993
FEED F100
COND TYPE=PARTIAL
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February 1991
SHORT UID=SC2
FEED 2
COND TYPE=PARTIAL
SPEC STREAM=4,COMP=7,FRAC(W),VALUE=0.15
SHORT UID=SC3
FEED 5
COND TYPE=PARTIAL
END
Output
(Shortcut)
Selected results are shown for each shortcut column. Feed tray location, number of
theoretical stages, reflux ratios, condenser and reboiler duties have been calculated
for a variety of operating points. The number of trays used in the rigorous model will
be twice the minimum.

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February 1991
SHORTCUT COLUMN SC1

UNIT 1, SC1

FEEDS
STREAM PHASE
------------ ------------
F100 LIQUID
PRODUCTS
KG-MOL/HR KG/HR M3/HR TRAYS
------------ ------------ --------------------------------------------------------------------------------- ------------- ---------
2 VAPOR 23.62 3043.74 3.04 1 3.68
3 LIQUID 2.47 415.96 0.37
TOTALS 26.09 3459.70 3.40 3.68

SPECIFICATIONS

----------------- ------------- ------------------------- -------------------- --------------------
STRM 2 7 MOL RATIO 9.930E-01 9.937E-01
STRM 3 14 MOL RATIO 9.950E-01 9.901E-01

SUMMARY OF UNDERWOOD CALCULATIONS
MINIMUM REFLUX RATIO 0.06740
FEED CONDITION Q 1.62208
FENSKE MINIMUM TRAYS 3.67542

THEORETICAL TRAYS 2.00 * M-MINIMUM
TOTAL FEED R/R-MIN M/M-MIN REFLUX DUTY, M*KCAL/HR
TRAYS TRAY RATIO CONDENSER REBOILER
--------- -------- ------------- ------------- ------------ -------------------- --------------------
6 4 14.286 1.500 0.963 -2.746E-01 7.349E-01
6 4 7.816 1.750 0.527 -1.508E-01 6.111E-01
7 5 5.094 2.000 0.343 -9.854E-02 5.588E-01
8 6 3.659 2.250 0.247 -7.090E-02 5.312E-01
9 6 2.628 2.500 0.177 -5.101E-02 5.113E-01
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February 1991
SHORTCUT COLUMN SC2

UNIT 2, SC2

FEEDS
STREAM PHASE
------------ ------------
2 VAPOR
PRODUCTS
------------ ------------ --------------------------------------------------------------------------------- ------------- ---------
4 VAPOR 4.63 562.17 0.62 1 6.85
5 LIQUID 18.99 2481.57 2.42
TOTALS 23.62 3043.74 3.04 6.85

SPECIFICATIONS

----------------- ------------- ------------------------- -------------------- --------------------
STRM 5 1 MOL RATIO 1.000E-02 1.006E-02
STRM 4 7 WT FRACTION 1.500E-01 1.501E-01


--------- -------- ------------- ------------- ------------ -------------------- --------------------
10 2 1.831 1.500 11.778 -5.596E-01 3.514E-01
12 3 1.401 1.750 9.012 -4.282E-01 2.200E-01
14 3 1.248 2.000 8.027 -3.814E-01 1.732E-01
15 4 1.150 2.250 7.395 -3.514E-01 1.432E-01
17 4 1.080 2.500 6.945 -3.300E-01 1.218E-01
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February 1991
SHORTCUT COLUMN SC3
UNIT 3, SC3

FEEDS
STREAM PHASE
------------ ------------
5 LIQUID
PRODUCTS
------------ ------------ --------------------------------------------------------------------------------- ------------- ---------
6 VAPOR 17.38 2228.70 2.18 1 10.92
7 LIQUID 1.61 252.87 0.25
TOTALS 18.99 2481.57 2.42 10.92

SPECIFICATIONS

----------------- ------------- ------------------------- -------------------- --------------------
STRM 6 7 WT FRACTION 9.700E-01 9.700E-01
STRM 7 7 MOL RATIO 2.500E-03 2.496E-03


--------- -------- ------------- ------------- ------------ -------------------- --------------------
16 9 2.541 1.500 1.941 -3.502E-01 5.319E-01
19 10 1.737 1.750 1.326 -2.394E-01 4.211E-01
22 12 1.451 2.000 1.108 -1.999E-01 3.816E-01
25 13 1.260 2.250 0.962 -1.737E-01 3.554E-01
27 15 1.125 2.500 0.859 -1.550E-01 3.367E-01
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February 1991
STREAM ID F100 2 3 4
NAME
PHASE LIQUID VAPOR LIQUID VAPOR

1 124MBENZ 3.1282 3.1280 2.6470E-04 3.0965
2 INDENE 0.8695 0.8691 3.9554E-04 0.7607
3 MCRESOL 0.0509 0.0508 4.5951E-05 0.0348
4 24XYLNOL 0.0786 0.0783 2.5124E-04 0.0058
5 DODECANE 0.0775 0.0775 5.5597E-06 0.0738
6 23XYLNOL 0.0417 0.0415 2.2760E-04 0.0013
7 NAPHTHLN 17.6790 17.5668 0.1121 0.6582
8 DIPHENYL 0.4040 0.3641 0.0400 2.5328E-05
9 23DIMHAPH 0.5051 0.3644 0.1408 2.4971E-06
10 2MNAPHTH 0.3931 0.3790 0.0141 3.5346E-04
11 ACENAPH 0.4676 0.2212 0.2464 2.4970E-07
12 DIBENZOF 0.5386 0.3594 0.1793 1.0060E-06
13 FLUORENE 0.6649 0.1098 0.5550 5.3344E-09
14 ANTHRCEN 1.1951 0.0118 1.1833 3.6284E-12


TEMPERATURE, C 100.0000 221.9404 297.8861 182.8768
PRESSURE, MM HG 780.0000 760.0000 780.0000 760.0000
MOLE FRAC VAPOR 0.0000 1.0000 0.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0000 1.0000 0.0000

STREAM ID 5 6 7
NAME
PHASE LIQUID VAPOR LIQUID

1 124MBENZ 0.0315 0.0315 3.0631E-10
2 INDENE 0.1084 0.1084 9.1633E-08
3 MCRESOL 0.0160 0.0160 7.0235E-08
4 24XYLNOL 0.0725 0.0725 3.5057E-05
5 DODECANE 0.0037 0.0037 1.5261E-10
6 23XYLNOL 0.0402 0.0401 8.9228E-05
7 NAPHTHLN 16.9086 16.8664 0.0422
8 DIPHENYL 0.3640 0.0131 0.3509
9 23DIMHAPH 0.3643 3.5458E-04 0.3640
10 2MNAPHTH 0.3786 0.2268 0.1518
11 ACENAPH 0.2212 1.1660E-05 0.2212
12 DIBENZOF 0.3594 1.0687E-04 0.3593
13 FLUORENE 0.1098 4.9199E-08 0.1098
14 ANTHRCEN 0.0118 1.2802E-12 0.0118
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February 1991
Input Data
(Rigorous)
The shortcut models are replaced with rigorous column simulations. Simple initial
estimates use values taken from the shortcut results.
The specifications are exactly the same as used in the shortcut simulation. The
condenser and reboiler duties are varied to meet the specifications.
Input Data File:

TEMPERATURE, C 222.6935 219.2681 267.8225
PRESSURE, MM HG 780.0000 760.0000 780.0000
ENTHALPY, M*KCAL/HR 0.2266 0.3896 0.0187
MOLE FRAC VAPOR 0.0000 1.0000 0.0000
MOLE FRAC LIQUID 1.0000 0.0000 1.0000
TITLE PROBLEM=P5R,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT
90
DESC NAPHTHELENE SEPARATION
DIME METRIC,PRES=MMHG,XDEN=SPGR
COMPONENT DATA
LIBID 1,124MBENZ/2,INDENE/3,MCRESOL/4,24XYLNOL/&
5,DODECANE/6,23XYLNOL/7,NAPHTHLN/&
10,2MNAPHTH/14,ANTHRCEN
PETRO 8,DIPHENYL ,154.2,1.0076,254.6 /&
9,23DIMHAPH ,156.2,1.0407,268.0 /&
11,ACENAPH ,154.2,1.0930,279.8 /&
12,DIBENZOF ,168.2,0.9947,274.6 /&
13,FLUORENE ,166.2,1.0762,297.33
THERMODYNAMIC DATA
METHODS KVALUE=GS,ENTHALPY=LK,DENSITY(L)=LK
STREAM DATA
PROP STREAM=F100,TEMP=100,PRES=780,&
COMP(W)=376/101/5.5/9.6/13.2/5.1/2266/&
62.3/78.9/55.9/72.1/90.6/110.5/213
UNIT OPERATIONS
COLUMN UID=C1
PARAM TRAY=7
FEED F100,5
COND TYPE=PARTIAL,PRESS=760
PROD OVHD=2,23.6,BTMS=3
HEAT 1,1/2,7
VARY HEAT=1,2
PSPEC TOP=780
ESTI CTEMP=222,RTEMP=298,RRATIO=0.34
SPEC STREAM=2,RATE,COMP=7,RATIO,REFFEED,VALUE=0.993
SPEC STREAM=3,RATE,COMP=14,RATIO,REFFEED,VALUE=0.995
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February 1991
Output
(Rigorous)
The results for column C3 are shown here. The molar component flow rates are also
presented for all the streams.
COLUMN UID=C2
PARAM TRAY=14
FEED 2,3
PROD OVHD=4,4.6,BTMS=5
HEAT 1,1/2,14
VARY HEAT=1,2
PSPEC TOP=780
ESTI CTEMP=183,RTEMP=223,RRATIO=8
COLUMN UID=C3
PARAM TRAY=22
FEED 5,12
HEAT 1,1/2,22
VARY HEAT=1,2
PSPEC TOP=780
ESTI CTEMP=219,RTEMP=268,RRATIO=1.1
END
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February 1991
COLUMN SUMMARY FOR C3
UNIT 3, C3


IN/OUT METHOD 3

COLUMN SUMMARY

------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- ------------------------
1 218.5 760.00 45.4 17.4V -0.4738
2 220.0 780.00 45.7 62.8
3 220.1 780.00 45.7 63.2
4 220.2 780.00 45.7 63.2
5 220.3 780.00 45.7 63.2
6 220.4 780.00 45.6 63.1
7 220.5 780.00 45.6 63.1
8 220.7 780.00 45.5 63.0
9 220.9 780.00 45.5 63.0
10 221.2 780.00 45.3 62.9
11 221.8 780.00 45.0 62.8
12 222.8 780.00 64.3 62.4 19.5L
13 223.8 780.00 64.0 62.3
14 225.2 780.00 63.5 61.9
15 227.4 780.00 62.7 61.4
16 230.5 780.00 61.7 60.7
17 234.9 780.00 60.6 59.7
18 240.4 780.00 59.3 58.5
19 246.8 780.00 58.1 57.2
20 253.6 780.00 57.1 56.1
21 260.2 780.00 56.2 55.0
22 266.6 780.00 54.2 2.1L 0.6569


------------- ------------ ------------ -------- -------- ---------------- ------------------------ ------------------------
FEED 5 LIQUID 12 1.0000 19.52 0.2310
PRODUCT 6 VAPOR 1 17.45 0.3896


SPECIFICATIONS

----------------- -------- ------------ ------------------------- -------------------- --------------------
STRM 7 22 7 MOL RATIO 2.500E-03 2.498E-03
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STREAM ID F100 2 3 4
NAME
PHASE LIQUID VAPOR LIQUID VAPOR

1 124MBENZ 3.1282 3.1275 7.1806E-04 3.0965
2 INDENE 0.8695 0.8687 7.9001E-04 0.5525
3 MCRESOL 0.0509 0.0508 6.5145E-05 0.0186
4 24XYLNOL 0.0786 0.0783 2.5775E-04 0.0033
5 DODECANE 0.0775 0.0775 1.2580E-05 0.0616
6 23XYLNOL 0.0417 0.0415 2.2042E-04 0.0011
7 NAPHTHLN 17.6790 17.5552 0.1238 0.6193
8 DIPHENYL 0.4040 0.3797 0.0244 4.6345E-04
9 23DIMHAPH 0.5051 0.4208 0.0843 1.8504E-04
10 2MNAPHTH 0.3931 0.3823 0.0108 0.0019
11 ACENAPH 0.4676 0.2988 0.1687 6.3864E-05
12 DIBENZOF 0.5386 0.4287 0.1099 1.0601E-04
13 FLUORENE 0.6649 0.1578 0.5071 7.4066E-06
14 ANTHRCEN 1.1951 0.0060 1.1891 3.7652E-08


TEMPERATURE, C 100.0000 223.3449 300.0749 182.5049
PRESSURE, MM HG 780.0000 760.0000 780.0000 760.0000
MOLE FRAC VAPOR 0.0000 1.0000 0.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0000 1.0000 0.0000

STREAM ID 5 6 7
NAME
PHASE LIQUID VAPOR LIQUID

1 124MBENZ 0.0310 0.0310 1.8394E-10
2 INDENE 0.3161 0.3161 1.5910E-07
3 MCRESOL 0.0322 0.0322 4.4099E-08
4 24XYLNOL 0.0750 0.0750 1.9549E-05
5 DODECANE 0.0159 0.0159 5.4217E-10
6 23XYLNOL 0.0404 0.0403 6.7556E-05
7 NAPHTHLN 16.9359 16.8935 0.0423
8 DIPHENYL 0.3792 2.0626E-04 0.3790
9 23DIMHAPH 0.4206 2.8338E-06 0.4206
10 2MNAPHTH 0.3804 0.0436 0.3368
11 ACENAPH 0.2988 6.9445E-08 0.2988
12 DIBENZOF 0.4286 7.8502E-07 0.4286
13 FLUORENE 0.1578 1.7214E-10 0.1578
14 ANTHRCEN 0.0060 5.9511E-16 0.0060

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TEMPERATURE, C 222.4521 218.5280 266.5569
PRESSURE, MM HG 780.0000 760.0000 780.0000
MOLE FRAC VAPOR 0.0000 1.0000 0.0000
MOLE FRAC LIQUID 1.0000 0.0000 1.0000
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February 1991
MTBE SEPARATION
An existing distillation column recovers MTBE (methyl tertiary-butyl ether) from a
feed stream containing mainly C4 components. You have been asked to investigate
the possibility of increasing the MTBE recovery to 99.8% and establish what purity
this corresponds to.
The column operates with a bubble point condenser and hydraulic factors limit the
overhead reflux ratio to 0.8.
Process
Data
The flow sheet is shown in Figure P6.1. The feed stream is given in Table P6.1.
Figure P6.1
MTBE Separation Flow Sheet
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PRO/II APPLICATION BRIEFS MTBE SEPARATION P6-1
February 1991

Table P6.1
Propylene 116.61
2-butene(trans)
400.54
Propane 88.26
2-butene(cis)
267.96
l-butane 978.17
Methanol
142.07
l-butene 8.75
l-pentane
33.07
1-butene 343.78
MTBE
321.76
1,3-butadiene 6.02
Tert-butanol
0.55
N-butane 433.77
MTAE
2.17
Temperature (F)
160.0
Pressure (psia)
116.0
Methods
and Data
The recovery of MTBE from a C4 mixture is a non-ideal separation, and equations
of state will not give good results for the equilibrium calculations. Instead, the
UNIFAC method is selected. This method generates interaction parameters for the
UNIQUAC equation based on the structural groups in the component molecules. All
the necessary data for the groups in this simulation are stored in the PRO/II databank.
Vapor phase fugacities are calculated with the Soave-Redlich-Kwong equation, and
the Poynting correction is applied to the liquid fugacities. The default ideal enthalpies
and densities are used.
Simulation
Model
The conventional column model is used for this simulation. As no solution method
is specified, the default IO method is used.
The feed is flashed into the column and some vapor is produced. The SEPARATE
option specifies that the vapor portion is fed to the tray above the feed tray. The
default would put the liquid on top of the feed tray and the vapor beneath it.
The column specifications are the MTBE recovery in the bottom product and the
reflux ratio limit of 0.8. The default tolerance on a specification is 1%. This is clearly
too loose for the recovery specification, and so an absolute tolerance of 0.0001 is
defined. The reboiler and condenser duties are varied to meet the specifications.
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P6-2 MTBE SEPARATION PRO/II APPLICATION BRIEFS
February 1991
Input Data The default English dimensional units are used throughout this simulation. As we
are interested in the product purity, component percentage printout is requested.
Input Data File:
Results The column solves with the 99.8% MTBE recovery at the limiting reflux ratio of 0.8.
The condenser and reboiler duties are -43.7 and 43.2 MM Btu/hr respectively. The
bottom product is 99.3% pure MTBE.
Conclusions The simulation shows that the column can meet the new service as long as the duties
can be met, and an MTBE purity of 99.3% is acceptable.
Output The column summary is presented together with the stream component flow rates
and compositions.
TITLE PROBLEM=P6,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DESC MTBE RECOVERY COLUMN
PRINT PERCENTAGE
COMPONENT DATA
LIBID 1,PRLN/2,C3/3,IC4/4,IBTE/5,BUT1/&
6,13BD/7,NC4/8,BTT2/9,BTC2/10,MEOH/&
11,IC5/12,MTBE/13,TBA/14,MTAE
THERMODYNAMIC DATA
METHOD SYSTEM=UNIFAC,PHI=SRK
KVALUE POYNTING=YES
STREAM DATA
PROP STREAM=1,TEMP=160,PRES=150,RATE=3143.48, &
COMP=1,116.6/2,88.26/3,978.2/4,8.75/ &
5,343.8/6,6.02/7,433.8/8,400.5/ &
9,268/10,142.1/11,33.07/12,321.8/ &
13,0.55/14,2.17
UNIT OPERATIONS
COLUMN UID=C1,NAME=MTBE
PARAM TRAY=34
FEED 1,15,SEPARATE
COND TYPE=BUBBLE,PRESS=116
HEAT 1,1,-50/2,34,50
SPEC COLUMN=C1,RRATIO,VALUE=0.8
SPEC STREAM=3,RATE,COMP=12,RATIO, &
REFFEED,VALUE=0.998,ATOL=0.0001
VARY HEAT=1,2
END
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MTBE COLUMN SUMMARY

UNIT 1, C1, MTBE


IN/OUT METHOD 6

COLUMN SUMMARY

- - -
1 133.3 116.00 2256.1 2820.2L -43.7255
2 144.5 121.00 2286.3 5076.3
3 147.9 121.47 2284.6 5106.4
4 149.9 121.94 2277.3 5104.8
5 151.4 122.41 2267.9 5097.5
6 152.8 122.88 2257.0 5088.1
7 154.2 123.34 2244.1 5077.2
8 155.7 123.81 2227.8 5064.2
9 157.4 124.28 2206.5 5047.9
10 159.4 124.75 2178.1 5026.6
11 161.8 125.22 2140.8 4998.3
12 164.8 125.69 2093.6 4961.0
13 168.6 126.16 2038.5 4913.8
14 173.0 126.63 1981.3 4858.7 161.4V
15 178.7 127.09 4657.8 4640.1 2982.1L
16 210.2 127.56 4482.1 4334.5
17 244.0 128.03 4601.2 4158.8
18 267.0 128.50 4801.4 4277.9
19 278.6 128.97 4923.7 4478.1
20 283.8 129.44 4982.6 4600.4
21 286.1 129.91 5011.0 4659.3
22 287.3 130.38 5025.9 4687.7
23 288.0 130.84 5035.2 4702.6
24 288.5 131.31 5042.2 4711.9
25 288.9 131.78 5048.1 4718.9
26 289.3 132.25 5053.6 4724.8
27 289.6 132.72 5058.8 4730.2
28 289.9 133.19 5063.9 4735.5
29 290.3 133.66 5068.9 4740.6
30 290.6 134.13 5073.7 4745.5
31 291.0 134.59 5078.4 4750.4
32 291.4 135.06 5082.8 4755.1
33 291.8 135.53 5086.5 4759.4
34 292.2 136.00 4763.2 323.3L 43.2008
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February 1991
MTBE COLUMN SUMMARY (Cont)

UNIT 1, C1, MTBE (CONT)


-
FEED 1 MIXED 15 0.9487 3143.48 13.6652
PRODUCT 2 LIQUID 1 2820.16 9.0132
PRODUCT 3 LIQUID 34 323.32 4.1282


SPECIFICATIONS

- -
UNIT C1 1 RRATIO 8.000E-01 8.000E-01
STRM 3 34 12 MOL RATIO 9.980E-01 9.980E-01
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STREAM ID 1 2 3
NAME

1 PRLN 116.5948 116.5948 7.1153E-13
2 C3 88.2561 88.2561 1.0883E-12
3 IC4 978.1564 978.1561 4.9543E-08
4 IBTE 8.7496 8.7496 2.5078E-09
5 BUT1 343.7847 343.7846 1.5041E-07
6 13BD 6.0197 6.0197 7.3106E-10
7 NC4 433.7806 433.7804 3.6149E-07
8 BTT2 400.4821 400.4819 1.4289E-06
9 BTC2 267.9881 267.9879 1.8478E-06
10 MEOH 142.0937 142.0936 4.4391E-08
11 IC5 33.0685 33.0680 4.1727E-04
12 MTBE 321.7857 0.6409 321.1431
13 TBA 0.5500 0.5473 0.0027
14 MTAE 2.1699 7.5126E-09 2.1699


TEMPERATURE, F 160.0000 133.3341 292.2159
PRESSURE, PSIA 150.0000 116.0000 136.0000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000
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STREAM COMPONENT COMPOSITIONS

STREAM ID 1 2 3
NAME

FLUID MOLAR PERCENTS
1 PRLN 3.7091 4.1343 2.2007E-13
2 C3 2.8076 3.1295 3.3662E-13
3 IC4 31.1170 34.6844 1.5323E-08
4 IBTE 0.2783 0.3103 7.7564E-10
5 BUT1 10.9364 12.1902 4.6520E-08
6 13BD 0.1915 0.2135 2.2611E-10
7 NC4 13.7994 15.3814 1.1181E-07
8 BTT2 12.7401 14.2007 4.4194E-07
9 BTC2 8.5252 9.5026 5.7150E-07
10 MEOH 4.5203 5.0385 1.3730E-08
11 IC5 1.0520 1.1726 1.2906E-04
12 MTBE 10.2366 0.0227 99.3279
13 TBA 0.0175 0.0194 8.2019E-04
14 MTAE 0.0690 2.6639E-10 0.6711


TEMPERATURE, F 160.0000 133.3341 292.2159
PRESSURE, PSIA 150.0000 116.0000 136.0000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000
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February 1991
PROPYLENE
CHLORINATION
Your propylene chlorination plant reacts chlorine with propylene to produce allyl
chloride (3-chloropropene), 1,2-dichloropropane, and 1,3-dichloropropene. The
reaction takes place in a continuous stirred tank reactor and the resulting products
are separated in a fractionation section downstream of the reactor. Most of the
unreacted propylene is recycled back to the reactor. You wish to develop a model
of this plant to determine the product rates for a proposed increase in the propylene
feed stream rate.
Process
Data
The process flowsheet for the propylene chlorination plant is shown below in Figure
P7.1. The system consists of the reactor, main separator, hydrochloric acid
scrubber, allyl chloride column, propylene recycle drier and compressor, and the
associated pump and heat exchangers. Plant feeds include propylene and chlorine.
Figure P7.1
Propylene Chlorination Plant Flowsheet
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PRO/II APPLICATION BRIEFS PROPYLENE CHLORINATION P7-1
February 1992
The simulation data given in Table P7.1 is specified based on the proposed feed
stream rates and conditions and operating data obtained from a recent plant test.
Table P7.1
Process Information
Feeds Propylene Chlorine
lbmole/hr 100.00 113.88
Temperature (F) 60.0 80.0
Pressure (psia) 200.0 100.0
Units Pressure psia
Temperature
Deg F
Propylene Compressor 88.8 ----
Reactor 73.5 800.0
Reactor-Aftercooler ---- 50.0
Allyl Chloride Pump 100.0 ----
Allyl Chloride Cooler ---- 20.0
Separators Top Pressure psia
Bottom
Pressure psia
Propylene Separator 20.0 27.0
HCI Separator 19.0 19.0
Drier 18.0 18.0
Allyl Chloride Separator 14.7 19.7
Separation Specifications
Propylene Separator 99.9% Propylene Recovery
90% Allyl Chloride Recovery
HCI Separator 100% HCI Recovery
Drier 1% loss of Chlorine and Propylene
Allyl Chloride Separator 99% Recovery of Allyl Chloride
99% Recovery of 1,2-Dichloropropane
Methods
and Data
The Soave-Redlich-Kwong (SRK) system is specified with COSTALD liquid densi-
ties as recommended in Section 25, Application Guidelines, of the PRO/II Keyword
Input Manual. Soave-Redlich-Kwong is a cubic equation of state recommended for
most light-hydrocarbon, petrochemical applications. Other methods recommended
for this type of system include Peng-Robinson and Benedict-Webb-Rubin-Starling
equations of state.
Table P7.2 provides the components present in the flowsheet and the reaction rates
for the three independent reactions.
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P7-2 PROPYLENE CHLORINATION PRO/II APPLICATION BRIEFS
February 1992
Table P7.2
Component Species in Flowsheet
Component Formula PRO/II Libid
Chlorine Cl2 CL2
Propylene C3H6 PROPYLEN
Allyl Chloride C3H5Cl ALLYLCL
Hydrochloric Acid HCl HCL
1,2-Dichloropropane C3H6Cl2 12DCLPRP
1,3-Dichloropropene C3H4Cl2 13DCLPRE
Kinetic Data
Cl2 + C3H6 C3H5Cl + HCl
Rate 2.1x10
11
e
27009.6
RT
_
,

.
(CCI2
)
.
(CC3H6
)
Cl2 + C3H6 C3H6Cl2
Rate 1.19x10
7
e
6811.98
RT
_
,
.
(CCI2
)
.
(CC3H6
)
Cl2 + C3H5Cl C3H4Cl2 + HCl
Rate 4.69x10
14
e
42300
RT
_
,
.
(CCI
2
)
.
(CC
3H5CI
)
Note: Reaction rates are lbmoles/ft
3
hr.
Activation energies are BTU/lbmole.
Simulation
Model
The simulation flowsheet is shown in Figure P7.1. Pure chlorine and the combined
propylene feed stream (pure feedstock and the recycle stream) are fed to the reactor
which is maintained at 800 F and has a volume of 10 cubic feet. The reactor
products are mixed with some of the recycled chlorinated propylenes and cooled to
56 F before entering the main separator.
The main separator is modeled as a shortcut distillation column. Propylene is the
overhead product and chlorinated propylenes are the bottoms product. Seventy
percent of the bottoms product is pumped, cooled, and recycled back to the main
separator, and the remaining 30 percent is separated into allyl chloride and other
chlorinated propylenes using a second shortcut distillation column.
The overhead product from the main separator feeds the hydrochloric acid scrubber,
which is modeled as a stream calculator, where hydrochloric acid is recovered as
the bottoms product. The overhead product then passes through a drier where
water is removed along with a small loss of chlorine and propylene (note that water
is excluded from the simulation since its effect on the process is negligible). The
recycle propylene drier is also modeled as a stream calculator. This dehydrated
propylene recycle stream is compressed and mixed with the pure propylene feed
stream and fed to the reactor to close the recycle loop.
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February 1992
Because of the relatively large propylene recycle with respect to the feed streams
it is normally recommended that an estimate be given for its flowrate. For this
example, however, no estimate has been provided to illustrate the powerful conver-
gence capability that PRO/II has to offer for difficult recycle problems.
Note that the flowsheet has two recycle streams and a reactor. Reactors in recycle
tend to complicate recycle convergence particularly when direct substitution is used.
For this problem, Wegstein acceleration has been applied with a lower limit of -50
to speed convergence. The choice of recycle method depends upon user prefer-
ence, but this combination has proved effective for many applications, particularly
when no initial estimates are given for the recycle stream.
Since no recycle estimates are provided, the number of recycle iterations is
increased from the default value of 10 to 50.
Input Data A molar flow estimate is provided for the overhead from the first shortcut column
(Note 2). This estimate is based on zero recycle initially (the estimate must always
be less than the feed to the shortcut column or failure will occur). In the RECYCLE
data section, the Wegstein acceleration method is applied (Note 1).
Input Data File
TITLE PROBLEM=P7, PROJECT=APPBRIEFS, USER=SIMSCI, DATE=JULY 1991
DIME ENGLISH
CALC TRIALS=50
TOLER STREAM=0.001,-0.5,0.01,0.01
COMPONENT DATA
LIBID 1,HCL / 2,CL2 / 3,PROPYLEN / 4,ALLYLCL / 5,12DCLPRP / &
6,13DCLPRE
THERMO DATA
METHODS SYSTEM=SRK, DENSITY(L)=COSTALD
STREAM DATA
PROP STREAM=PRPL, TEMP=60, PRES=200, COMP=3,100
PROP STREAM=CL2, TEMP=80, PRES=100, COMP=2,113.88
NAME CL2, CHLORINE / PRPL, PROPYLENE / S6, MAIN RECYCLE / &
S14, ALCL RECYCLE / S4, HCL PRODUCT / S10, DRIER LOSS / &
ALCL,ALLYL CHLOR / DICL,DICHLORIDES
UNIT OPERATIONS
COMPRESSOR UID=10
FEED S6
PROD V=S6A
OPER PRESSURE=88.8
MIXER UID=1
FEED PRPL,S6A
PROD M=S9
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February 1992
CSTR UID=CST1
RXCALC REFPHASE=V
FEED CL2,S9
PROD V=S13
OPER VOLUME=10.0, PHASE=V, TEMP=800, PRES=73.5
STOI 3,-1,1 / 2,-1,1 / 4,1,0 / 1,1,0
BASE PEXP=2.1E11, ACTIVATION=27.0096, COMP=2
STOI 3,-1,1 / 2,-1,1 / 5,1,0
STOI 4,-1,1 / 2,-1,1 / 6,1,0 / 1,1,0
BASE PEXP=4.69E14, ACTIVATION=4.23E1, COMP=2
HX UID=3
HOT FEED=S13,S14,L=S1
OPERATION HTEMP=50
SHORTCUT UID=4, NAME=PRPL COLUMN
FEED S1
PROD STRM=S3, PRES=20, RATE=50 $NOTE 2
PROD STRM=S2, PRES=27
COND TYPE=PART
SPEC STREAM=S3, COMP=3, RATE, RATIO, REFFEEDS, VALUE=0.999, ATOL=0.0001
SPEC STREAM=S2, COMP=4, RATE, RATIO, REFFEEDS, VALUE=0.90, ATOL=0.0001
EVALUATE MODEL=CONVENTIONAL
SPLIT UID=5
FEED S2
PROD L=S12,L=S11
SPEC STREAM=S11, RATE, RATIO, REFFEEDS, VALUE=0.7, ATOL=0.0001
PUMP UID=6
FEED S11
PROD L=S11A
OPER PRES=100
HX UID=6A
HOT FEED=S11A,M=S14
OPERATION HTEMP=20
SHORTCUT UID=7, NAME=ALCL COLUMN
FEED S12
PROD STRM=ALCL, RATE=50, PRES=14.7
PROD STRM=DICL, PRES=19.7
COND TYPE=PART
EVALUATE MODEL=CONVENTIONAL
SPEC STREAM=ALCL, COMP=4, RATE, RATIO, REFFEEDS, VALUE=0.99, ATOL=0.0001
SPEC STREAM=DICL, COMP=5, RATE, RATIO, REFFEEDS, VALUE=0.99, ATOL=0.0001
STCALC UID=8, NAME=HCL COLUMN
FEED S3
OVHD STRM=S5, PRES=19, TEMP=80
BTMS STRM=S4, PRES=19, TEMP=230
FBTMS 1,,1.0 / 2,6,0.0
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February 1992
STCALC UID=9, NAME=DRIER
FEED S5
OVHD STRM=S6, PRES=18, TEMP=44.2
BTMS STRM=S10, PRES=18, TEMP=44.2
FBTMS 1,,1.0 / 2,4,0.01 / 5,6,0.0
RECYCLE DATA
ACCEL TYPE=WEGS, START=3, WEGL=-50 $NOTE 1
END
Results The recycle loop converged in 43 iterations. Single pass conversion rates are as
follows:
Propylene 7.5 percent
Chlorine 51.3 percent
The reactor effluent cooler and main separator bottoms cooler duties are 26.0 MM
Btu/hr and 1.0 MM Btu/hr respectively. The propylene recycle compressor hydraulic
horsepower is 820 hp.
Conclusions The plant product yields for this propylene feed rate are:
Hydrochloric Acid 3600 lb/hr
Allyl Chloride 3900 lb/hr
Dichlorides 4200 lb/hr
Output Partial results are shown below for the simulation input given above. Output is
shown for:
1) Reactor
2) Shortcut Columns
3) Stream Calculators
4) Stream Molar Component Flowrates
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CSTR Summary
UNIT 3, CST1


REACTOR TYPE ISOTHERMAL
VOLUME, FT3 10.0000
SPACE-TIME, HR AT OUTLET CONDITIONS 3.863E-05
SPACE-VELOCITY, /HR AT OUTLET CONDITIONS 2.589E+04

INLET OUTLET
------------------------ ------------------------
FEED CL2
S9
VAPOR PRODUCT S13

REACTION DATA

---------------- RATES, LB-MOL/HR ------------------------ FRACTION
----------------------------------------------------------------------------------------------------------------------------------------------------
-
1 HCL 0.0000 99.0175 99.0175
2 CL2 219.6209 -112.6988 106.9221 0.5132
3 PROPYLEN 1186.1820 -88.8970 1097.2860 0.0749
4 ALLYLCL 18.7691 51.4136 70.1827
5 12DCLPRP 0.0239 13.6814 13.7053
6 13DCLPRE 3.009E-03 23.8019 23.8049

TOTAL 1424.5990 -13.6813 1410.9180

LB-MOL/HR /
FT3 FRACTION
----------------------------------------------------------------------------------------------------------------------------------------------------
-
2 CL2 1 -7.5216 0.3425
2 CL2 2 -1.3681 0.0623
2 CL2 3 -2.3802 0.1084

REACTION -E/RT
------------------------ ------------------------
1 -10.7971
2 -2.7231
3 -16.9094

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February 1992
CSTR Summary, contd.


-------------------- RATES, LB/HR ------------------------ FRACTION
----------------------------------------------------------------------------------------------------------------------------------------------------
-----
1 HCL 0.0000 3610.2760 3610.2760
2 CL2 1.557E+04 -7991.0250 7581.4150 0.5132
3 PROPYLEN 4.992E+04 -3740.8710 4.617E+04 0.0749
4 ALLYLCL 1436.3260 3934.4790 5370.8050
5 12DCLPRP 2.7049 1545.8190 1548.5240
6 13DCLPRE 0.3339 2641.2990 2641.6330

TOTAL 6.693E+04 0.0000 6.693E+04
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February 1992
Shortcut Column Summary
UNIT 5, 4, PRPL COLUMN

FEEDS
STREAM PHASE
---------------- ----------------
S1 MIXED
PRODUCTS
LB-MOL/HR LB/HR FT3/HR TRAYS
----------------------------------------------------------------------------------------------------------------------------------------------------
S3 VAPOR 1321.75 58797.66 1595.51 1 2.65
S2 LIQUID 297.23 27100.21 410.10
TOTALS 1618.98 85897.88 2005.62 2.65

SPECIFICATIONS

-------------------- ------------ -------------------------------- ---------------------------- ------------------------
STRM S3 3 MOL RATIO 9.990E-01 9.990E-01
STRM S2 4 MOL RATIO 9.000E-01 9.000E-01
UNIT 9, 7, ALCL COLUMN

FEEDS
STREAM PHASE
---------------- ----------------
S12 LIQUID
PRODUCTS
LB-MOL/HR LB/HR FT3/HR TRAYS
-------------------------------------------------------------------------------------------------------------------------------------------------
ALCL VAPOR 51.32 3920.40 66.67 1 6.42
DICL LIQUID 37.85 4209.65 56.36
TOTALS 89.17 8130.06 123.03 6.42

SPECIFICATIONS

------------------------ ------------ -------------------------------- ---------------------------- ------------------------
STRM ALCL 4 MOL RATIO 9.900E-01 9.900E-01
STRM DICL 5 MOL RATIO 9.900E-01 9.900E-01
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February 1992
Stream Calculator Summary
UNIT 10, 8, HCL COLUMN

NET DUTY, MM BTU/HR 1.86011


S3 1.000

TEMPERATURE, F -17.925

PRODUCT

VAPOR S5 S4

TOTAL RATE, LB-MOL/HR 1222.734 99.016 N/A
TEMPERATURE, F 80.000 230.000 N/A
PRESSURE, PSIA 19.000 19.000 N/A
PRESSURE DROP, PSI 1.000 1.000 N/A
ENTHALPY, MM BTU/HR 9.74656 0.62646 N/A
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Stream Calculator Summary, contd.
UNIT 11, 9, DRIER

NET DUTY, MM BTU/HR -0.63661


S5 1.000


PRODUCT

VAPOR S6 S10

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STREAM ID ALCL CL2 DICL PRPL
NAME ALLYL CHLOR CHLORINE DICHLORIDES PROPYLENE

1 HCL 1.3039E-03 0.0000 6.0921E-15 0.0000
2 CL2 0.1344 113.8800 2.4909E-09 0.0000
3 PROPYLEN 0.3299 0.0000 3.4129E-10 100.0000
4 ALLYLCL 50.7126 0.0000 0.5124 0.0000
5 12DCLPRP 0.1368 0.0000 13.5503 0.0000
6 13DCLPRE 5.8006E-03 0.0000 23.7851 0.0000


TEMPERATURE, F 113.0826 80.0000 237.4824 60.0000
PRESSURE, PSIA 14.7000 100.0000 19.7000 200.0000
MOLE FRAC VAPOR 1.0000 1.0000 0.0000 0.0000
MOLE FRAC LIQUID 0.0000 0.0000 1.0000 1.0000

STREAM ID S1 S2 S3 S4
NAME HCL PRODUCT
PHASE MIXED LIQUID VAPOR VAPOR

1 HCL 99.0205 4.3463E-03 99.0161 99.0161
2 CL2 107.2331 0.4481 106.7850 0.0000
3 PROPYLEN 1098.0470 1.0996 1096.9470 0.0000
4 ALLYLCL 189.7240 170.7496 18.9744 0.0000
5 12DCLPRP 45.6482 45.6241 0.0241 0.0000
6 13DCLPRE 79.3064 79.3033 3.0420E-03 0.0000


TEMPERATURE, F 50.0000 173.1101 -17.9247 230.0000
PRESSURE, PSIA 73.5000 27.0000 20.0000 19.0000
MOLE FRAC VAPOR 0.5361 0.0000 1.0000 1.0000
MOLE FRAC LIQUID 0.4639 1.0000 0.0000 0.0000

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Stream Molar Component Rates,
contd.

STREAM ID S5 S6 S6A S9
NAME MAIN RECYCLE
PHASE VAPOR VAPOR VAPOR VAPOR
1 HCL 0.0000 0.0000 0.0000 0.0000
2 CL2 106.7850 105.7171 105.7409 105.7409
3 PROPYLEN 1096.9470 1085.9780 1086.1820 1186.1820
4 ALLYLCL 18.9744 18.7846 18.7691 18.7691
5 12DCLPRP 0.0241 0.0241 0.0239 0.0239
6 13DCLPRE 3.0420E-03 3.0420E-03 3.0092E-03 3.0092E-03


TEMPERATURE, F 80.0000 44.2000 166.7449 128.3168
PRESSURE, PSIA 19.0000 18.0000 88.8000 88.8000
MOLE FRAC VAPOR 1.0000 1.0000 1.0000 1.0000
MOLE FRAC LIQUID 0.0000 0.0000 0.0000 0.0000

NAME DRIER LOSS
PHASE VAPOR LIQUID LIQUID LIQUID

1 HCL 0.0000 3.0424E-03 3.0424E-03 1.3039E-03
2 CL2 1.0678 0.3137 0.3137 0.1344
3 PROPYLEN 10.9694 0.7697 0.7697 0.3299
4 ALLYLCL 0.1897 119.5247 119.5247 51.2249
5 12DCLPRP 0.0000 31.9368 31.9368 13.6872
6 13DCLPRE 0.0000 55.5123 55.5123 23.7910


TEMPERATURE, F 44.2000 173.1096 173.4047 173.1096
PRESSURE, PSIA 18.0000 27.0000 100.0000 27.0000
MOLE FRAC VAPOR 1.0000 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 0.0000 1.0000 1.0000 1.0000
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February 1992
contd.
STREAM ID S13 S14
NAME ALCL RECYCLE
PHASE VAPOR LIQUID

1 HCL 99.0175 3.0424E-03
2 CL2 106.9220 0.3137
3 PROPYLEN 1097.2860 0.7697
4 ALLYLCL 70.1827 119.5247
5 12DCLPRP 13.7053 31.9368
6 13DCLPRE 23.8049 55.5123

TOTAL RATE, LB-MOL/HR 1410.9180 208.0604

TEMPERATURE, F 800.0001 20.0000
PRESSURE, PSIA 73.5000 100.0000
ENTHALPY, MM BTU/HR 32.5732 0.1223
MOLECULAR WEIGHT 47.4354 91.1762
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USE OF GIBBS REACTOR
To illustrate the use of the Gibbs Reactor, assume that no kinetic data is available
for the reactions. Instead of using a CSTR, a GIBBS reactor is used with an overall
conversion of chlorine of 60 percent. The extent of the reaction is then governed
by the minimization of free energy with a limitation of 60 percent chlorine conversion.
The input data is modified as follows:
Replace:
CSTR UID=CST1
RXCALC REFPHASE=V
FEED CL2,S9
PROD V=S13
OPER VOLUME=10.0, PHASE=V, TEMP=800, PRES=73.5
STOI 3,-1,1 / 2,-1,1 / 4,1,0 / 1,1,0
STOI 3,-1,1 / 2,-1,1 / 5,1,0
STOI 4,-1,1 / 2,-1,1 / 6,1,0 / 1,1,0
BASE PEXP=4.69E14, ACTIVATION=4.23E1, COMP=2
With:
GIBBS UID=GIB1
FEED CL2,S9
PROD V=S13
OPER PHASE=V,TEMP=800,PRES=73.5
ELEM REAC=1/2/3/4/5/6
CONV PERCENT=2,60.0
The lower limit of the Wegstein acceleration factor (WEGL) is increased to -10 in
the recycle data since the faster acceleration is not necessary in this case (the
WEGL keyword could be omitted since the default value of -5 is acceptable, but the
WEGL specification is retained here for purposes of illustration).
Output Because the reactor products change significantly with this revised reactor specifi-
cation, this solution is very different than the previous solution. Only the reactor
summary and stream molar component flowrates are shown here.
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February 1992
Gibbs Reactor Summary
UNIT 3, GIB1


REACTOR TYPE ISOTHERMAL
MINIMUM DIMENSIONLESS GIBBS FREE ENERGY (G/RT) 0.6251

INLET OUTLET
-------------------- --------------------
FEED CL2
S9
VAPOR PRODUCT S13

REACTION DATA

-------------------- RATES, LB-MOL/HR -------------------- FRACTION
-----------------------------------------------------------------------------------------------------------------------------------------------------
1 HCL 0.000 111.622 111.622
2 CL2 188.390 -113.034 75.356 0.600000
3 PROPYLEN 385.022 -96.858 288.164 0.251565
4 ALLYLCL 28.929 79.270 108.199
5 12DCLPRP 2.567E-03 1.412 1.414
6 13DCLPRE 2.245E-03 16.176 16.178

TOTAL 602.346 -1.412 600.934

-------------------- RATES, LB-MOL/HR ------------------------ FRACTION
----------------------------------------------------------------------------------------------------------------------------------------------------
-----
1 HCL 0.0000 4069.8620 4069.8620
2 CL2 1.336E+04 -8014.7910 5343.1930 0.6000
3 PROPYLEN 1.620E+04 -4075.8860 1.213E+04 0.2516
4 ALLYLCL 2213.7910 6066.2470 8280.0380
5 12DCLPRP 0.2900 159.5144 159.8045
6 13DCLPRE 0.2491 1795.0350 1795.2840

TOTAL 3.177E+04 -0.0195 3.177E+04
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STREAM ID ALCL CL2 DICL PRPL
NAME ALLYL CHLOR CHLORINE DICHLORIDES PROPYLENE

1 HCL 1.6269E-03 0.0000 7.0031E-15 0.0000
2 CL2 0.1037 113.8800 1.8716E-09 0.0000
3 PROPYLEN 0.0916 0.0000 8.1486E-11 100.0000
4 ALLYLCL 78.1387 0.0000 0.7894 0.0000
5 12DCLPRP 0.0142 0.0000 1.3987 0.0000
6 13DCLPRE 3.0938E-03 0.0000 16.1984 0.0000


TEMPERATURE, F 112.7809 80.0000 239.1208 60.0000
PRESSURE, PSIA 14.7000 100.0000 19.7000 200.0000
MOLE FRAC VAPOR 1.0000 1.0000 0.0000 0.0000
MOLE FRAC LIQUID 0.0000 0.0000 1.0000 1.0000

STREAM ID S1 S2 S3 S4
NAME HCL PRODUCT
PHASE MIXED LIQUID VAPOR VAPOR

1 HCL 111.6258 5.4230E-03 111.6209 111.6209
2 CL2 75.5853 0.3457 75.2399 0.0000
3 PROPYLEN 288.3643 0.3052 288.0604 0.0000
4 ALLYLCL 292.3186 263.0936 29.2233 0.0000
5 12DCLPRP 4.7124 4.7097 2.6639E-03 0.0000
6 13DCLPRE 54.0077 54.0049 2.3726E-03 0.0000


TEMPERATURE, F 50.0000 158.7043 12.2295 230.0000
PRESSURE, PSIA 73.5000 27.0000 20.0000 19.0000
MOLE FRAC VAPOR 0.2115 0.0000 1.0000 1.0000
MOLE FRAC LIQUID 0.7885 1.0000 0.0000 0.0000

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contd.
NAME MAIN RECYCLE
PHASE VAPOR VAPOR VAPOR MIXED
1 HCL 0.0000 0.0000 0.0000 0.0000
2 CL2 75.2399 74.4875 74.5101 74.5101
3 PROPYLEN 288.0604 285.1798 285.0222 385.0222
4 ALLYLCL 29.2233 28.9310 28.9286 28.9286
5 12DCLPRP 2.6639E-03 2.6639E-03 2.5670E-03 2.5670E-03
6 13DCLPRE 2.3726E-03 2.3726E-03 2.2449E-03 2.2449E-03


TEMPERATURE, F 80.0000 44.2000 172.3952 77.6794
PRESSURE, PSIA 19.0000 18.0000 88.8000 88.8000
MOLE FRAC VAPOR 1.0000 1.0000 1.0000 0.9732
MOLE FRAC LIQUID 0.0000 0.0000 0.0000 0.0268

NAME DRIER LOSS

1 HCL 0.0000 3.7961E-03 3.7961E-03 1.6269E-03
2 CL2 0.7524 0.2420 0.2420 0.1037
3 PROPYLEN 2.8806 0.2136 0.2136 0.0916
4 ALLYLCL 0.2922 184.1655 184.1655 78.9281
5 12DCLPRP 0.0000 3.2968 3.2968 1.4129
6 13DCLPRE 0.0000 37.8034 37.8034 16.2015


TEMPERATURE, F 44.2000 158.7044 159.0229 158.7044
PRESSURE, PSIA 18.0000 27.0000 100.0000 27.0000
MOLE FRAC VAPOR 1.0000 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 0.0000 1.0000 1.0000 1.0000
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February 1992
contd
STREAM ID S13 S14
NAME ALCL RECYCLE
PHASE VAPOR LIQUID

1 HCL 111.6223 3.7961E-03
2 CL2 75.3560 0.2420
3 PROPYLEN 288.1642 0.2136
4 ALLYLCL 108.1990 184.1655
5 12DCLPRP 1.4144 3.2968
6 13DCLPRE 16.1781 37.8034

TEMPERATURE, F 800.0001 20.0000
PRESSURE, PSIA 73.5000 100.0000
ENTHALPY, MM BTU/HR 13.3440 0.1801
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February 1992
DRYER COLUMN
You have been asked to design a distillation column to separate a methanol/water
mixture containing approximately 30% methanol. The methanol product, which is
recovered overhead, must have a purity of 96% with a recovery of 99.9% of the
methanol in the feed.
You must determine the column configuration, the required condenser and reboiler
duties, and the diameter of the column.
Process
Data
A schematic of the column is shown in Figure C1.1. The condenser operates at the
bubble point of the overhead. The composition of the feed is given in Table C1.1.
Figure C1.1
Methanol Dryer Column
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PRO/II APPLICATION BRIEFS DRYER COLUMN C1-1
February 1991
Table C1.1
Component kmol/hr
Methanol
420
Water
1010
Temperature Bubble point
Pressure(mmHg) 760
Methods
and Data
Measured equilibrium data are used to derive binary interaction constants for the
NRTL equation. NRTL will accurately model non-ideal behavior and predict the
formation of any azeotrope. The vapor pressure and enthalpy data are taken from
the PRO/II library, and ideal vapor phase behavior is assumed.
The constants are regressed from pressure-temperature-liquid and vapor composi-
tion data using Simscis REGRESS
TM
program. The equilibrium composition data
at 760 mmHg are shown in Table C1.2.
Table C1.2
ATMOSPHERIC BINARY DATA
Temperature (C)
Liquid mole
fraction MeOH
Vapor mole
fraction MeOH
100.0
0.000 0.000
96.2
0.020 0.130
93.9
0.036 0.207
90.3
0.065 0.325
88.8
0.084 0.384
84.0
0.155 0.525
79.5
0.245 0.620
76.0
0.375 0.715
71.8
0.565 0.810
68.0
0.782 0.913
66.0
0.895 0.957
64.7
1.000 1.000
REGRESS is a trademark of Simulation Sciences Inc
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C1-2 DRYER COLUMN PRO/II APPLICATION BRIEFS
February 1991
From these data, the REGRESS program generated the NRTL constants shown in
Table C1.3. Methanol is component 1 and water is component 2.
Table C1.3
NRTL CONSTANTS
A12 -121.89
A21 427.30
0.2835
NRTL was chosen for this simulation, but REGRESS

may be used to obtain
coefficients for any of the liquid activity methods available in PRO/II.
Simulation
Model
The first step in any column design is to establish the number of theoretical trays and
the location of the feed. You know from past experience that between 10 and 20
theoretical trays are usually required for this type of separation, with the feed located
near the middle of the column. The initial column model will therefore contain 15
trays, including the condenser and reboiler, with the feed to tray 8.
The column is modeled as a conventional fractionator using the default IO solution
method. The specifications are the required methanol purity and recovery, and the
condenser and reboiler duties are varied to meet them.
The tray sizing option calculates the diameter of each tray to meet the design flooding
factor. All the trays are then automatically rated at the largest calculated diameter.
Input Data Metric dimensional units are used for this simulation with the pressure changed to
mmHg. Component percentage printout is requested in order to show the product
purities.
The tray sizing calculations are requested with the TSIZE statement. The tray
spacing is defined as 450mm, and the default tray type of sieve trays is used. The
design flooding factor is determined by PRO/II as a function of diameter.
Input Data File:
TITLE PROBLEM=C1,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DIME METRIC,PRES=MMHG
PRINT PERCENT
COMPONENT DATA
LIBID 1,METHANOL/2,WATER
THERMO DATA
METHOD KVALUE=NRTL,ENTH=LIBR,PHI=IDEAL
KVALUE POYNTING=NO
NRTL(K) 1,2,,-121.89,,427.30,0.2835
STREAM DATA
PROP STREAM=1,PHAS=L,PRES=760,COMP=420/1010
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Results The chosen column configuration meets the required specifications with condenser
and reboiler duties of -7.99 Gcal/hr and 8.25 Gcal/hr respectively. The required
column diameter is 2.286 m.
Conclusions Although the specifications are met by this configuration, it will be worthwhile
investigating different numbers of trays in the column and different feed tray locations,
as there may be a more cost effective solution.
If more trays are used, the capital cost will increase, but the duties and, therefore,
the operating costs will be lower. The optimum design is always a compromise
between capital and operating costs.
Output The column summary shows the required duties and the reflux to the column. The
L/D reflux ratio is the ratio of the liquid from tray 1 and the overhead product rate. In
this example, it is 1.16. The required diameter for each tray is shown on the tray
sizing output. This is followed by the rating results using the largest calculated
diameter.
The stream output shows the component rates and purities. The water product is
99.96% pure.

NAME 1,FEED/2,METH PROD/3,WATER PROD
UNIT OPS DATA
COLUMN UID=N-1,NAME=MEOH DRYER
PARA TRAY=15
FEED 1,8
PSPE TOP=760
HEAT 1,1/2,15
SPEC STREAM=2,COMP=1,FRACT,VALUE=0.96,ATOL=0.001
VARY HEAT=1,2
ESTI MODEL=CONV
TSIZE SPACING=450
END
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February 1991

UNIT 1, N-1, MEOH DRYER


IN/OUT METHOD 6

COLUMN SUMMARY

------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- ------------------------
1 65.1 760.00 505.0 437.1L -7.9827
2 66.0 760.00 499.5 942.1
3 67.2 760.00 492.6 936.6
4 68.7 760.00 484.1 929.6
5 70.7 760.00 474.3 921.2
6 73.0 760.00 463.9 911.4
7 75.7 760.00 454.6 901.0
8 78.2 760.00 1878.2 891.7 1430.0L
9 80.1 760.00 1864.0 885.3
10 84.4 760.00 1844.2 871.0
11 91.1 760.00 1835.3 851.2
12 96.5 760.00 1837.5 842.3
13 98.9 760.00 1840.0 844.5
14 99.7 760.00 1841.1 847.1
15 99.9 760.00 848.1 992.9L 8.2467


------------- ------------ ------------ -------- -------- ---------------- ------------------------ ------------------------
FEED 1 LIQUID 8 1.0000 1430.00 2.0837
PRODUCT 3 LIQUID 15 992.94 1.7876


SPECIFICATIONS

----------------- -------- ------------ ------------------------- -------------------- --------------------
STRM 2 1 1 MOL RATIO 9.990E-01 9.990E-01
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February 1991
TRAY SIZING CALCULATION OUTPUT
UNIT 1, N-1, MEOH DRYER (CONT)


NUMBERS PASSES MM FACTOR TYPE MM
------------- ----------------- ------------ ------------------------ ------------ --------- ------------------------
1 1 - 15 N/A 450.00 1.00 VALVE 381.00

TRAY SIZING RESULTS

CFS HOTGPM CFS DIA, MM FF DIA, MM FF DIA, MM FF
-------- --------- ------------ --------- ------------- -------- ------------- -------- ------------- -------- ----
2 256.6 89.0 9.834 2196.2 78.0 2134. 82.8 2286. 71.8 1
3 255.8 84.0 9.650 2176.9 78.0 2134. 81.3 2286. 70.5 1
4 254.9 77.9 9.419 2152.6 78.0 2134. 79.4 2286. 68.9 1
5 254.0 70.8 9.139 2122.6 78.0 1981. 90.1 2134. 77.2 1
6 253.0 63.1 8.822 2088.1 78.0 1981. 87.1 2134. 74.6 1
7 252.2 56.2 8.513 2053.7 78.0 1981. 84.1 2134. 72.1 1
8 251.7 214.1 8.273 2143.6 78.0 2134. 78.7 2286. 68.7 1
9 250.7 201.9 7.887 2099.6 78.0 1981. 87.6 2134. 75.5 1
10 249.6 181.7 7.231 2023.1 78.0 1981. 81.3 2134. 70.2 1
11 250.6 164.2 6.665 1955.7 78.0 1829. 89.3 1981. 76.0 1
12 252.9 156.1 6.420 1928.2 78.0 1829. 86.8 1981. 73.9 1
13 254.2 153.5 6.345 1920.2 78.0 1829. 86.0 1981. 73.3 1
14 254.7 152.7 6.324 1918.0 78.0 1829. 85.8 1981. 73.1 1

TRAY SIZING DOWNCOMER WIDTH CALCULATION

NEXT LARGER ------------- DOWNCOMER WIDTHS ----------------
TRAY DIAMETER SIDE CENTER OFF-CENTER
MM MM MM MM
-------- --------------------- ------------- ------------- --------------------
2 2286. 149.366 N/A N/A
3 2286. 147.485 N/A N/A
4 2286. 145.099 N/A N/A
5 2134. 145.684 N/A N/A
6 2134. 142.278 N/A N/A
7 2134. 138.916 N/A N/A
8 2286. 160.512 N/A N/A
9 2134. 157.176 N/A N/A
10 2134. 144.726 N/A N/A
11 1981. 137.087 N/A N/A
12 1981. 134.218 N/A N/A
13 1981. 133.407 N/A N/A
14 1981. 133.183 N/A N/A
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February 1991
TRAY RATING CALCULATION OUTPUT

UNIT 1, N-1, MEOH DRYER (CONT)


VALVE DIAMETER 47.625 MM

NUMBER MM OR CAPS MM MM MM
------------- ------------ ---------------- ---- ----------------- ------------ ------------- --------------------
1 8 2286. 1 497 160.512 N/A N/A

TRAY RATING AT SELECTED DESIGN TRAY

PRES DOWNCOMER
TRAY VAPOR LIQUID VLOAD DIAM FF NP DROP GPM/LWI BACKUP, MM
CFS HOTGPM CFS MM MM HG GPM/IN CLEAR LIQD
-------- --------- ------------ --------- -------- -------- ---- ------------ ------------- --------------------
2 256.6 89.0 9.834 2286. 72.2 1 5.595 1.9 169.90
3 255.8 84.0 9.650 2286. 71.0 1 5.482 1.8 166.00
4 254.9 77.9 9.419 2286. 69.5 1 5.348 1.7 161.23
5 254.0 70.8 9.139 2286. 67.6 1 5.197 1.5 155.61
6 253.0 63.1 8.822 2286. 65.4 1 5.043 1.4 149.48
7 252.2 56.2 8.513 2286. 63.3 1 4.912 1.2 143.72
8 251.7 214.1 8.273 2286. 68.7 1 5.920 4.7 189.74
9 250.7 201.9 7.887 2286. 66.1 1 5.685 4.4 181.59
10 249.6 181.7 7.231 2286. 61.8 1 5.318 3.9 168.52
11 250.6 164.2 6.665 2286. 58.2 1 5.037 3.6 157.80
12 252.9 156.1 6.420 2286. 56.6 1 4.932 3.4 153.18
13 254.2 153.5 6.345 2286. 56.2 1 4.904 3.3 151.73
14 254.7 152.7 6.324 2286. 56.0 1 4.897 3.3 151.31
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February 1991

STREAM ID 1 2 3
NAME FEED METH PROD WATER PROD

1 METHANOL 420.0000 419.5799 0.4199
2 WATER 1010.0001 17.4822 992.5175


TEMPERATURE, C 78.2215 65.1311 99.9134
PRESSURE, MM HG 760.0000 760.0000 760.0000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000
STREAM COMPONENT PERCENTAGES
STREAM ID 1 2 3
NAME FEED METH PROD WATER PROD

FLUID MOLAR PERCENTS
1 METHANOL 29.3706 96.0001 0.0423
2 WATER 70.6294 3.9999 99.9577


TEMPERATURE, C 78.2215 65.1311 99.9134
PRESSURE, MM HG 760.0000 760.0000 760.0000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000
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February 1991
AMMONIA-ACETONE-
WATER SEPARATION
A pure ammonia stream is to be produced from an ammonia-acetone-water mixture.
In addition, an acetone-rich side draw stream, and a bottoms stream composed
primarily of water are to be produced.
Process
Data
The flowsheet for this problem is shown in Figure C2.1. The feed stream information
is given in Table C2.1, and the process information in Table C2.2.
Figure C2.1
NAH Column
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PRO/II APPLICATION BRIEFS AMMONIA-ACETONE-WATER SEPARATION C2-1
February 1992
Table C2.1
Component kmoles/hr
Ammonia 3702.77
Acetone 17.93
Water 126.55
Temperature(K) 473.00
Pressure Feed Tray Pressure
Table C2.2
Process Information
Condenser pressure
1555 kPa
Column top pressure
1565 kPa
P/tray
1.5 kPa
Liquid side draw rate
18 kg moles/hr
Reflux rate
2500 kg moles/hr
Overhead product rate
3702 kg moles/hr
Methods
and Data
The ammonia-acetone-water system is non-ideal and the K-values are calculated
using the NRTL liquid-phase activity coefficient method. The vapor phase is assumed
ideal and no vapor phase associations are taken into consideration. Library vapor
phase and enthalpy data are used.
Simulation
Model
The separation column is modeled as an ordinary distillation column with 18 theo-
retical stages (including the condenser and reboiler). The feed is introduced on stage
14 at the column pressure. The overhead condenser is modeled as a total condenser
with a bubble point product. The side draw rate off stage 6 is set on the PRODUCT
statement. Performance specifications are used for the overhead product rate and
the molar reflux flow rate. The reboiler and condenser duties are variables calculated
to meet these specifications. The initial estimate generator MODEL=CONVEN-
TIONAL is used with a molal reflux rate estimate equal to the specified reflux rate to
generate the initial column temperature and vapor-liquid rate profiles.
Input Data SI dimensions are used for the simulation. The standard input reprint summary is
suppressed.
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C2-2 AMMONIA-ACETONE-WATER SEPARATION PRO/II APPLICATION BRIEFS
February 1992
Input Data File
TITLE PROBLEM=APPBRIEFS, PROJECT=C2, USER=SIMSCI, DATE=JAN92
DESC APPLICATION BRIEF C2 - AMMONIA-ACETONE-WATER SEPARATION
DIMEN SI
COMPONENT DATA
LIBID 1,AMMONIA/2,ACETONE/3,WATER
THERMODYNAMIC DATA
METHOD SYSTEM=NRTL,ENTH=PURE,TRANSPORT=PURE
STREAM DATA
PROP STRM=1,TEMP=473, &
COMP(M)=1,3702.77/2,17.93/3,126.55
NAME 1,FEED/2,BOTTOMS/3,OVERHEAD/ &
4,SIDE DRAW
UNIT OPERATIONS
COLUMN UID=NAH,NAME=NAH TOWER
PARA TRAY=18,CHEM=20
FEED 1,14,NOTSEPARATE
PROD OVHD=3,3702,BTMS=2,LDRAW=4,6,18
DUTY 1,1,-78/2,18,10
ESTI MODEL=CONV,REFLUX=2500
VARY DUTY=1,2
PSPEC TOP=1565,DP=1.5
PRINT ITER=ESTI,PROP=PART,KVALUES,COMP=M
SPEC REFLUX,VALUE=2500
SPEC STREAM=3,RATE,VALUE=3702
END
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In addition to the standard default output, stream transport properties (thermal
conductivities, viscosities, and surface tensions) are requested. Tray molar compo-
sitions and K-values are also requested. The following data were extracted from the
PRO/II output:
1) Column summary
2) Tray Molar Compositions
3) Tray Transport Properties
4) Tray K-values
Column Summary Output
UNIT 1, NAH, NAH TOWER


CHEM METHOD 12

COLUMN SUMMARY

---------------- ---------------- -------------------- -------------------- -------------------- -------------------- -------------------- --------------------------------
1 313.1 1555.00 2500.0 3702.0L -116.5902
2 313.8 1565.00 2482.7 6202.0
3 318.2 1566.50 2367.6 6184.7
4 341.3 1568.00 2179.4 6069.6
5 374.5 1569.50 2307.8 5881.4
6 389.3 1571.00 2433.4 6009.8 18.0L
7 393.6 1572.50 2482.6 6153.4
8 394.7 1574.00 2492.4 6202.6
9 395.0 1575.50 2488.9 6212.4
10 395.0 1577.00 2479.5 6208.9
11 394.9 1578.50 2465.2 6199.5
12 394.8 1580.00 2446.1 6185.2
13 395.0 1581.50 2438.4 6166.1
14 396.3 1583.00 2230.2 6158.4 3847.3V
15 428.4 1584.50 2096.3 2103.0
16 438.2 1586.00 1823.3 1969.0
17 454.8 1587.50 1634.2 1696.1
18 470.8 1589.00 1506.9 127.3L 52.8226

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---------------- ------------------------ ---------------- ------------ ------------ ---------------- ---------------------------- ----------------------------
FEED 1 VAPOR 14 0.0000 3847.25 77.8500
PROD 3 LIQUID 1 3702.00 11.8871
PROD 4 LIQUID 6 18.00 0.2534
PROD 2 LIQUID 18 127.25 1.9418


SPECIFICATIONS

---------------------------------------- ------------ ------------ -------------------------------- ---------------------------- ------------------------
UNIT NAH 1 MOL REFLUX 2.500E+03 2.500E+03
STRM 3 1 MOL RATE 3.702E+03 3.702E+03

REFLUX RATIOS

-------------------- REFLUX RATIOS --------------------
-------------------- -------------------- ------------------------
REFLUX / FEED STREAM 1 0.6498 0.6422 0.6527

TRAY MOLAR COMPOSITIONS

TRAY 1 TRAY 2
COMPONENT X Y X Y
---------------------------- ---------------------------- ------------------------ ------------------------
1 AMMONIA 0.99951 0.99998 0.98671 0.99951
2 ACETONE 4.9242E-04 1.7888E-05 0.01329 4.9242E-04
3 WATER 9.0020E-10 7.9928E-13 9.5416E-07 9.0020E-10

RATE, KG-MOL/HR 2500.00 0.00 2482.66 6202.00

TRAY 3 TRAY 4
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 AMMONIA 0.87104 0.99437 0.47227 0.94940
2 ACETONE 0.12873 0.00563 0.52185 0.05051
3 WATER 2.2588E-04 3.5490E-07 0.00589 8.6680E-05

RATE, KG-MOL/HR 2367.61 6184.66 2179.38 6069.61
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TRAY 5 TRAY 6
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 AMMONIA 0.20490 0.80413 0.13751 0.69437
2 ACETONE 0.77887 0.19368 0.83990 0.29939
3 WATER 0.01624 0.00218 0.02260 0.00624

RATE, KG-MOL/HR 2307.78 5881.38 2433.44 6009.78

TRAY 7 TRAY 8
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 AMMONIA 0.12235 0.65610 0.12003 0.64592
2 ACETONE 0.85032 0.33490 0.84760 0.34307
3 WATER 0.02733 0.00900 0.03237 0.01101

RATE, KG-MOL/HR 2482.59 6153.44 2492.36 6202.59

TRAY 9 TRAY 10
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- --------------------
1 AMMONIA 0.12156 0.64417 0.12504 0.64507
2 ACETONE 0.83962 0.34278 0.82706 0.33930
3 WATER 0.03882 0.01305 0.04790 0.01563

RATE, KG-MOL/HR 2488.95 6212.36 2479.54 6208.95

TRAY 11 TRAY 12
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 AMMONIA 0.13065 0.64726 0.14004 0.65071
2 ACETONE 0.80754 0.33352 0.77424 0.32459
3 WATER 0.06181 0.01922 0.08572 0.02470

RATE, KG-MOL/HR 2465.16 6199.54 2446.11 6185.16

TRAY 13 TRAY 14
COMPONENT X Y X Y
------------------------ ------------------------ -------------------- ------------------------
1 AMMONIA 0.15787 0.65604 0.19558 0.66374
2 ACETONE 0.70738 0.30989 0.53963 0.28284
3 WATER 0.13475 0.03407 0.26479 0.05342

RATE, KG-MOL/HR 2438.42 6166.11 2230.24 6158.42

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TRAY 15 TRAY 16
COMPONENT X Y X Y
------------------------ ------------------------ -------------------- ------------------------
1 AMMONIA 0.05358 0.20736 0.01853 0.05699
2 ACETONE 0.55178 0.57181 0.33874 0.58694
3 WATER 0.39464 0.22083 0.64272 0.35608

RATE, KG-MOL/HR 2096.28 2102.99 1823.32 1969.03

TRAY 17 TRAY 18
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 AMMONIA 0.00493 0.01985 9.3010E-04 0.00527
2 ACETONE 0.06684 0.36357 0.00777 0.07183
3 WATER 0.92822 0.61657 0.99130 0.92290

RATE, KG-MOL/HR 1634.18 1696.07 127.25 1506.93

TRAY TRANSPORT PROPERTIES

TRAY - THERMAL CONDUCTIVITY - ---------------- VISCOSITY ---------------- ---- SURFACE ----
W/M-K PAS TENSION
LIQUID VAPOR LIQUID VAPOR N/M
------------ ------------------------ ---------------------------- ------------------------ ---------------------------- ----------------------------
1 4.4176E-01 0.0000E+00 1.1415E-04 0.0000E+00 1.6879E-02
2 4.3531E-01 2.6009E-02 1.1467E-04 1.0725E-05 1.6782E-02
3 3.8390E-01 2.6417E-02 1.2200E-04 1.0855E-05 1.6364E-02
4 2.3819E-01 2.8237E-02 1.4100E-04 1.1416E-05 1.4688E-02
5 1.6243E-01 2.9379E-02 1.3627E-04 1.1782E-05 1.2465E-02
6 1.4563E-01 2.9108E-02 1.2959E-04 1.1760E-05 1.1505E-02
7 1.4269E-01 2.8942E-02 1.2751E-04 1.1739E-05 1.1334E-02
8 1.4329E-01 2.8911E-02 1.2703E-04 1.1739E-05 1.1438E-02
9 1.4531E-01 2.8930E-02 1.2703E-04 1.1748E-05 1.1671E-02
10 1.4857E-01 2.8974E-02 1.2721E-04 1.1762E-05 1.2030E-02
11 1.5373E-01 2.9042E-02 1.2754E-04 1.1783E-05 1.2588E-02
12 1.6283E-01 2.9152E-02 1.2810E-04 1.1816E-05 1.3545E-02
13 1.8225E-01 2.9358E-02 1.2919E-04 1.1879E-05 1.5490E-02
14 2.3876E-01 2.9865E-02 1.3213E-04 1.2035E-05 2.0582E-02
15 2.5899E-01 2.6915E-02 1.2640E-04 1.1826E-05 2.2992E-02
16 3.9462E-01 2.6393E-02 1.3716E-04 1.2040E-05 3.1487E-02
17 6.0912E-01 2.9019E-02 1.4260E-04 1.3401E-05 3.9144E-02
18 6.5959E-01 3.2518E-02 1.3487E-04 1.5592E-05 3.7842E-02
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TRAY K-VALUES

------------------------ ------------------------ ------------------------ ------------------------
1 AMMONIA 1.0005E+00 1.0130E+00 1.1416E+00 2.0103E+00
2 ACETONE 3.6327E-02 3.7048E-02 4.3738E-02 9.6800E-02
3 WATER 8.8790E-04 9.4345E-04 1.5712E-03 1.4720E-02

TEMPERATURE, DEG K 313.071 313.752 318.184 341.279
PRESSURE, KPA 1555.000 1565.000 1566.500 1568.000

------------------------ ------------------------ ------------------------ ------------------------
1 AMMONIA 3.9246E+00 5.0498E+00 5.3625E+00 5.3814E+00
2 ACETONE 2.4867E-01 3.5646E-01 3.9385E-01 4.0475E-01
3 WATER 1.3438E-01 2.7593E-01 3.2937E-01 3.3999E-01

PRESSURE, KPA 1569.500 1571.000 1572.500 1574.000

------------------------ ------------------------ ------------------------ ------------------------
1 AMMONIA 5.2990E+00 5.1590E+00 4.9542E+00 4.6466E+00
2 ACETONE 4.0826E-01 4.1025E-01 4.1301E-01 4.1924E-01
3 WATER 3.3623E-01 3.2625E-01 3.1097E-01 2.8817E-01

PRESSURE, KPA 1575.500 1577.000 1578.500 1580.000

------------------------ ------------------------ ------------------------ ------------------------
1 AMMONIA 4.1555E+00 3.3937E+00 3.8698E+00 3.0750E+00
2 ACETONE 4.3808E-01 5.2413E-01 1.0363E+00 1.7327E+00
3 WATER 2.5286E-01 2.0174E-01 5.5957E-01 5.5401E-01

PRESSURE, KPA 1581.500 1583.000 1584.500 1586.000

COMPONENT TRAY 17 TRAY 18
------------------------ ------------------------
1 AMMONIA 4.0234E+00 5.6687E+00
2 ACETONE 5.4394E+00 9.2430E+00
3 WATER 6.6425E-01 9.3100E-01

TEMPERATURE, DEG K 454.817 470.795
PRESSURE, KPA 1587.500 1589.000
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MEK-WATER-TOLUENE
It is desired to remove the water in a MEK-Toluene solution in order to a provide a
product with a dryness of 500 ppm by weight.
Process
Data
Table C3.1
Component Feed (lb moles/hr)
MEK 27.4
Water 2.22
Toluene 135.49
Figure C3.1
MEK-Water-Toluene Column
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PRO/II APPLICATION BRIEFS MEK-WATER-TOLUENE C3-1
February 1992
Table C3.1
Process Information
Pressure
(mmHg)
Temperature
(F)
Feed 760 190
Water Product 760
Dry Product 760
Methods
and Data
The SIMSCI databank does not contain all the NRTL binary interaction parameters
needed for the components present in this system. The ALCOHOL databank,
however, does contain these binary parameters and is therefore designated as the
primary databank.
Simulation
Model
retical trays (including a bubble point condenser and reboiler). The feed is introduced
on stage 6. The presence of two liquid phases in the separation column requires that
the CHEMDIST algorithm be used . VLLE thermodynamics is chosen initially only for
the condenser. However, the VLLECHECK statement is used to allow for a switch
from VLE to VLLE thermodynamics, should the presence of two liquid phases be
detected on any of the subsequent stages. The water-rich phase from the condenser
is totally withdrawn, and all of the toluene-rich phase is returned as reflux to the
column. A performance specification is used to set the toluene-rich phase reflux rate
equal to zero, the condenser duty being the variable calculated to meet this specifi-
cation. The reboiler duty is used as the variable calculated to meet the specification
on the water content of the dry bottoms product. The initial estimate generator
MODEL=CHEM is utilized with tray temperature estimates. The number of iterations
allowed for the CHEMDIST algorithm is increased to 30.
Input Data English units are used for the simulation, with stream component weight percentages
selected for the output. Note how the total reflux specification on the toluene-rich
liquid phase (Note 1) and how the column bottom product specifications are met
(Note 2). The print option for the column tray molar compositions is selected.Two
separate NRTL thermodynamic sets (VLE and VLLE) are selected, with the
VLLECHECK statement used to switch trays from VLE to VLLE if necessary (Note
3).
Input Data File
TITLE PROJECT=APPBRIEFS,PROBLEM=C3, &
DESC MEK-WATER-TOLUENE COLUMN WITH DECANTER
DIMEN ENGLISH
PRINT RATE=M,PERCENT=W,STREAM=ALL,INPUT=ALL
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C3-2 MEK-WATER-TOLUENE PRO/II APPLICATION BRIEFS
February 1992
COMPONENT DATA
LIBID 1,MEK/2,H2O/3,TOLUENE
THERMODYNAMIC DATA
METHOD KVALUE(VLE)=NRTL,ENTH(V)=SRKM,ENTH(L)=IDEA, &
DEFAULT
KVALUE(VLE) BANK=ALCOHOL,SIMSCI
METHOD KVALUE(VLLE)=NRTL,ENTH(V)=SRKM,ENTH(L)=IDEA, &
DENS(V)=SRKM,DENS(L)=IDEA,L1KEY=2, &
L2KEY=3,SET=SET02
KVALUE(VLLE) BANK=ALCOHOL,SIMSCI
STREAM DATA
COMP(M)=1,27.4/2,2.22/3,135.49
NAME 3,FEED/7,WATER LAYER/5,DRY PRODUCT
UNIT OPERATIONS
COLUMN UID=W-10,NAME=DEHYD COL
PARAM TRAY=21,CHEMDIST=30,CUTOFF=0.1,ERRINC=150, &
DAMP=0.8
FEED 3,6,NOTSEP
PROD OVHD(L1)=7,2.0,BTMS=5,162.7
COND TYPE=BUBB,PRESS=760
DUTY 1,1/2,21,20
PSPEC TOP=760
PRINT PROP=PART,COMP=M,ITER=PART,XYDATA,KVALUE
ESTI MODEL=CHEM,CTEMP=160,TTEMP=170,BTEMP=200,RTEMP=210
SPEC COLUMN=W-10,PHASE=L1,REFL(M), & $NOTE 1
VALUE=0
SPEC STREAM=5,PPM(W),COMP=2, & $NOTE 2
VALUE=500, &
ATOL=0.01
VARY DUTY=1,2
METHOD SET=SET02,1/SET01,21
VLLECHECK CHECK=ON, SET=SET02 $NOTE 3
Results The reboiler duty required is 0.2896 MM Btu/hr, while the condenser duty is 0.1590
MM Btu/hr. Two liquid phases are found to exist on the condenser and the next four
lower trays.
1) Column Summary
2) Tray Molar Compositions
3) Stream Summary
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Column Summary

UNIT 1, W-10, DEHYD COL

CHEM METHOD 42

COLUMN SUMMARY

------------------------ NET FLOW RATES ---------------------------- HEATER
DEG F MM HG LB-MOL/HR MM BTU/HR
---------------- ---------------- -------------------- ---------------- -------------------- -------------------- -------------------- ------------------------
1* 169.7 760.00 8.4 1.9L -0.1590
2* 170.0 760.00 8.4 10.3
3* 170.5 760.00 8.3 10.3
4* 171.6 760.00 8.2 10.2
5* 174.0 760.00 8.0 10.0
6 185.4 760.00 171.3 9.9 165.1L
7 185.4 760.00 171.3 8.1
8 185.4 760.00 171.3 8.1
9 185.4 760.00 171.3 8.1
10 185.4 760.00 171.3 8.1
11 185.4 760.00 171.3 8.1
12 185.4 760.00 171.3 8.1
13 185.4 760.00 171.3 8.1
14 185.4 760.00 171.3 8.1
15 185.4 760.00 171.4 8.1
16 185.5 760.00 171.4 8.1
17 186.0 760.00 171.6 8.2
18 187.4 760.00 172.4 8.4
19 191.5 760.00 174.4 9.1
20 199.4 760.00 178.5 11.2
21 209.0 760.00 15.3 163.2L 0.2896


-------------------- ---------------------------------------- ------------ ------------ ---------------- ---------------------------- ------------------------
FEED 3 LIQUID 6 1.0000 165.11 1.0084
PROD 7 L1OVHD 1 1.89 0.0049
PROD 5 LIQUID 21 163.22 1.1340


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SPECIFICATIONS

---------------------------------------- ------------ ------------ ------------------------ ---------------------------- ------------------------
UNIT W-10 1 MOL REFLUX 0.000E+00 0.000E+00
STRM 5 21 2 WT PPM 5.000E+02 5.000E+02
REFLUX RATIOS

-------------------- REFLUX RATIOS --------------------
------------------------ -------------------- ----------------------
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UNIT 1, W-10, DEHYD COL (CONT)


TRAY 1 TRAY 2
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- --------------------
1 MEK 0.47973 0.50044 0.53928 0.47973
2 H2O 0.39695 0.39413 0.27651 0.39695
3 TOLUENE 0.12332 0.10543 0.18422 0.12332

RATE, LB-MOL/HR 8.44 0.00 8.39 10.33

TRAY 3 TRAY 4
COMPONENT X Y X Y
-------------------- ------------------------ ------------------------ ------------------------
1 MEK 0.47407 0.44695 0.36888 0.39306
2 H2O 0.29027 0.40266 0.31947 0.41491
3 TOLUENE 0.23566 0.15039 0.31165 0.19203

RATE, LB-MOL/HR 8.31 10.28 8.16 10.19

TRAY 5 TRAY 6
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.26455 0.30648 0.16999 0.22125
2 H2O 0.26547 0.44041 0.02118 0.39806
3 TOLUENE 0.46998 0.25312 0.80883 0.38069

RATE, LB-MOL/HR 8.05 10.05 171.33 9.94

TRAY 7 TRAY 8
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.16999 0.22125 0.16999 0.22125
2 H2O 0.02118 0.39806 0.02118 0.39806
3 TOLUENE 0.80883 0.38069 0.80883 0.38069

RATE, LB-MOL/HR 171.33 8.11 171.33 8.11

TRAY 9 TRAY 10
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.16999 0.22125 0.16999 0.22125
2 H2O 0.02118 0.39806 0.02118 0.39806
3 TOLUENE 0.80883 0.38069 0.80883 0.38069

RATE, LB-MOL/HR 171.33 8.11 171.33 8.11
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TRAY 11 TRAY 12
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.16999 0.22125 0.16999 0.22125
2 H2O 0.02118 0.39806 0.02118 0.39805
3 TOLUENE 0.80883 0.38069 0.80883 0.38070

RATE, LB-MOL/HR 171.33 8.11 171.33 8.11

TRAY 13 TRAY 14
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.17000 0.22127 0.17001 0.22133
2 H2O 0.02117 0.39801 0.02116 0.39789
3 TOLUENE 0.80883 0.38071 0.80883 0.38078

RATE, LB-MOL/HR 171.33 8.11 171.34 8.11

TRAY 15 TRAY 16
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.17005 0.22155 0.17020 0.22232
2 H2O 0.02113 0.39743 0.02100 0.39583
3 TOLUENE 0.80883 0.38102 0.80881 0.38186

RATE, LB-MOL/HR 171.35 8.11 171.42 8.13

TRAY 17 TRAY 18
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.17070 0.22499 0.17236 0.23393
2 H2O 0.02055 0.39024 0.01911 0.37155
3 TOLUENE 0.80874 0.38477 0.80852 0.39451

RATE, LB-MOL/HR 171.64 8.19 172.36 8.41

TRAY 19 TRAY 20
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.17680 0.26023 0.18254 0.31299
2 H2O 0.01526 0.31659 0.00855 0.20174
3 TOLUENE 0.80794 0.42318 0.80891 0.48527

RATE, LB-MOL/HR 174.43 9.14 178.53 11.21

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TRAY 21
COMPONENT X Y
------------------------ ------------------------
1 MEK 0.16745 0.34348
2 H2O 0.00246 0.07347
3 TOLUENE 0.83010 0.58305

RATE, LB-MOL/HR 163.22 15.31

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TWO LIQUID PHASE TRAY RATES AND COMPOSITIONS

TRAY 1
RATE, LB-MOL/HR COMPOSITION
COMPONENT L1 PHASE L2 PHASE L1 PHASE L2 PHASE
------------------------ ------------------------ ------------------------ ----------------------------
1 MEK 0.0692 4.8840 0.036701 0.578755
2 H2O 1.8168 2.2817 0.963194 0.270380
3 TOLUENE 1.982E-04 1.2731 0.000105 0.150865

TOTAL 1.8862 8.4389
FRACTION 0.182685 0.817315

TRAY 2
------------------------ ------------------------ ------------------------ ----------------------------
1 MEK 0.0141 4.5102 0.033804 0.565801
2 H2O 0.4041 1.9157 0.966086 0.240324
3 TOLUENE 4.610E-05 1.5454 0.000110 0.193875

TOTAL 0.4183 7.9713
FRACTION 0.049856 0.950144

TRAY 3
------------------------ ------------------------ ------------------------ ----------------------------
1 MEK 0.0298 3.9077 0.029602 0.535257
2 H2O 0.9752 1.4357 0.970284 0.196654
3 TOLUENE 1.144E-04 1.9572 0.000114 0.268089

TOTAL 1.0051 7.3005
FRACTION 0.121013 0.878987

TRAY 4
------------------------ ------------------------ ------------------------ ----------------------------
1 MEK 0.0420 2.9688 0.023603 0.465035
2 H2O 1.7356 0.8718 0.976284 0.136560
3 TOLUENE 2.006E-04 2.5434 0.000113 0.398405

TOTAL 1.7778 6.3839
FRACTION 0.217818 0.782182

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TRAY 5
------------------------ ------------------------ ------------------------ ----------------------------
1 MEK 0.0271 2.1017 0.015897 0.331514
2 H2O 1.6801 0.4562 0.983999 0.071955
3 TOLUENE 1.769E-04 3.7818 0.000104 0.596532

TOTAL 1.7074 6.3397
FRACTION 0.212176 0.787824

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Stream Weight Component Percents

STREAM ID 3 5 7
NAME FEED DRY PRODUCT WATER LAYER

1 MEK 13.6259 13.6269 13.2268
2 H2O 0.2758 0.0500 86.7248
3 TOLUENE 86.0983 86.3231 0.0484

TOTAL RATE, LB/HR 14500.0713 14462.2939 37.7399

TEMPERATURE, F 190.0000 208.9571 169.7303
PRESSURE, MM HG 760.0000 760.0000 760.0000
ENTHALPY, MM BTU/HR 1.0084 1.1340 4.8706E-03
WEIGHT FRAC VAPOR 0.0000 0.0000 0.0000
WEIGHT FRAC LIQUID 1.0000 1.0000 1.0000
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AZEOTROPIC SEPARATION
Isobutanol is being separated from acetic acid in a distillation column. The isobutanol
product is removed overhead and the acetic acid is taken as the bottoms. To
enhance the separation, water is fed onto the top tray and distributes between the
two main components.
An increase in the throughput of the column has been proposed and you must
determine its feasibility. You need to establish if sufficient duty is available for the
condenser and reboiler duties and whether the column can handle the increased flow
rates.
Process
Data
The flow sheet and the column pressures are shown in Figure C4.1. The column has
10 theoretical stages including the reboiler and bubble point condenser. There is a
conventional reflux to the column from the condenser, and the water feed is added
on the top tray.
The details of the new feed are shown in Table C4.1.
Figure C4.1
Azeotropic Tower
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February 1991
Table C4.1
Component Primary Feed
lb/hr
Water Reflux
lb/hr
Isobutanol
525
-
Acetic Acid
2095
-
Water
-
900
Temperature (F)
292 120
Pressure (psig)
26.1 24.3
Methods
and Data
Vapor pressures and enthalpy data are taken from the PRO/II library. Coefficients
have been developed for the van Laar liquid activity method to represent the liquid
phase non-ideality. Coefficients may be found in the open literature or developed by
regressing experimental equilibrium data onto any of the liquid activity equations
using SimScis REGRESS program.
The reliability of the simulation results depends entirely on the accuracy of the
measured data used to derive the activity coefficients.
Because of the low pressure, the vapor phase can be treated as ideal.
Simulation
Model
The reflux ratio is to be maintained at the current value of 10:1. The overhead weight
rate is specified as 894 lb/hr. The duties are calculated to meet these specifications.
The effect of the increased flow rates in the column will be seen in the tray flooding
factor and the downcomer backups. These parameters are calculated from the tray
configuration by the tray rating option.
Input Data This simulation uses the default English set of units. The PRINT option requests
output of weight flow rates because the feed and specified product rates are in lb/hr.
The unit is modeled as a conventional column and uses the default IO solution
method. The tray rating calculations are specified with the TRATE statement which
supplies the mechanical details of the trays.
The CHEMDIST algorithm can be used in place of the IO. This method solves more
difficult, non-ideal applications, although run times may be longer. Both algorithms
produce identical results.
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February 1991
Input Data File:
Results The column produces an acetic acid/water product from the bottom of the column
which contains about 0.5 weight % isobutanol. The overhead isobutanol product
contains about 1 weight % acetic acid.
The condenser and reboiler duties are -5.36 and 4.92 MM Btu/hr respectively. The
highest flooding factor is 72% on tray 8. The largest downcomer backup is less than
30% of the tray spacing.
Conclusions The column can handle the increased throughput as long as the calculated duties
are available. The increased internal flow rates will not cause flooding.
Output The column summary shows the duties and the liquid and vapor rates. The tray vapor
and liquid rate output gives the densities and the volume and weight rates.
The tray rating output shows the calculated loads, flooding factors, pressure drops,
and downcomer backups for each tray in the column.
The stream output shows the feed and product compositions and conditions.
PRINT RATE=M,W,PERCENT=M,W
COMPONENT DATA
LIBID 1,IBUTANOL/2,HOAC/3,H2O
THERMO DATA
METHOD KVALUE=VANLAAR,ENTHALPY=LIBRARY
KVALUE
VANLAAR 1,2,-1.16,-0.463/1,3,3.63,1.14/2,3,.130,0.618
STREAM DATA
PROP STREAM=1,TEMP=292,PRES=26.1,PHASE=L,COMP(W)=525/2095
PROP STREAM=2,PHASE=L,TEMP=120,PRES=24.3,COMP(W)=3,900
NAME 1,FEED/2,SEC FEED/3,OVERHEAD/4,BOTTOMS
COLUMN UID=C-47,NAME=AZEO COL
FEED 1,8/2,2
PARA TRAY=10
COND TYPE=BUBB,PRES=20.7
HEAT 1,1/2,10
SPEC RRATIO,VALUE=10
SPEC STREAM=3,RATE(W),VALUE=894
VARY HEAT=1,2
ESTI MODEL=CONV,RRATIO=10
TRATE VALVE,SPACING=22,DIAM=28,NUMBER=55,&
DIAM(VALVE)=1.875,WEIR=1.8,DCC=1.4,DCW=2.15
END
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UNIT 1, C-47, AZEO COL


IN/OUT METHOD 6

COLUMN SUMMARY

------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- ------------------------
1 210.7 20.70 272.3 27.2L -5.3608
2 222.1 23.70 335.2 299.5 50.0L
3 236.0 24.00 341.9 312.4
4 238.1 24.30 345.2 319.2
5 239.5 24.60 350.2 322.5
6 241.4 24.90 358.6 327.4
7 244.1 25.20 372.6 335.9
8 248.0 25.50 391.4 349.9 42.0V
9 252.0 25.80 408.7 326.7
10 256.2 26.10 344.0 64.7L 4.9226


------------- ------------ ------------ -------- -------- ---------------- ------------------------ ------------------------
FEED 2 LIQUID 2 1.0000 49.96 0.0791
FEED 1 VAPOR 8 0.0000 41.97 0.8495


SPECIFICATIONS

----------------- -------- ------------ ------------------------- -------------------- --------------------
UNIT C-47 1 RRATIO 1.000E+01 1.000E+01
STRM 3 1 WT RATE 8.940E+02 8.940E+02
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February 1991
COLUMN RATES AND DENSITIES

UNIT 1, C-47, AZEO COL (CONT)

TRAY NET VAPOR RATES AND DENSITIES

----------------------------- RATES -----------------------------
TRAY MW ACTUAL DENS Z STD VAP ACTUAL
LB/FT3 FROM K M LB/HR M FT3/HR M FT3/HR
-------- ---------------- ------------------------ ---------------- --------------------- --------------------- ---------------------
2 32.829 0.10635 1.00000 9.834 113.672 92.467
3 20.953 0.06736 1.00000 6.547 118.566 97.193
4 20.407 0.06622 1.00000 6.514 121.129 98.361
5 21.176 0.06942 1.00000 6.828 122.370 98.358
6 22.574 0.07471 1.00000 7.392 124.254 98.935
7 24.915 0.08313 1.00000 8.368 127.450 100.656
8 28.636 0.09616 1.00000 10.019 132.772 104.197
9 30.495 0.10302 1.00000 9.963 123.982 96.713
10 34.675 0.11779 1.00000 11.929 130.555 101.271

TRAY NET LIQUID RATES AND DENSITIES

----------------------------- RATES -----------------------------
TRAY MW ACTUAL DENS Z STD LIQ ACTUAL
LB/FT3 FROM K M LB/HR FT3/HR GAL/MIN
-------- ---------------- ------------------------ ---------------- --------------------- --------------------- ---------------------
1 32.829 50.665 0.00000 8.940 163.538 21.999
2 19.550 58.313 0.00000 6.553 106.657 14.010
3 19.068 59.092 0.00000 6.520 104.358 13.756
4 19.799 59.074 0.00000 6.834 109.022 14.424
5 21.126 59.011 0.00000 7.398 117.500 15.629
6 23.352 58.918 0.00000 8.374 132.201 17.720
7 26.906 58.780 0.00000 10.025 157.072 21.264
8 32.164 58.584 0.00000 12.589 195.624 26.792
9 35.611 58.449 0.00000 14.555 225.082 31.047
10 40.590 58.248 0.00000 2.626 40.416 5.621
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TRAY RATING RESULTS

UNIT 1, C-47, AZEO COL (CONT)

TRAY RATING MECHANICAL DATA

SECTION TRAY DIAM TRAY SPACE SF ------------- TRAY ----------------
NUMBERS IN PASSES IN TYPE METAL THK, GA
------------- ----------------- -------- ------------ --------- -------- --------- --------- -------------
1 1 - 10 28. 1 22. 1.00 V1 SS 14.000

SECTION NO VALVES VALVE CAP TO SIEVE UNIT ++ WEIR HT DC CLEAR
OR CAPS THK,GA CAP, IN PCT DIA, IN IN IN
------------- ----------------- ------------ ------------- --------- ------------- ------------- ----------------
1 55 16.000 N/A N/A 1.875 1.800 1.400

++ DIAMETER OF VALVES, SIEVE HOLES, OR BUBBLE CAPS

SECTION DOWNCOMER WIDTHS, IN SLOPED DC WIDTHS, IN
SIDE CENTER OFF-CTR OFF-SIDE SIDE CENTER OFF-CTR OFF-SIDE
------------- --------- ------------ ------------- ---------------- --------- ------------ ------------- ----------------
1 2.15 N/A N/A N/A N/A N/A N/A N/A

TRAY RATING RESULTS

PRES DOWNCOMER
TRAY VAPOR LIQUID VLOAD DIAM FF DROP GPM/LWI BACKUP, IN
-------- --------- ------------ --------- ------------ -------- ------------ ---------------- --------------------
2 27.00 14.01 0.918 28.0 59.9 0.090 0.9 4.90
3 27.32 13.75 0.915 28.0 59.9 0.091 0.9 4.88
4 27.32 14.42 0.937 28.0 60.8 0.094 1.0 4.98
5 27.48 15.63 0.978 28.0 62.8 0.100 1.0 5.18
6 27.96 17.72 1.051 28.0 66.4 0.110 1.2 5.54
7 28.94 21.26 1.172 28.0 72.4 0.129 1.4 6.18
8 30.51 26.79 1.351 28.0 81.3 0.160 1.8 7.23
9 28.13 31.05 1.264 28.0 76.4 0.148 2.1 6.97
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STREAM WEIGHT FLOW RATES
STREAM WEIGHT COMPOSITIONS (%)
STREAM ID 1 2 3 4
NAME FEED SEC FEED OVERHEAD BOTTOMS

FLUID RATES, LB/HR
1 IBUTANOL 525.0000 0.0000 524.9620 0.0381
2 HOAC 2095.0000 0.0000 8.6277 2086.3716
3 H2O 0.0000 899.9999 360.4019 539.5975

TOTAL RATE, LB/HR 2620.0000 899.9999 893.9915 2626.0071

TEMPERATURE, F 292.0000 120.0000 210.6955 256.2494
PRESSURE, PSIA 26.1000 24.3000 20.7000 26.1000
STREAM ID 1 2 3 4
NAME FEED SEC FEED OVERHEAD BOTTOMS

1 IBUTANOL 20.0382 0.0000 58.7211 0.0015
2 HOAC 79.9618 0.0000 0.9651 79.4503
3 H2O 0.0000 100.0000 40.3138 20.5482

TOTAL RATE, LB/HR 2620.0000 899.9999 893.9915 2626.0071

TEMPERATURE, F 292.0000 120.0000 210.6955 256.2494
PRESSURE, PSIA 26.1000 24.3000 20.7000 26.1000
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PHENOL EXTRACTION
PLANT
Benzene is used to extract phenol from an aqueous solution. The flowsheet
consists of a liquid-liquid extraction column to extract the phenol and a
rerun tower to recover the benzene. You wish to model the operation based
on 99.5 % pure phenol recovery.
Process
Data
The process flowsheet for the phenol extraction system is shown in Figure
C5.1. After extraction the spent solvent is heated and depressured through
a let-down valve. It is then distilled to recover 99.5% pure phenol as a bottom
product and a purified benzene stream for recycle. The feed stream infor-
mation and process conditions are given in Tables C5.1 and C5.2.
Table C5.1
Component
Composition
(lbmole/hr)
Benzene 0.1001
PHENOL 1.9059
Water 160.6000
Benzoic Acid 0.0002
Table C5.2
Process Conditions
Temperature (F) 86
Pressure (psia) 21.3
Methods
and Data
K-values are computed using the NRTL liquid activity coefficient method for
both VLLE and VLE systems. Missing binary interaction parameters are
supplied using the UNIFAC group contribution method. The VLLE system
is used for the entire flowsheet except for the rerun column, where the VLE
system is used. Ideal vapor phase fugacities are assumed and pure compo-
nent transport properties are used.
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PRO/ II APPLICATION BRIEFS PHENOL EXTRACTION PLANT C5 -1
Febr u ar y 1 9 9 2
Simulation
Model
The phenol extraction process flowsheet is shown in Figure C5.1 and the
corresponding PRO/II input is shown on the following pages. The liquid-
liquid extractor is modeled as a column with four theoretical stages. The
aqueous feed is introduced on the top stage and benzene solvent on the
bottom stage.
The heat exchanger heats the spent solvent stream to 200 F in order to
reduce the duty of the rerun column reboiler.
The rerun column is modeled as a conventional distillation column with 10
theoretical stages, including the condenser and the reboiler. Both con-
denser and reboiler duties are varied to achieve the specified reflux ratio and
phenol recovery purity.
A calculator is used to determine the amount of benzene carryover from the
recycle stream, which then is discharged from a splitter to maintain the
overall mass balance.
Input Data The phenol recovery specification is met by varying the reboiler duty (Note
1) and the VLE system is specified using the METHOD keyword (Note 2).
Figure C5.1
Phenol Treatment Plant
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C5 -2 PHENOL EXTRACTION PLANT PRO/ II APPLICATION BRIEFS
Febr u ar y 1 9 9 2
Input Data File
TITLE PROBLEM=C5,PROJECT=APPBRIEFS, USER=SIMSCI
DESC PHENOL WASTE TREATMENT PLANT
DIMEN ENGLISH
COMPONENT DATA
LIBID 1,BENZENE/2,PHOH/3,H2O/4,BENZOIC
THERMODYNAMIC DATA
METHOD SYSTEM(VLLE)=NRTL, TRANS=PURE, PHI=IDEA, &
SET=SET01, DEFAULT
KVALUE(VLE) FILL=UNIF
KVALUE(LLE) FILL=UNIF
METHOD SYSTEM(VLE)=NRTL, TRANS=PURE, PHI=IDEA, SET=SET02
KVALUE(VLE) FILL=UNIF
STREAM DATA
PROP STREAM=1,TEMP=86,PRES=21.3,PHASE=M,RATE(M)=162.6, &
COMP(M)=1,0.1001/2,1.9059/3,160.6/4,0.0002, &
NORMALIZE
PROP STREAM=8,TEMP=86,PRES=21.3,PHASE=M, &
RATE(M)=60, &
COMP(M)=1,218.898/2,0.0022/3,1.1,NORMALIZE
NAME 1,WASTE WATER/8,SOLVENT
UNIT OPERATIONS
COLUMN UID=T-1,NAME=LLEX
PARAM TRAY=4,LLEX=30
FEED 1,1/8,4
PSPEC PTOP=60,DPCOL=10
TOLERANCE LLE=0.000005,COMP=0.000005
HX UID=HX-1,NAME=PREHEATER
OPER CTEMP=200
UTIL STEAM, TSAT(C)=200
VALVE UID=V-1,NAME=LET-DOWN
FEED 4
PROD V=5
OPER PRES=20
COLUMN UID=T-2,NAME=RERUN COLUMN
PARAM TRAY=10,IO=50
FEED 5,5,SEPA
COND TYPE=TFIX,PRESS=12,TEMP=100
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DUTY 1,1/2,10
SPEC COLUMN=T-2,RRATIO,VALUE=5.0
SPEC STREAM=7,COMP=2,FRACTION,VALUE=0.995 $ NOTE 1
VARY DUTY=1,2
METHOD SET=SET02 $ NOTE 2
PUMP UID=P-1,NAME=PUMP
FEED 6
PROD L=6X
OPER PRESS=70,EFF=65
CALC UID=C-1,NAME=CALCULATOR
DEFINE P(1), AS, STREAM=1, RATE, COMP=1
PROCEDURE
R(1)=P(1)-P(2)-P(3)
RETURN
SPLITTER UID=S-1,NAME=DISCHARGE
FEED 6X
PROD L=8,L=8B
SPEC STREAM=8B,COMP=1,RATE,RATIO,CALC=C-1,R(1),VALUE=1

Results The flowsheet solves in three recycle trials. The liquid-liquid extraction
column removes 99.5% of the phenol. The recycled rate converges to 60.10
lbmole/hr of solvent to the extraction column. The rerun column can purify
the spent benzene solvent to 99.33% purity for recycling and recover 99.5%
pure phenol in the bottom product stream.
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Febr u ar y 1 9 9 2
Liquid-liquid Extraction Column
Output
UNIT 1, T-1, LLEX


LLEX METHOD 11

COLUMN SUMMARY

TRAY TEMP PRESSURE L2 L1 FEED PRODUCT DUTIES
---------------- ---------------- -------------------- -------------------- -------------------- ---------------- -------------------- ----------------
--------
1 87.2 60.00 161.1 162.6L 62.0L
2 88.9 63.33 160.7 60.5
3 91.5 66.67 160.6 60.1
4 95.2 70.00 60.0 60.1L 160.7H


TYPE STREAM PHASE FROM TO LIQUID FLOW RATES HEAT
RATES
---------------- ------------------------ ---------------- ------------ ------------ ---------------- ---------------------------- --------------------
--------
FEED 1 LIQUID 1 1.0000 162.60 0.1611
FEED 8 LIQUID 4 1.0000 60.10 0.1343
PROD 3 L1OVHD 1 62.02 0.1124
PROD 2 LIQUID 4 160.68 0.1830

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UNIT 2, HX-1, PREHEATER


LMTD, F 244.087
F FACTOR (FT) 1.000
MTD, F 244.087
U*A, BTU/HR-F 995.485

------------------------ ------------------------
STEAM, LB-MOL/HR 16.163 16.163
SATURATION PRESSURE, PSIA 224.887
SATURATION TEMPERATURE, F 392.000

------------------------ ------------------------
FEED 3
LIQUID PRODUCT 4
M LB/HR 4.851 4.851
CP, BTU/LB-F 0.424 0.468
M LB/HR 4.851 4.851
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Rerun Column Output
UNIT 4, T-2, RERUN COLUMN


IN/OUT METHOD 14

COLUMN SUMMARY

---------------- ---------------- -------------------- -------------------- -------------------- -------------------- -------------------- ----------------
----------------
1 100.0 12.00 300.6 60.1L -5.7216
2 177.0 15.00 359.0 360.7
3 179.7 15.63 360.0 419.1
4 182.1 16.25 360.5 420.2 3.1V
5 184.6 16.88 420.9 417.5 58.9L
6 186.9 17.50 421.1 419.0
7 189.9 18.13 408.8 419.2
8 206.0 18.75 306.9 406.9
9 303.5 19.38 248.4 305.0
10 373.7 20.00 246.5 1.9L 5.5330


TYPE STREAM PHASE FROM TO LIQUID FLOW RATES HEAT
RATES
---------------- ------------------------ ---------------- ------------ ------------ ---------------- ---------------------------- --------------------
--------
FEED 5 MIXED 5 0.9504 62.02 0.3554
PROD 6 LIQUID 1 60.12 0.1329
PROD 7 LIQUID 10 1.91 0.0337


SPECIFICATIONS

---------------------------------------- ------------ ------------ -------------------------------- ------------------------ ----------------------------
UNIT T-2 1 RRATIO 5.000E+00 5.000E+00
REFLUX RATIOS

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Product Stream Summary
STREAM ID 1 2 3 4

1 BENZENE 0.1001 0.0712 59.7280 59.7280
2 PHOH 1.9058 0.0100 1.8958 1.8958
3 H2O 160.5939 160.5937 0.4009 0.4009
4 BENZOIC 1.9999E-04 4.2843E-11 1.9999E-04 1.9999E-04


TEMPERATURE, F 86.0000 95.2339 87.1630 200.0000
PRESSURE, PSIA 21.3000 70.0000 60.0000 55.0000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000 1.0000

STREAM ID 5 6 6X 7
PHASE MIXED LIQUID LIQUID LIQUID

1 BENZENE 59.7280 59.7185 59.7185 9.3441E-03
2 PHOH 1.8958 3.1432E-06 3.1432E-06 1.8958
3 H2O 0.4009 0.4009 0.4009 5.3617E-12
4 BENZOIC 1.9999E-04 2.5373E-16 2.5373E-16 1.9999E-04


TEMPERATURE, F 190.2282 100.0000 100.7238 373.7377
PRESSURE, PSIA 20.0000 12.0000 70.0000 20.0000
MOLE FRAC VAPOR 0.0263 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 0.9737 1.0000 1.0000 1.0000
STREAM ID 8 8B
PHASE LIQUID LIQUID

1 BENZENE 59.6990 0.0195
2 PHOH 3.1422E-06 1.0266E-09
3 H2O 0.4008 1.3094E-04
4 BENZOIC 2.5365E-16 8.2873E-20


TEMPERATURE, F 100.7238 100.7238
ENTHALPY, MM BTU/HR 0.1343 4.3874E-05

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DECANT COLUMN
A mixed alcohol/water feed stream, which also contains di-isopropyl ether, is to be
distilled to produce a bottoms product consisting primarily of water. The amount of
di- isopropyl ether in this bottoms product is specified to contain less than 0.01
percent of that in the column feed.
Process
Data
Figure C6.1
Decant Column
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February 1992
Table C6.1
Component Feed (lb moles/hr)
Di-isopropyl ether 20.0
Isopropanol 60.0
Water 900.0
Butanol 20.0
Total 1000
Temperature (F)
140
Pressure (psia)
20
Table C6.2
Process Information
Pressure (psia)
Column Condenser 15.5
Column Top Tray 15.5
Column Pressure Drop 0.5

Methods
andData
The K-values for the system are computed using a special ALCOHOL thermody-
namic data package. This package uses a unique set of NRTL binary data. Enthalpies
and densities are calculated using library values. Vapor phase properties are taken
to be ideal, and heat of mixing effects are taken into account.
Simulation
Model
retical trays (including the condenser and reboiler). The feed is introduced on stage
5. The presence of two liquid phases in the separation column is handled by the
CHEMDIST algorithm. Rigorous VLLE stage-by-stage calculations are CPU intensive
and in this case, unnecessary.The overhead bubble point condenser is therefore
modeled using VLLE thermodynamics, while the rest of the column uses VLE
thermodynamics. The water-rich phase from the condenser is totally withdrawn and
half of the DIPE-rich phase is returned as reflux to the column. A performance
specification is used for the DIPE- rich phase reflux rate, the condenser duty being
the variable calculated to meet this specification. The reboiler duty is used as a
variable calculated to meet the specification on the DIPE recovery on the bottoms
product. The initial estimate generator MODEL=CHEM is used with tray temperature
estimates.
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C6-2 DECANT COLUMN PRO/II APPLICATION BRIEFS
February 1992
Input Data English units are used for the simulation. The print option for the column tray molar
compositions is selected (Note 1). Note how the DIPE-rich phase reflux ratio
specification is met (Note 2), and how the column bottom product specification is met
(Note 3). Two separate thermodynamic sets (VLE and VLLE) are selected (Note 4).
Input Data File
TITLE PROJECT=APPBRIEFS,PROBLEM=C6, &
DESC DISTILLATION COLUMN WITH DECANTER
DESC (USING CHEMDIST 3-PHASE DISTILLATION)
DIMEN ENGLISH
COMPONENT DATA
LIBID 1,DIPE/2,IPA/3,H2O/4,BUTANOL
THERMODYNAMIC DATA
METHOD KVALUE(VLE)=NRTL,ENTH(V)=SRKM,ENTH(L)=IDEA, &
DEFAULT
KVALUE(VLE) BANK=ALCOHOL,SIMSCI
METHOD KVALUE(VLLE)=NRTL,ENTH(V)=SRKM,ENTH(L)=IDEA, &
DENS(V)=SRKM,DENS(L)=IDEA,L1KEY=1, &
L2KEY=3,SET=SET02
KVALUE(VLLE) BANK=ALCOHOL,SIMSCI
STREAM DATA
PROP STREAM=1,TEMP=150,PRES=20,PHASE=M,RATE(M)=1000, &
COMP(M)=1,20/2,60/3,900/4,20,NORMALIZE
NAME 1,FEED/2,DIPE PROD/3,WATER PHASE/4,BTM PROD
UNIT OPERATIONS
COLUMN UID=COL1,NAME=COLUMN
PARAM TRAY=11,CHEMDIST=25,CUTOFF=0.1
FEED 1,5,SEPA
PROD OVHD(L1)=2,25,BTMS=4,L2DRAW=3,1,6
COND TYPE=BUBB,PRESS=15.5
DUTY 1,1,1/2,11,11
PRINT PROP=PART,COMP=M,ITER=PART,XYDATA,KVALUE $NOTE 1
ESTI MODEL=CHEM
TEMP 1,149/2,150/11,190
SPEC STREAM=4,RATE(M),COMP=1, RATIO, & $NOTE 2
REFFEED,RATE(M),COMP=1,VALUE=0.0001
SPEC COLUMN=COL1,PHASE=L1,RRAT(M),VALUE=1 $NOTE 3
VARY DUTY=1,2
METHOD SET=SET02,1/SET01,11 $NOTE 4
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Results The column solves in 6 iterations. The reboiler duty required is 1.6146 MM Btu/hr,
while the condenser duty is 0.7544 MM Btu/hr.
1) Column Summary
2) Column Tray Molar Compositions
3) Condenser Two Liquid Phase Rates and Compositions
4) Stream Summary
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Column Summary
UNIT 1, COL1, COLUMN


CHEM METHOD 6

COLUMN SUMMARY

---------------- ---------------- -------------------- -------------------- -------------------- -------------------- -------------------- ----------------------------
1* 146.2 15.50 24.2 24.2L -0.7544
5.1L
2 148.4 15.50 24.7 53.5
3 149.6 15.56 24.8 54.0
4 150.5 15.61 27.5 54.1
5 131.6 15.67 996.9 56.8 1000.0L
6 142.2 15.72 1006.5 26.2
7 168.8 15.78 1034.3 35.7
8 185.9 15.83 1053.9 63.6
9 189.7 15.89 1058.4 83.2
10 190.9 15.94 1059.4 87.7
11 193.8 16.00 88.7 970.7L 1.6146


---------------- ------------------------ ---------------- ------------ ------------ ---------------- ---------------------------- --------------------------------
FEED 1 LIQUID 5 1.0000 1000.00 2.4093
PROD 2 L1OVHD 1 24.20 0.1326
PROD 3 L2DRAW 1 5.08 0.0109
PROD 4 LIQUID 11 970.72 3.1260


SPECIFICATIONS

---------------------------------------- ------------ ------------ ------------------------------------ ------------------------ ------------------------
STRM 4 11 1 MOL RATIO 1.000E-04 1.001E-04
UNIT COL1 1 MOL RRATIO 1.000E+00 1.000E+00
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UNIT 1, COL1, COLUMN (CONT)


TRAY 1 TRAY 2
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 DIPE 0.74724 0.69597 0.87145 0.74729
2 IPA 0.08795 0.09167 0.07660 0.08796
3 H2O 0.16452 0.21233 0.05041 0.16453
4 BUTANOL 2.7968E-04 3.5846E-05 0.00154 2.1428E-04

RATE, LB-MOL/HR 24.20 0.00 24.70 53.48

TRAY 3 TRAY 4
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 DIPE 0.88651 0.76919 0.88076 0.77632
2 IPA 0.06504 0.07992 0.05990 0.07461
3 H2O 0.04303 0.15008 0.04251 0.14647
4 BUTANOL 0.00542 8.1248E-04 0.01683 0.00259

RATE, LB-MOL/HR 24.82 53.98 27.52 54.10

TRAY 5 TRAY 6
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 DIPE 0.01844 0.77877 0.01411 0.70093
2 IPA 0.06046 0.07167 0.06547 0.10287
3 H2O 0.90076 0.14131 0.89985 0.18523
4 BUTANOL 0.02034 0.00826 0.02057 0.01097

RATE, LB-MOL/HR 996.93 56.80 1006.47 26.22

TRAY 7 TRAY 8
COMPONENT X Y X Y
-------------------- -------------------- -------------------- --------------------
1 DIPE 0.00571 0.39694 0.00111 0.09273
2 IPA 0.07840 0.23277 0.08652 0.36961
3 H2O 0.89486 0.35036 0.89103 0.50998
4 BUTANOL 0.02103 0.01993 0.02134 0.02767

RATE, LB-MOL/HR 1034.33 35.75 1053.89 63.61
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TRAY 9 TRAY 10
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 DIPE 1.6178E-04 0.01405 2.1639E-05 0.00193
2 IPA 0.08757 0.40407 0.08390 0.40044
3 H2O 0.89066 0.55187 0.89358 0.56485
4 BUTANOL 0.02161 0.03001 0.02250 0.03278

RATE, LB-MOL/HR 1058.39 83.17 1059.39 87.67

TRAY 11
COMPONENT X Y
------------------------ ----------------------------
1 DIPE 2.0630E-06 2.3621E-04
2 IPA 0.05931 0.35305
3 H2O 0.92009 0.60342
4 BUTANOL 0.02060 0.04329

RATE, LB-MOL/HR 970.72 88.67
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TWO LIQUID PHASE TRAY RATES AND COMPOSITIONS

TRAY 1
------------------------ ------------------------ ------------------------ ----------------------------
1 DIPE 39.9384 0.0275 0.825081 0.005406
2 IPA 4.5639 0.1403 0.094286 0.027618
3 H2O 3.8883 4.9111 0.080327 0.966950
4 BUTANOL 0.0148 1.318E-04 0.000306 2.59E-05

TOTAL 48.4054 5.0790
FRACTION 0.905038 0.094962
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STREAM MOLAR COMPONENT RATES FEBRUARY 1992
===============================================================================

STREAM ID 1 2 3 4
NAME FEED DIPE PROD WATER PHASE BTM PROD

1 DIPE 20.0000 19.9684 0.0275 2.0026E-03
2 IPA 60.0000 2.2819 0.1403 57.5776
3 H2O 900.0000 1.9441 4.9111 893.1435
4 BUTANOL 20.0000 7.4132E-03 1.3178E-04 19.9942

TEMPERATURE, F 150.0000 146.1917 146.1917 193.7524
PRESSURE, PSIA 20.0000 15.5000 15.5000 16.0000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000 1.0000
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SHIFT AND METHANATOR
REACTORS
Crude gas from a BCG/Lurgi slagging coal gasifier is upgraded by shift conversion
and methanation. The gasifier is to change to Pittsburgh No. 8 coal, and you have
to determine the effect of this change on the downstream shift and methanation units.
Process
Data
The flow sheet is shown in Figure C7.1. The feed gas is mixed with steam before
being fed to the shift reactor. The product gas is cleaned and dried to remove water,
carbon dioxide, and hydrogen sulfide and is then fed to the methanator reactor. Both
the shift and methanator reactors operate adiabatically.
The feed gas analysis is taken from Hydrocarbon Processing, April 1981, p. 115 and
is shown in Table C7.1.
Figure C7.1
Reactor Flow Sheet
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PRO/II APPLICATION BRIEFS SHIFT AND METHANATOR REACTORS C7-1
February 1992
Table C7.1
Component lb mole/hr Component lb mole/hr
Carbon monoxide
54.9
Methane
7.1
Hydrogen
28.9
Nitrogen
4.4
Carbon dioxide
3.4
Hydrogen sulfide
0.5
Temperature (F)
600
Pressure (psia)
340
Methods
and Data
Soave-Redlich-Kwong is used for equilibrium and enthalpy calculations employing
built-in binary interaction data from the PRO/II library. The API method is used for
liquid densities. Transport properties are based on blended values of pure compo-
nent library values.
Equilibrium data for both the shift and methanation reactions are built into the PRO/II
reactor model.
Simulation
Model
The shift reactor operates with an equilibrium temperature approach of 50 F. The
methanator reactor models both the shift and methanation reactions at 95% of the
equilibrium conversion.
The gas clean-up is modeled in a stream calculator unit by specifying the fraction of
each component which passes to the methanator.
Input Data Printout is requested in metric units in addition to the default English units used for
the input data.
The shift and methanator reactor options are specified on the RXCALCULATION
and STOICHIOMETRY statements to retrieve the stored reaction data.
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C7-2 SHIFT AND METHANATOR REACTORS PRO/II APPLICATION BRIEFS
February 1992
Input Data File
DESC REF: HYDROCARBON PROCESSING, APRIL 1981, P 115
OUTDIMENSION METRIC
COMPONENT DATA
LIBID 1,H2O/2,CO/3,H2/4,CO2/5,C1/6,N2/7,H2S
THERMODYNAMIC DATA
METHOD SYSTEM=SRK,DENSITY(L)=API,TRANS=LIBR
KVALUE BANK=SIMSCI
STREAM DATA
COMP=2,54.9/28.9/3.4/7.1/4.4/0.5
PROP STREAM=2,TEMP=435,PRES=340,COMP=60.4
UNIT OPERATIONS
REACTOR UID=RX-1,NAME=SHIFT
FEED 1,2
PROD V=3
RXCALCULATION EQUILIBRIUM,MODEL=SHIFT
OPERATION ADIABATIC,DP=5
STOICHIOMETRY SHIFT
APPROACH DT=50
STCALC UID=STC1,NAME=GAS CLEAN-UP
FEED 3
OVHD STREAM=5,DP=5,TEMP=450.
BTMS STREAM=4,DP=5,TEMP=240.
FOVHD 1,,0.01/2,3,1./4,,0.01/5,6,1.0/7,,0.0001
REACTOR UID=RX-2,NAME=METHANATOR
FEED 5
PROD V=6
RXCALCULATION EQUILIBRIUM,MODEL=METHANATION
OPERATION ADIA,DP=10,DUTY=-1.75
STOICHIOMETRY SHIFT
APPROACH FRACTION=0.95
STOICHIOMETRY METHANATION
APPROACH FRACTION=0.95
END
Results Most of the carbon monoxide and hydrogen in the feed is converted to methane. Less
than 2% of the feed carbon monoxide remains in the product gas stream. The carbon
dioxide and hydrogen sulfide are removed with the water from the clean-up section.
Output The output is shown for both the reactors and for the stream calculator unit. The
stream output shows the details of all the streams in the flow sheet. All the output is
shown in the alternate (metric) units.
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Shift Reactor Summary
UNIT 1, RX-1, SHIFT


REACTOR TYPE ADIABATIC SHIFT CONVERTER
DUTY, M*KCAL/HR -1.863E-06
TOTAL HEAT OF REACTION AT 25.00 C, M*KCAL/HR -0.1517

INLET OUTLET
--------------------- ---------------------
FEED 1
2
VAPOR PRODUCT 3
TEMPERATURE, C 266.13 491.91
PRESSURE, KG/CM2 23.9044 23.5528

REACTION DATA

----------------- RATES, KG-MOL/HR ----------------- FRACTION
------------------------------------ --------------------- --------------------- --------------------- ---------------------
1 H2O 27.3970 -15.4285 11.9685 0.5631
2 CO 24.9022 -15.4285 9.4737 0.6196
3 H2 13.1088 15.4285 28.5373
4 CO2 1.5422 15.4285 16.9707
5 C1 3.2205 0.0000 3.2205
6 N2 1.9958 0.0000 1.9958
7 H2S 0.2268 0.0000 0.2268

TOTAL 72.3933 0.0000 72.3933

KG-MOL/HR FRACTION
------------------------------------ --------------------- --------------------- ---------------------
2 CO SHIFT 15.4285 0.6196


--------------------- RATES, KG/HR --------------------- FRACTION
------------------------------------ --------------------- --------------------- --------------------- ---------------------
1 H2O 493.5562 -277.9442 215.6121 0.5631
2 CO 697.5356 -432.1673 265.3683 0.6196
3 H2 26.4274 31.1038 57.5312
4 CO2 67.8728 679.0076 746.8804
5 C1 51.6665 0.0000 51.6665
6 N2 55.9085 0.0000 55.9085
7 H2S 7.7290 0.0000 7.7290

TOTAL 1400.6959 0.0000 1400.6959
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Methanator Reactor Summary
UNIT 3, RX-2, METHANATOR
REACTOR TYPE ADIABATIC METHANATOR
DUTY, M*KCAL/HR -0.4410
TOTAL HEAT OF REACTION AT 25.00 C, M*KCAL/HR -0.4407
INLET OUTLET
--------------------- ---------------------
FEED 5
VAPOR PRODUCT 6
PRESSURE, KG/CM2 23.2013 22.4982
REACTION DATA
----------------- RATES, KG-MOL/HR ----------------- FRACTION
------------------------------------ --------------------- --------------------- --------------------- ---------------------
1 H2O 0.1197 8.8629 8.9826
2 CO 9.4737 -8.9997 0.4740 0.9500
3 H2 28.5373 -26.7255 1.8118 0.9365
4 CO2 0.1697 0.0684 0.2381
5 C1 3.2205 8.9313 12.1518
6 N2 1.9958 0.0000 1.9958
7 H2S 2.268E-05 0.0000 2.268E-05
TOTAL 43.5167 -17.8626 25.6541
KG-MOL/HR FRACTION
------------------------------------ --------------------- --------------------- ---------------------
2 CO METHANATION 8.9313 0.9427
2 CO SHIFT 0.0684 0.0072
--------------------- RATES, KG/HR --------------------- FRACTION
------------------------------------ --------------------- --------------------- --------------------- ---------------------
1 H2O 2.1561 159.6646 161.8207
2 CO 265.3683 -252.0919 13.2764 0.9500
3 H2 57.5312 -53.8786 3.6526 0.9365
4 CO2 7.4688 3.0120 10.4808
5 C1 51.6665 143.2850 194.9515
6 N2 55.9085 0.0000 55.9085
7 H2S 7.729E-04 0.0000 7.729E-04
TOTAL 440.1002 -0.0089 440.0913
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Stream Calculator
UNIT 2, STC1, GAS CLEAN-UP
NET DUTY, M*KCAL/HR -0.29734


3 1.000
TOTAL RATE, KG-MOL/HR 72.393
PRESSURE, KG/CM2 23.553
MOL FRAC H/C LIQUID 0.00000
MOL FRAC WATER 0.00000
ENTHALPY, M*KCAL/HR 0.42783

PRODUCT

MIXED 4
VAPOR 5
TOTAL RATE, KG-MOL/HR 43.517 28.877 N/A
TEMPERATURE, C 232.222 115.556 N/A
PRESSURE, KG/CM2 23.201 23.201 N/A
PRESSURE DROP, KG/CM2 0.352 0.352 N/A
ENTHALPY, M*KCAL/HR 0.02550 0.10499 N/A
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Feed And Product Stream Output
STREAM ID 1 2 3 4
NAME
PHASE DRY VAPOR WATER VAPOR WET VAPOR MIXED

1 H2O 0.0000 27.3970 11.9685 11.8488
2 CO 24.9022 0.0000 9.4737 0.0000
3 H2 13.1088 0.0000 28.5373 0.0000
4 CO2 1.5422 0.0000 16.9707 16.8010
5 C1 3.2205 0.0000 3.2205 0.0000
6 N2 1.9958 0.0000 1.9958 0.0000
7 H2S 0.2268 0.0000 0.2268 0.2268
TEMPERATURE, C 315.5556 223.8889 491.9096 115.5556
PRESSURE, KG/CM2 23.9044 23.9044 23.5528 23.2013
MOLE FRAC VAPOR 1.0000 1.0000 1.0000 0.6376
MOLE FRAC TOTAL LIQUID 0.0000 0.0000 0.0000 0.3624
MOLE FRAC H/C LIQUID 0.0000 0.0000 0.0000 0.0000
MOLE FRAC FREE WATER 0.0000 0.0000 0.0000 0.3624
STREAM ID 5 6
NAME
PHASE WET VAPOR WET VAPOR

1 H2O 0.1197 8.9826
2 CO 9.4737 0.4740
3 H2 28.5373 1.8118
4 CO2 0.1697 0.2381
5 C1 3.2205 12.1518
6 N2 1.9958 1.9958
7 H2S 2.2680E-05 2.2680E-05
TOTAL RATE, KG-MOL/HR 43.5167 25.6541
TEMPERATURE, C 232.2223 308.6401
PRESSURE, KG/CM2 23.2013 22.4982
ENTHALPY, M*KCAL/HR 0.0255 0.1621
MOLE FRAC TOTAL LIQUID 0.0000 0.0000
MOLE FRAC H/C LIQUID 0.0000 0.0000
MOLE FRAC FREE WATER 0.0000 0.0000
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February 1992
Non-i deal Chemi cal
Separati on
Acetic acid is widely used throughout the chemical industries, and
much of it is reacted with ethylene to produce acetic anhydride. The
major use of acetic anhydride is in making vinyl acetate and other es-
ters. In this problem, a distillation is set up to separate a 99.9 mole
% pure acetone distillate from acetic acid and acetic anhydride. Af-
ter passing through the still the overhead is cooled by an attached
heat exchanger and the bottoms is heated by another attached heat
exchanger. Water is used on the condenser heat exchangers cold
side. Steam is used on the reboiler heat exchangers hot side.
You have been asked to calculate the flowrates and compositions of
the product streams, the condensers cooling duty, the heating duty
of the reboiler, the condenser cooling water flowrate and the reboiler
steam flowrate.
Process
Data
The flowsheet is shown in Figure C8.1. The feed stream is given in
Table C8.1 and the process information in Table C8.2.
1
8
2
3
4
5
6
7
S T I L L _ T O W E R
C O N D E N S E R _ H X
R E B O I L E R _ H X
F E E D _ S T R E A M
O V H D _ S T R E A M
B T M S _ S T R E A M
Fi gure C8. 1: Chemi cal Separati on Fl owsheet
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PRO/II APPLICATION BRIEFS Non-i deal Chemi cal Separati on C8-1
1995
Tabl e C8. 1: Feed Stream Condi ti ons
Stream FEED_STREAM
Rate 15000 kg/hr
Acetone Composition by Weight 46%
Acetic Acid Composition by Weight 27%
Acetic Anhydride Composition by Weight 27%
Pressure 101.325 KPA
Temperature 348 K
Tabl e C8. 2: Process Informati on
Col umn STILL_TOWER
Number of Trays 8
Feed Tray 4
Condenser Temperature 303 K
Molar Reflux Ratio 1
Purity 99.9 t 0.0001 Acetone in
the overhead
Top Tray Pressure Equal to feed stream
pressure
Overhead Product Rate Initial Estimate 6750 Kg/hr
Pressure Drop Across Column Minimal
Heat Exchanger CONDENSER_HX
Inlet Temperature 283 K
Outlet Temperature 293 K
Heat Exchanger REBOILER_HX
Saturated Stream Pressure 1101.3 kPa
Methods and
Data
The components present in the system are acetone, acetic acid, and
acetic anhydride. The NRTL thermodynamic system with the VLE
active option is chosen as it has interaction pair data which will more
accurately model the non-idealities in the mixture. The Hayden-
OConnell vapor fugacity option will be used to account for dimers of
the carboxylic (acetic) acid. However, not all binary interaction pairs
are immediately available. Any pairs not accounted for in the SimSci
databanks will be estimated using the UNIFAC group contribution
method.
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C8-2 Non-i deal Chemi cal Separati on PRO/II APPLICATION BRIEFS
1995
Si mul ati on
Model
The feed stream is fed onto tray 4 of the column. It is mandated that
half the molar flowrate into the condenser be withdrawn. Scoping
calculations predict that about 6750 kg/hr of overhead product will
leave the system. This column operates with a minimal pressure
drop across it. The inside-out algorithm is used to perform the tray-
by-tray calculations. The boiling point of acetone is 303K at 101.325
KPA, so it is safe to assume that that will be the condenser tempera-
ture due to the overhead purity specification.
The overhead product of the column is run through an attached heat ex-
changer. The condenser uses a simple heat exchanger model that has
a water utility on its cold side. The water enters at 283 K and exits at
293 K.
The bottoms product of the column is run through an attached heat
exchanger. The reboiler uses a simple heat exchanger model that
has a saturated steam utility on its hot side. The steam is pressur-
ized to 1101.3 KPA.
Additional output for the column separation factors by tray is re-
quested. This will verify that the column has not been oversized for
the mandated purity specification.
Input Data SI units are used throughout the simulation. The keyword input data
file is shown on the following page.
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Input Data Fi l e
TITLE PROJECT=C8, PROBLEM=APPBRIEFS, USER=SIMSCI, DATE=JUN94
DESC SEPARATION OF ACETONE FROM ACETIC ACID AND ACETIC ANHYDRIDE
DIMENSION SI
COMPONENT DATA
LIBID 1,ACETONE/2,ACETIC/3,AC2O
THERMODYNAMIC DATA
METHOD SYSTEM=NRTL, PHI=HOCV, SET=NRTL01
KVAL(VLE) FILL=UNIF
STREAM DATA
PROPERTY STREAM=FEED_STREAM, TEMPERATURE=348, PRESSURE=101.325, &
PHASE=M,RATE(WT)=15000,COMPOSITION(WT)=1,0.46/2,0.27/3,0.27
NAME FEED_STREAM,Acetone Acetic Acid Acetic Anhydride Mix/ &
OVHD_STREAM,Nearly Pure Acetone Distillate Product/ &
BTMS_STREAM,Acid Anhydride Bottoms Product
UNIT OPERATIONS
COLUMN UID=STILL_TOWER, NAME=Main Column
PARAMETER TRAY=8, IO=15
FEED FEED_STREAM,4
$ OVERHEAD PRODUCT RATE ESTIMATED FROM OVERALL MASS BALANCE
PRODUCT OVHD(WT)=OVHD_STREAM,6750,BTMS(M)=BTMS_STREAM
CONDENSER TYPE=TFIX, TEMPERATURE=303
HEATER=1,1/2,8
PRINT COMPONENT=M, WT, KEYLIGHT=1,1, KEYHEAVY=2,3
PLOT SFACTOR
ESTIMATE RRATIO=1, TTEMP=329, RTEMP=398
$ REFLUX RATIO MANDATED AS 1
$ DISTILLATE PURITY MANDATED AS 0.999 MOLE FRACTION ACETONE
SPEC RRAT, VALUE=1
SPEC STREAM=OVHD_STREAM,FRACTION, COMP=1, VALUE=0.999, ATOL=1E-4
VARY DUTY=1,2
DEFINE PTOP AS STREAM=FEED_STREAM, PRESSURE
HX UID=CONDENSER_HX, NAME=Condenser Model
UTILITY WATER, TIN=283, TEMPERATURE=293
ATTACH COLUMN=STILL_TOWER, TYPE=CONDENSER
HX UID=REBOILER_HX, NAME=Reboiler Model
UTILITY STEAM, PSAT=1101.3
ATTACH COLUMN=STILL_TOWER, TYPE=REBOILER
END
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Resul ts
Tabl e C8. 3: Tabl e of Sel ected Resul ts
Product Stream OVHD_STREAM
Rate 116.303 kg-mol/hr
Composition Acetone 116.187 kg-mol/hr
(99.9 mole%)
Acetic Acid .0698 kg-mol/hr
Acetic Anhydride .0465 kg-mol/hr
Product Stream BTMS_STREAM
Rate 109.6072 kg-mol/hr
Composition Acetone 2.613 kg-mol/hr
Acetic Acid 67.371 kg-mol/hr
Acetic Anhydride 39.624 kg-mol/hr
Reboi l er REBOILER_HX
Heating Requirement 7.771 GJ /hr
Hot Side Steam Rate 215.692 kg-mol/hr
Condenser CONDENSER_HX
Cold Side Water Rate 180833 kg/hr
Concl usi ons The simulation has produced a reasonable analysis of the material
energy balances in the column and its attached heat exchangers.
Product flowrates corresponded well to the estimates. The separa-
tion factor plot for the acetone/acetate split is shown in Figure C8.2.
Had the number of trays been too great, the graph would have
shown flat areas or even inflection points. It should be noted that the
separation factor plot can be a useful tool in finding an optimum
value for the number of theoretical trays. This is done by running
and reviewing the output file iteratively.
Output Column separation factors by tray are shown in Figure C8.2. The col-
umn summary output shows the tray flowrates, temperatures, and
pressures. Full details for the reboiler and condenser appear on the
heat exchanger output.
The stream molar component flowrates generated by PRO/II are in-
cluded, as is the Stream Table Summary generated by PROVISION.
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TrayNumber
1 8
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1E-1
1E0
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1E2
1E3
1E4
COLUMNSTILL_TOWER
ACETONE / AC2O
Fi gure C8. 2: Separati on Factor Pl ot
(Li ght Key = Acetone; Heavy Key = Acetate)
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Di sti l l ati on Col umn Output
RIGOROUS COLUMN STILL_TOWER, Main Column

ITERATIONS, MAX PER TRIAL 15
TOTAL ALL TRIALS 8

COLUMN SUMMARY

------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- ------------------------
1C 303.0 101.32 116.3 116.3L -7.5694
2 330.1 101.32 126.3 232.6
3 337.1 101.32 120.5 242.6
4 354.9 101.32 355.3 236.8 225.9L
5 371.6 101.32 373.9 245.7
6 384.3 101.32 385.8 264.3
7 391.5 101.32 382.6 276.2
8R 396.2 101.32 272.9 109.6L 7.7694


--------- ------------------------ ------------ -------- -------- ------------ ------------------------ ------------------------
FEED FEED_STREAM LIQUID 4 1.0000 225.91 2.3173
PROD OVHD_STREAM LIQUID 1 116.28 .4384
PROD BTMS_STREAM LIQUID 8 109.63 2.0789


SPECIFICATIONS

SPECIFICATION PARAMETER TRAY COMP SPECIFICATION SPECIFIED CALCULATED
NUMBER TYPE NO NO TYPE VALUE VALUE
------------------------- ----------------- -------- ------------ ------------------------- -------------------- --------------------
1 (ACTIVE) UNIT STIL 1 RRATIO 1.000E+00 1.000E+00
2 (ACTIVE) STRM OVHD 1 1 MOL FRACTION 9.990E-01 9.990E-01
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HEAT EXCHANGER REBOILER_HX, Reboiler Model

FEEDS - COLD SIDE
PRODUCTS - COLD SIDE

-------------------- --------------------



FT MISSING 1.00

HEAT EXCHANGER CONDENSER_HX, Condenser Model

FEEDS - HOT SIDE
PRODUCTS - HOT SIDE

-------------------- --------------------



FT MISSING 1.00
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Stream Mol ar Component Summary Output (PRO/II)
STREAM MOLAR COMPONENT RATES JUN94
==============================================================================

STREAM ID BTMS_STREAM FEED_STREAM OVHD_STREAM
NAME Acid Acetone Nearly Pure
Anhydride Acetic Acid Acetone
Bottoms Acetic Distillate
Product Anhydride Product
Mix

1 ACETONE 2.6164 118.7996 116.1832
2 ACETIC 67.3706 67.4404 .0698
3 AC2O 39.6240 39.6705 .0465


TEMPERATURE, K 396.2251 348.0000 303.0000
PRESSURE, KPA 101.3250 101.3250 101.3250
ENTHALPY, M*KJ/HR 2.0788 2.3173 .4385
MOLE FRAC VAPOR .0000 .0000 .0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000
Stream Tabl e Summary (PROVISION)
Stream Name FEED_STREAM OVHD_STREAM BTMS_STREAM
Stream Acetone Acetic Nearly Pure Acid Anhydride
Description Acid Acetic Acetone Bottoms
Anhydride Mix Distillate Product
Product
Phase Liquid Liquid Liquid
Temperature(K) 348.000 303.000 396.225
Pressure (KPA) 101.325 101.325 101.325
Flowrate (KG-MOL/HR)225.911 116.300 109.611
-----------------------------------------------------------------------------------------------------------------------------------------------------
Composition Mole Frac
ACETONE 0.526 0.999 0.024
ACETIC 0.299 0.001 0.615
AC2O 0.176 0.000 0.362
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CASCADE REFRIGERATION
A natural gas stream is cooled by two linked refrigeration circuits, the first using a
propane refrigerant and the second using ethane. You have to simulate the existing
system performance to establish a base case model which can be used to investigate
proposed operational changes.
Process
Data
The flow sheet is shown in Figure A1.1. The gas stream is cooled by the two
refrigeration units, COO1 and COO2, as well as by its own vapor. It is then flashed
to remove a high purity methane stream and reduce the temperature of the liquid for
storage. The ethane circuit is cooled by exchange with the propane, and heat is
removed from the propane by an air cooled exchanger.
The refrigeration units operate with a temperature approach between the hot inlet
and cold outlet of 3 F. The hot outlet/cold inlet temperature approach on the
exchanger HXT is 20 F and the hot inlet/cold outlet approach is 130 F. The air cooler
outlet temperature is set at its winter value of 75 F.
The composition and conditions of the natural gas feed stream are shown in Table
A1.1.
Figure A1.1
Refrigeration Flow Sheet
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PRO/II APPLICATION BRIEFS CASCADE REFRIGERATION A1-1
February 1991
Table A1.1
Methane
90.83
N-butane
0.57
Ethane
5.04
I-pentane
0.18
Propane
1.90
N-pentane
0.20
I-butane
0.52
N-hexane
0.76
Temperature (F)
100.0
Pressure (psia)
700.0
Methods
and Data
The Peng-Robinson equation of state is used for equilibrium, enthalpy and vapor
density calculations together with Lee-Kesler for liquid densities.
Simulation
Model
A schematic of the simulation flow sheet is shown in Figure A1.2. The process
contains two closed refrigeration loops, each equipped with a compressor and
let-down valve. Closed loops can be modeled by PRO/II. Each loop must be
initialized at some point, and the conditions and flow rate are then calculated to meet
performance specifications on the units.
In the propane circuit, the flow rate is calculated to meet the required approach
temperature on exchanger COO1. Stream 10 is initialized with the known tempera-
ture and pressure from the air cooler and an estimate for the flow rate. A controller
is used to vary the flow rate in order to meet the approach specification. Similarly,
stream 18 is initialized in the ethane loop and varied to meet the COO2 approach
temperature.
The hot outlet/cold inlet temperature approach on exchanger HXT is specified in the
exchanger calculation. There is also a hot inlet/cold outlet approach specification
between streams 15 and 17, and a controller is used to vary the split ratio in unit
SPL1 to meet it.
The natural gas stream is also cooled by the vapor portion of the feed. The
computation time can be considerably reduced by a simple reordering of the
calculation. The compositions of streams 3 and 5 are referenced to the feed stream,
1, in the Stream Data section, and the pressures and temperatures are estimated.
F1 and HX2 can now be solved first, followed by the ethane and then the propane
circuit.
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A1-2 CASCADE REFRIGERATION PRO/II APPLICATION BRIEFS
February 1991
Input Data This simulation uses the default set of English units.
The reference stream facility in the Stream Data Section sets the composition and
rate of streams 3 and 5 equal to those of stream 1. The flow rates of streams 10 and
18 (the propane and ethane loop initializations) entered on the PROP statements are
only estimates which will be changed during the calculation.
In the ethane circuit, the circulation rate is controlled with CNT1 to meet the
temperature approach specification between streams 5 and 19. Stream 19 is
vaporized in heat exchanger COO2 and stream 20 is set to its dew point. When both
a liquid fraction and a flow rate are to be specified for an exchanger, it is good practice
to specify the flow rate, rather than the liquid fraction, with the controller.
In the propane circuit, controller CNT2 calculates the propane rate to meet the
approach temperature between streams 3 and 13, and CNT3 determines the split
ratio to meet the approach specification between streams 15 and 17.
Figure A1.2
Simulation Flow Sheet
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Input Data File
TITLE PROBLEM=A1,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
COMPONENT DATA
LIBID 1,C1/2,C2/3,C3/4,IC4/5,NC4/6,IC5/7,NC5/8,NC6
THERMODYNAMIC DATA
METHODS SYSTEM=PR,DENS(L)=API
STREAM DATA
COMP=1,0.9083/2,0.0504/3,0.019/4,0.0052/&
5,0.0057/6,0.0018/7,0.002/8,0.0079
PROP STREAM=3,TEMP=-37,PRES=680,REFSTREAM=1
PROP STREAM=5,TEMP=-105,PRES=670,REFSTREAM=1
PROP STREAM=10,TEMP=75,PRES=245,COMP=3,50
PROP STREAM=18,TEMP=-20,PRES=620,COMP=2,50
UNIT OPERATIONS
FLASH UID=F1,NAME=PREFLASH
FEED 5
PROD V=21,L=6
ADIA DP=0
HX UID=HX2,NAME=GAS-GAS-HX2
OPER MINI=10
FLASH UID=C2V,NAME=C2 THROTTLE
FEED 18
PROD V=19
ADIA TEMP=-108
HX UID=COO2,NAME=COOLER-2
HOT FEED=4,V=5
COLD FEED=19,V=20
OPER COLD,LFRACT=0
CONTROL UID=CNT1,NAME=C2 RATE
SPEC STREAM=5,TEMP,DIFF,STREAM=19,VALUE=3
VARY STREAM=18,RATE
COMPRESS UID=C2CO,NAME=C2-RECY-COMP
FEED 20
PROD V=17
HX UID=HX1,NAME=GAS-GAS-HX1
OPER MINI=10
FLASH UID=C3V,NAME=C3 THROTTLE
FEED 10
PROD V=11A,L=11
ADIA TEMP=-40
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SPLITTER UID=SPL1,NAME=C3-RECY-SPLT
FEED 11,
PROD M=12,M=13,
SPEC STREAM=13,RATE,RATIO,STREAM=11,VALUE=0.45
HX UID=COO1,NAME=COOLER-1
COLD FEED=13,V=14
OPER COLD,LFRACT=0
HX UID=HXT,NAME=LOOPS EXCH
COLD FEED=11A,12,V=15,DP=5
OPER HOCI=20
CONTROL UID=CNT2,NAME=C3 RATE
SPEC STREAM=3,TEMP,DIFF,STREAM=13,VALUE=3
VARY STREAM=10,RATE
CONTROL UID=CNT3,NAME=C3 SPLIT
SPEC STREAM=15,TEMP,DIFF,STREAM=17,VALUE=-130
VARY SPLIT=SPL1,SPEC(1)
MIXER UID=MIX1,NAME=C3-RECY-MIX
FEED 14,15
PROD M=16
COMPRESS UID=C3CO,NAME=C3-RECY-COMP
FEED 16
PROD V=9
FLASH UID=HXT1,NAME=AIR COOLER
FEED 9
PROD L=10
ISO DP=0,TEMP=75
FLASH UID=F2,NAME=NGL SEPARATOR
FEED 6
PROD V=7,L=8
ADIA PRES=250
END
Results The flow sheet solves in two recycle trials. The reordering of the calculation described
above reduces the computation time to less than 20% of that required if the simulation
starts at unit HX1.
Conclusions A base case model has been set up to model the existing performance, and the
refrigerant rates have been established. These rates can now be fixed for studies of
other operating conditions. Alternatively, the existing model can be used to determine
how much refrigerant would be required for other cooling duties.
Output Selected PRO/II output is shown below. This includes the flash summaries, which
show the throttle valves, the compressors, the gas refrigeration exchangers, and the
stream output.
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Flash Summary

FLASH ID F1 C2V C3V HXT1
NAME PREFLASH C2 THROTTLE C3 THROTTLE AIR COOLER

FEEDS 5 18 10 9

PRODUCTS MIXED 19
VAPOR 21 11A
LIQUID 6 11 10

TEMPERATURE, F -104.991 -108.000 -40.000 75.000
PRESSURE, PSIA 670.000 25.510 16.142 250.000
PRESSURE DROP, PSI 0.000 594.490 233.858 0.000
MOLE FRAC VAPOR 0.25096 0.27437 0.37353 0.00000
MOLE FRAC LIQUID 0.74904 0.72563 0.62647 1.00000
DUTY, MM BTU/HR 0.00000 0.00000 0.00000 -0.87361
FLASH TYPE ADIABATIC-P ADIABATIC-T ADIABATIC-T ISOTHERMAL

FLASH ID F2
NAME NGL SEPARATR

FEEDS 6

PRODUCTS VAPOR 7
LIQUID 8

MOLE FRAC LIQUID 0.61022
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Ethane Recycle Compressor
UNIT 6, C2CO, C2-RECY-COMP

FEEDS 20

PRODUCTS VAPOR 17


---------------- -------------------- ----------------
TEMPERATURE, F -108.00 186.42 248.76
PRESSURE, PSIA 25.51 625.00 625.00
CP, BTU/LB-MOL-F 10.3315 17.8122
CV, BTU/LB-MOL-F 8.0293 13.7817
CP/(CP-R) 1.2380 1.1255
CP/CV 1.2867 1.2925
HEAD, FT
ADIABATIC 70268.36
POLYTROPIC 79522.07
ACTUAL 98969.52
WORK, HP
THEORETICAL 45.25
POLYTROPIC 51.21
ACTUAL 63.73

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Propane Recycle Compressor

UNIT 15, C3CO, C3-RECY-COMP

FEEDS 16

PRODUCTS VAPOR 9


---------------- -------------------- ----------------
TEMPERATURE, F 80.44 286.97 347.90
PRESSURE, PSIA 11.14 250.00 250.00
CP, BTU/LB-MOL-F 18.1226 25.8280
CV, BTU/LB-MOL-F 16.0237 22.8779
CP/(CP-R) 1.1231 1.0833
CP/CV 1.1310 1.1290
HEAD, FT
ADIABATIC 66329.53
POLYTROPIC 71373.45
ACTUAL 93421.88
WORK, HP
THEORETICAL 104.71
POLYTROPIC 112.67
ACTUAL 147.47

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Ethane Refrigeration Exchanger

UNIT 4, COO2, COOLER-2


LMTD, F 18.160
F FACTOR (FT) 1.000
MTD, F 18.160
U*A, BTU/HR-F 10380.474

------------- -------------
FEED 4
MIXED PRODUCT 5
M LB/HR 1.573 0.409
CP, BTU/LB-F 0.777 1.972
M LB/HR 0.278 1.441
CP, BTU/LB-F 0.585 1.161
TOTAL, LB-MOL/HR 100.000 100.000
M LB/HR 1.851 1.851
TEMPERATURE, F -51.799 -104.997

------------- -------------
FEED 19
VAPOR PRODUCT 20
M LB/HR 0.350 1.275
CP, BTU/LB-F 0.343 0.343
M LB/HR 0.925
CP, BTU/LB-F 0.576
M LB/HR 1.275 1.275
TEMPERATURE, F -108.000 -108.000
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Propane Refrigeration Exchanger

UNIT 10, COO1, COOLER-1


LMTD, F 29.184
F FACTOR (FT) 1.000
MTD, F 29.184
U*A, BTU/HR-F 5061.409

------------- -------------
FEED 2
MIXED PRODUCT 3
M LB/HR 1.842 1.621
CP, BTU/LB-F 0.609 0.732
M LB/HR 8.649E-03 0.230
CP, BTU/LB-F 0.561 0.568
TOTAL, LB-MOL/HR 100.000 100.000
M LB/HR 1.851 1.851
TEMPERATURE, F 67.938 -37.043

------------- -------------
FEED 13
VAPOR PRODUCT 14
M LB/HR 0.814
CP, BTU/LB-F 0.343
M LB/HR 0.814
CP, BTU/LB-F 0.525
M LB/HR 0.814 0.814
TEMPERATURE, F -40.001 -40.000
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February 1991
Propane/Ethane Loop Exchanger
UNIT 11, HXT, LOOPS EXCH


LMTD, F 58.780
F FACTOR (FT) 1.000
MTD, F 58.780
U*A, BTU/HR-F 5965.602

------------- -------------
FEED 17
LIQUID PRODUCT 18
M LB/HR 1.275
CP, BTU/LB-F 0.592
M LB/HR 1.275
CP, BTU/LB-F 0.688
M LB/HR 1.275 1.275

------------- -------------
FEEDS 11A
12
VAPOR PRODUCT 15
M LB/HR 1.167 2.311
CP, BTU/LB-F 0.343 0.432
M LB/HR 1.144
CP, BTU/LB-F 0.525
M LB/HR 2.311 2.311
TEMPERATURE, F -40.000 118.713
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Stream Component Output, contd.

STREAM ID 1 2 3 4
NAME
PHASE VAPOR MIXED MIXED MIXED

1 C1 90.8028 90.8028 90.8028 90.8028
2 C2 5.0385 5.0385 5.0385 5.0385
3 C3 1.8994 1.8994 1.8994 1.8994
4 IC4 0.5198 0.5198 0.5198 0.5198
5 NC4 0.5698 0.5698 0.5698 0.5698
6 IC5 0.1799 0.1799 0.1799 0.1799
7 NC5 0.1999 0.1999 0.1999 0.1999
8 NC6 0.7898 0.7898 0.7898 0.7898


TEMPERATURE, F 100.0000 67.9384 -37.0431 -51.7992
PRESSURE, PSIA 700.0000 690.0001 680.0000 670.0000
ENTHALPY, MM BTU/HR 0.0841 0.0480 -0.0998 -0.1234
MOLE FRAC VAPOR 1.0000 0.9986 0.9415 0.9227
MOLE FRAC LIQUID 0.0000 0.0014 0.0585 0.0773

STREAM ID 5 6 7 8
NAME
PHASE MIXED LIQUID VAPOR LIQUID

1 C1 90.8028 66.1794 29.0452 37.1341
2 C2 5.0385 4.6344 0.1449 4.4896
3 C3 1.8994 1.8454 0.0054 1.8400
4 IC4 0.5198 0.5129 2.7871E-04 0.5126
5 NC4 0.5698 0.5643 1.5254E-04 0.5641
6 IC5 0.1799 0.1792 8.3505E-06 0.1791
7 NC5 0.1999 0.1993 5.2524E-06 0.1993
8 NC6 0.7898 0.7888 2.1383E-06 0.7888


TEMPERATURE, F -104.9974 -104.9905 -158.4827 -158.4827
PRESSURE, PSIA 670.0000 670.0000 250.0000 250.0000
ENTHALPY, MM BTU/HR -0.3119 -0.2587 -0.0547 -0.2040
MOLE FRAC VAPOR 0.2503 0.0000 1.0000 0.0000
MOLE FRAC LIQUID 0.7497 1.0000 0.0000 1.0000
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STREAM ID 9 10 11 11A
NAME
PHASE VAPOR LIQUID LIQUID VAPOR

1 C1 0.0000 0.0000 0.0000 0.0000
2 C2 0.0000 0.0000 0.0000 0.0000
3 C3 70.8555 70.8555 44.3888 26.4667
4 IC4 0.0000 0.0000 0.0000 0.0000
5 NC4 0.0000 0.0000 0.0000 0.0000
6 IC5 0.0000 0.0000 0.0000 0.0000
7 NC5 0.0000 0.0000 0.0000 0.0000
8 NC6 0.0000 0.0000 0.0000 0.0000


TEMPERATURE, F 347.9012 75.0000 -40.0000 -40.0000
PRESSURE, PSIA 250.0000 250.0000 16.1417 16.1417
ENTHALPY, MM BTU/HR 0.9558 0.0822 -0.0812 0.1635
MOLE FRAC VAPOR 1.0000 0.0000 0.0000 1.0000
MOLE FRAC LIQUID 0.0000 1.0000 1.0000 0.0000

STREAM ID 12 13 14 15
NAME
PHASE LIQUID LIQUID VAPOR VAPOR

1 C1 0.0000 0.0000 0.0000 0.0000
2 C2 0.0000 0.0000 0.0000 0.0000
3 C3 25.9385 18.4503 18.4503 52.4052
4 IC4 0.0000 0.0000 0.0000 0.0000
5 NC4 0.0000 0.0000 0.0000 0.0000
6 IC5 0.0000 0.0000 0.0000 0.0000
7 NC5 0.0000 0.0000 0.0000 0.0000
8 NC6 0.0000 0.0000 0.0000 0.0000


TEMPERATURE, F -40.0006 -40.0006 -39.9998 118.7134
PRESSURE, PSIA 16.1417 16.1417 16.1417 11.1417
ENTHALPY, MM BTU/HR -0.0475 -0.0338 0.1139 0.4666
MOLE FRAC VAPOR 0.0000 0.0000 1.0000 1.0000
MOLE FRAC LIQUID 1.0000 1.0000 0.0000 0.0000
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STREAM ID 16 17 18 19
NAME
PHASE VAPOR VAPOR LIQUID MIXED

1 C1 0.0000 0.0000 0.0000 0.0000
2 C2 0.0000 42.3862 42.3862 42.3862
3 C3 70.8555 0.0000 0.0000 0.0000
4 IC4 0.0000 0.0000 0.0000 0.0000
5 NC4 0.0000 0.0000 0.0000 0.0000
6 IC5 0.0000 0.0000 0.0000 0.0000
7 NC5 0.0000 0.0000 0.0000 0.0000
8 NC6 0.0000 0.0000 0.0000 0.0000


TEMPERATURE, F 80.4405 248.7598 -20.0004 -108.0000
PRESSURE, PSIA 11.1417 625.0000 620.0001 25.5101
ENTHALPY, MM BTU/HR 0.5806 0.3020 -0.0487 -0.0487
MOLE FRAC VAPOR 1.0000 1.0000 0.0000 0.2744
MOLE FRAC LIQUID 0.0000 0.0000 1.0000 0.7256

STREAM ID 20 21 22 23
NAME

1 C1 0.0000 24.6234 24.6234 24.6234
2 C2 42.3862 0.4041 0.4041 0.4041
3 C3 0.0000 0.0540 0.0540 0.0540
4 IC4 0.0000 0.0069 0.0069 0.0069
5 NC4 0.0000 0.0056 0.0056 0.0056
6 IC5 0.0000 7.9290E-04 7.9290E-04 7.9290E-04
7 NC5 0.0000 6.8482E-04 6.8482E-04 6.8482E-04
8 NC6 0.0000 9.6493E-04 9.6493E-04 9.6493E-04


TEMPERATURE, F -107.9999 -104.9905 -47.0129 90.0000
PRESSURE, PSIA 25.5101 670.0000 664.9999 660.0000
ENTHALPY, MM BTU/HR 0.1398 -0.0531 -0.0294 0.0067
MOLE FRAC VAPOR 1.0000 1.0000 1.0000 1.0000
MOLE FRAC LIQUID 0.0000 0.0000 0.0000 0.0000
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PHENOL DISTILLATION
A new set of operating conditions has been proposed for an existing distillation train
to produce a 99.95 weight % pure phenol product from a feed containing predomi-
nantly acetone, phenol, and water. You have been asked to establish the feasibility
of the new conditions and to determine the material and heat balances.
Process
Data
The separation is carried out in five distillation columns as shown in the flow sheet
in Figure A2.1. Most of the acetone is removed in the vapor product from the first
column, T1, and the water is removed in column T3. The other unwanted compo-
nents are removed in columns T2 and T4.
The phenol product is the taken overhead from T5. In order to obtain the required
product purity, a considerable amount of phenol remains in the bottom product of
T5, and this is recycled back to T2.
Small amounts of phenol are lost in the products from T2 and T4. The water product
from T3 contains only trace amounts of phenol.
The feed composition and thermal condition are shown in Table A2.1.
Figure A2.1
Phenol Distillation Flow Sheet
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PRO/II APPLICATION BRIEFS PHENOL DISTILLATION A2-1
February 1991
Table A2.1
Component kg/hr Component kg/hr
Acetone
3547.0
Dimethylphenylcarbinol
89.2
Phenol
4772.0
Acetophenone
36.9
Mesityl oxide
13.8
Dimer alpha
methylstyrene
288.1
Cumene
272.0
Cumyl phenol
330.5
Alpha methylstyrene
169.5
Water
1005.0
Pressure (torr)
760.0
Thermal condition
Bubble point liquid
Columns T2, T3 and T5 operate at pressure of 100 torr. T1 operates at 760 torr
and T4 at 280 torr. The acetone and phenol products are taken as vapor. The other
column overheads are at bubble point.
The proposed operating conditions for the separation are in Table A2.2.
Table A2.2
Column Specification Value
T1
Reflux/feed ratio
0.78
4500 kg/hr
T2
Reflux/feed ratio
0.83
Phenol loss in bottoms stream
0.6 %
T3
Reflux/feed ratio
0.73
160 kg/hr
T4
Reflux/feed ratio
50.0
Phenol loss in bottoms stream
1 %
T5
Reflux/feed ratio
3.0
Phenol purity
99.95 wt %
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A2-2 PHENOL DISTILLATION PRO/II APPLICATION BRIEFS
February 1991
Methods
and Data
Vapor pressure data are used to predict the K-values for most of the components
in the system because of the low pressure and the ideality of most of the pairs. The
K-values of the four non-ideal binary pairs are predicted using the NRTL liquid
activity equation.
Ideal values for liquid enthalpy, latent heat, and liquid density are taken from the
Component Library, and vapor properties are also assumed to be ideal. These data
are suitable because the system is at low pressure and always at equilibrium
conditions.
All the components in the simulation are in the PRO/II Component Library except
for dimer alpha methylstyrene. Data for this missing component are provided as
part of the input. The data required by the selected thermodynamic system are the
liquid enthalpy, latent heat, vapor pressure, liquid density, molecular weight, boiling
point, and specific gravity. Enthalpy and density data are entered as tabular data,
and vapor pressure as Antoine coefficients.
Simulation
Model
The performance specifications in Table A2.2 are imposed directly on the relevant
column. The reboiler and condenser duties are calculated to satisfy the specifica-
tions.
The phenol loss in columns T2 and T4 is specified as the ratio of the flow rate of
phenol in the product to the rate in the feed to the flow sheet. All the reflux
specifications are with respect to the feed to the column rather than to the distillate
rate.
Input Data The simulation uses metric units with pressure as torr. Weight flow rate and
composition outputs are requested, as all specified rates are in kg/hr.
The estimate for the recycle stream is supplied to reduce the calculation time.
The PROPTABLES=BRIEF option is used in all the columns to limit the output to
column summary only.
Input Data File:
DIMEN METRIC,PRES=TORR
PRINT RATE=M,W,FRAC=M,W
COMPONENT DATA
LIBID 1,ACETONE/2,PHENOL/3,MO/4,CUMENE/&
5,AMST/6,ACPH/7,2P2P/9,PCPHENOL/10,H2O
NONLIB 8,D-A-METHSTYR
MW 8,236.36
SPGR 8,0.912
NBP(C) 8,308
TC(C) 8,489.515
PC(TORR) 8,12707.350
VC 8,908.661
VP(TORR) TEMP=K,CORRELATION=21,LN,DATA=8,&
,,14.47,-3546,-172.2
ENTH(L,KCAL,KG,WT) TEMP=C,TABULAR=25,100/8,242,262
LATE(KCAL,KG,WT) TEMP=C,TABULAR=25,100/8,90,73
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DENS(L,KG,CUM,WT) TEMP=C,TABULAR=25,100/8,723,698
THERMODYNAMIC DATA
METHOD KVALUE=NRTL,ENTH(V)=IDEAL,ENTH(L)=IDEAL,&
DENS(L)=IDEAL,PHI=IDEAL
KVALUE POYNTING=NO,BANK=NONE,FILL=NONE
NRTL(K) 1,10,0,316.145,0,602.96,0.5341/&
2,5,0,-0.3505,0,314.23,0.3006/&
2,10,0,142.258,0,1200.36,0.4942/&
1,2,0,-379.902,0,-141.09,0.3086
STREAM DATA
PROP STREAM=1,PRES=760,PHASE=L,COMP(W)=3547/4772/13.8/&
272/169.5/89.2/36.9/288.1/330.5/1005
PROP STREAM=4,TEMP=120,PRES=100,COMP(W)=2,4700/6,700/50
NAME 1,FEED/4,RECYCLE/3,T1 OVHD/2,T1 BTMS/6,T2 OVHD/&
7,T2 BTMS/5,T2 FEED/8,T3 OVHD/10,T3 BTMS/11,T4 BTMS/&
12,T4 OVHD/15,PHENOL PROD/13,T5 LIQ FD/14,T5 VAP FD
UNIT OPERATIONS
COLUMN UID=T1,NAME=COLUMN 1
PARAM TRAY=10,CHEMDIST=20
FEED 1,5
COND TYPE=PART
HEAT 1,1/2,10
VARY HEAT=1,2
PSPEC TOP=760
ESTI MODEL=CONVENTIONAL,REFLUX=140
SPEC TRAY=1,PHASE=L,RATE,RATIO,STREAM=1,VALUE=0.78
FLASH UID=F1,NAME=FEED MIX
FEED 2,4
PROD L=5
FEED 5,11
COND TYPE=BUBB
HEAT 1,1/2,17
VARY HEAT=1,2
PSPEC TOP=100
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Results The simulation meets all the specifications, and so the proposed operating condi-
tions are feasible as long as the column duties can be met.
Output The output for columns T1 and T5 and the stream weight rates and compositions
are shown. These give the required heat and material balances on the flow sheet.
FEED 6,11
COND TYPE=BUBB
HEAT 1,1/2,14
VARY HEAT=1,2
PSPEC TOP=100,DP=5
PARAM TRAY=17,CHEMDIST
FEED 10,12
COND TYPE=BUBB
HEAT 1,1/2,17
VARY HEAT=1,2
PSPEC TOP=280
SPEC TRAY=1,PHASE=L,RATE,RATIO,STREAM=10,RATE,VALUE=50
VALVE UID=V1,NAME=VALVE
FEED 11
PROD V=14,L=13
OPER PRES=100
FEED 13,11/14,10
COND TYPE=PART
HEAT 1,1/2,20
VARY HEAT=1,2
PSPEC TOP=100
SPEC TRAY=1,PHASE=L,RATE,RATIO,REFFEEDS,VALUE=3
SPEC STREAM=15,FRAC(W),COMP=2,VALUE=0.9995
END
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COLUMN T1 OUTPUT

CHEM METHOD 9

COLUMN SUMMARY

DEG C TORR KG-MOL/HR M*KCAL/HR
------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- --------------------
1 80.7 760.00 136.6 113.5V -1.3652
2 91.7 760.00 137.8 250.2
3 92.3 760.00 137.9 251.3
4 92.4 760.00 137.6 251.4
5 93.3 760.00 305.8 251.1 175.2L
6 97.7 760.00 303.8 244.1
7 99.3 760.00 302.7 242.2
8 100.1 760.00 300.3 241.1
9 105.9 760.00 270.6 238.7
10 150.7 760.00 208.9 61.7L 2.5172


------------- ------------ ------------ -------- -------- ---------------- ------------------------ --------------------
FEED 1 LIQUID 5 1.0000 175.19 0.5401
PRODUCT 3 VAPOR 1 113.53 1.1513

OVERALL MASS BALANCE, (FEEDS - PRODUCTS) -6.7055E-06

SPECIFICATIONS

----------------- -------- ------------ ------------------------- -------------------- --------------------
STRM 3 1 WT RATE 4.500E+03 4.500E+03
TRAY LIQ 1 MOL RATIO 7.800E-01 7.800E-01
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COLUMN T5 OUTPUT
UNIT 7, T5, COLUMN 5


CHEM METHOD 9

COLUMN SUMMARY

DEG C TORR KG-MOL/HR M*KCAL/HR
------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- --------------------
1 120.6 100.00 380.3 50.2V -4.6197
2 120.6 100.00 380.3 430.5
3 120.6 100.00 380.3 430.5
4 120.6 100.00 380.3 430.5
5 120.6 100.00 380.3 430.5
6 120.6 100.00 380.4 430.5
7 120.6 100.00 380.4 430.5
8 120.7 100.00 380.4 430.5
9 120.7 100.00 380.4 430.6
10 120.7 100.00 380.4 430.6 16.3V
11 120.8 100.00 490.9 414.3 110.5L
12 120.8 100.00 490.9 414.3
13 120.8 100.00 490.9 414.3
14 120.8 100.00 490.9 414.3
15 120.8 100.00 491.0 414.3
16 120.9 100.00 491.0 414.3
17 120.9 100.00 491.0 414.4
18 120.9 100.00 491.1 414.4
19 121.1 100.00 491.1 414.4
20 121.3 100.00 414.5 76.6L 5.0314


------------- ------------ ------------ -------- -------- ---------------- ------------------------ ------------------------
FEED 14 VAPOR 10 0.0000 16.28 0.2956
FEED 13 LIQUID 11 1.0000 110.50 0.6670
PRODUCT 15 VAPOR 1 50.17 0.9096


SPECIFICATIONS

----------------- -------- ------------ ------------------------- -------------------- --------------------
TRAY LIQ 1 MOL RATIO 3.000E+00 3.000E+00
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STREAM COMPONENT WEIGHT RATES
STREAM ID 1 2 3 4
NAME FEED T1 BTMS T1 OVHD RECYCLE

FLUID RATES, KG/HR
1 ACETONE 3547.0000 9.5058 3537.4910 3.2384E-15
2 PHENOL 4772.0000 4754.1226 17.8783 6677.7358
3 MO 13.8000 13.7786 0.0215 4.2949E-14
4 CUMENE 272.0000 271.9857 0.0201 6.8338E-07
5 AMST 169.5000 169.4982 0.0075 1.3241E-08
6 ACPH 89.2000 89.2000 1.0601E-05 645.3818
7 2P2P 36.9000 36.9000 1.4237E-06 38.6456
8 D-A-METHSTYR 288.1000 288.1000 3.6576E-15 1.9812E-26
9 PCPHENOL 330.5000 330.5000 5.7072E-13 1.7867E-25
10 H2O 1005.0000 60.4097 944.5895 3.2642E-14

TOTAL RATE, KG/HR 10524.0000 6024.0005 4500.0078 7361.7632

TEMPERATURE, C 81.3963 150.6608 80.6575 121.2961
PRESSURE, TORR 760.0000 760.0000 760.0000 100.0000

STREAM ID 5 6 7 8
NAME T2 FEED T2 OVHD T2 BTMS T3 OVHD

FLUID RATES, KG/HR
1 ACETONE 9.5058 9.5058 4.0713E-11 9.4733
2 PHENOL 11473.7539 11445.1211 28.6320 0.0202
3 MO 13.7786 13.7786 1.7064E-07 13.3568
4 CUMENE 271.9857 271.9854 2.9059E-04 69.8202
5 AMST 169.4982 169.4979 2.9302E-04 6.9207
6 ACPH 739.7144 647.6166 92.0977 1.4650E-06
7 2P2P 75.7182 38.6545 37.0637 9.4985E-09
8 D-A-METHSTYR 288.1000 1.8230E-16 288.1000 0.0000
9 PCPHENOL 330.5000 2.4124E-15 330.5001 1.3423E-27
10 H2O 60.4097 60.4097 1.7590E-11 60.4089

TOTAL RATE, KG/HR 13432.9648 12656.5703 776.3940 160.0000

TEMPERATURE, C 114.0000 102.2467 162.3239 36.6398
PRESSURE, TORR 100.0000 100.0000 100.0000 100.0000
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STREAM COMPONENT WEIGHT RATES
(Cont)
STREAM ID 10 11 12 13
NAME T3 BTMS T4 BTMS T4 OVHD T5 LIQ FD

FLUID RATES, KG/HR
1 ACETONE 0.0325 9.9303E-09 0.0325 4.1168E-09
2 PHENOL 11445.0889 11397.3594 47.7200 9910.5996
3 MO 0.4219 1.5285E-06 0.4219 8.1794E-07
4 CUMENE 202.1642 0.0680 202.1073 0.0466
5 AMST 162.5764 0.0100 162.5753 0.0064
6 ACPH 647.6330 647.6487 6.9949E-04 592.2852
7 2P2P 38.6547 38.6548 1.6167E-05 35.9994
8 D-A-METHSTYR 3.1785E-26 3.1448E-26 0.0000 2.7410E-26
9 PCPHENOL 2.8665E-25 2.8361E-25 1.8332E-27 2.4719E-25
10 H2O 8.6899E-04 1.4144E-14 8.6904E-04 1.2328E-14

TOTAL RATE, KG/HR 12496.5723 12083.7412 412.8586 10538.9385

TEMPERATURE, C 131.9907 149.3994 125.2048 121.0323
PRESSURE, TORR 160.0000 280.0000 280.0000 100.0000

STREAM ID 14 15
NAME T5 VAP FD PHENOL PROD
PHASE VAPOR VAPOR

FLUID RATES, KG/HR
1 ACETONE 5.8135E-09 1.0445E-08
2 PHENOL 1486.7595 4719.6191
3 MO 7.1054E-07 1.5285E-06
4 CUMENE 0.0214 0.0680
5 AMST 0.0036 0.0100
6 ACPH 55.3634 2.2740
7 2P2P 2.6554 0.0088
8 D-A-METHSTYR 4.0379E-27 0.0000
9 PCPHENOL 3.6415E-26 1.0654E-25
10 H2O 1.8161E-15 1.9464E-14

TOTAL RATE, KG/HR 1544.8032 4721.9800

TEMPERATURE, C 121.0323 120.5847
PRESSURE, TORR 100.0000 100.0000
WEIGHT FRAC VAPOR 1.0000 1.0000
WEIGHT FRAC LIQUID 0.0000 0.0000
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STREAM WEIGHT FRACTIONS
STREAM ID 1 2 3 4
NAME FEED T1 BTMS T1 OVHD RECYCLE

FLUID WEIGHT FRACTIONS
1 ACETONE 0.3370 0.0016 0.7861 4.3990E-19
2 PHENOL 0.4534 0.7892 0.0040 0.9071
3 MO 0.0013 0.0023 4.7821E-06 5.8341E-18
4 CUMENE 0.0258 0.0452 4.4700E-06 9.2829E-11
5 AMST 0.0161 0.0281 1.6614E-06 1.7986E-12
6 ACPH 0.0085 0.0148 2.3557E-09 0.0877
7 2P2P 0.0035 0.0061 3.1637E-10 0.0052
8 D-A-METHSTYR 0.0274 0.0478 8.1280E-19 2.6912E-30
9 PCPHENOL 0.0314 0.0549 1.2683E-16 2.4270E-29
10 H2O 0.0955 0.0100 0.2099 4.4340E-18

TOTAL RATE, KG/HR 10524.0000 6024.0005 4500.0078 7361.7632

TEMPERATURE, C 81.3963 150.6608 80.6575 121.2961
PRESSURE, TORR 760.0000 760.0000 760.0000 100.0000

STREAM ID 5 6 7 8
NAME T2 FEED T2 OVHD T2 BTMS T3 OVHD

1 ACETONE 7.0764E-04 7.5105E-04 5.2439E-14 0.0592
2 PHENOL 0.8541 0.9043 0.0369 1.2654E-04
3 MO 0.0010 0.0011 2.1978E-10 0.0835
4 CUMENE 0.0202 0.0215 3.7428E-07 0.4364
5 AMST 0.0126 0.0134 3.7741E-07 0.0433
6 ACPH 0.0551 0.0512 0.1186 9.1559E-09
7 2P2P 0.0056 0.0031 0.0477 5.9366E-11
8 D-A-METHSTYR 0.0214 1.4404E-20 0.3711 0.0000
9 PCPHENOL 0.0246 1.9061E-19 0.4257 8.3896E-30
10 H2O 0.0045 0.0048 2.2656E-14 0.3776

TOTAL RATE, KG/HR 13432.9648 12656.5703 776.3940 160.0000

TEMPERATURE, C 114.0000 102.2467 162.3239 36.6398
PRESSURE, TORR 100.0000 100.0000 100.0000 100.0000
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STREAM WEIGHT FRACTIONS (Cont)
STREAM ID 10 11 12 13
NAME T3 BTMS T4 BTMS T4 OVHD T5 LIQ FD

1 ACETONE 2.6012E-06 8.2179E-13 7.8740E-05 3.9063E-13
2 PHENOL 0.9159 0.9432 0.1156 0.9404
3 MO 3.3758E-05 1.2649E-10 0.0010 7.7611E-11
4 CUMENE 0.0162 5.6277E-06 0.4895 4.4212E-06
5 AMST 0.0130 8.2680E-07 0.3938 6.1079E-07
6 ACPH 0.0518 0.0536 1.6943E-06 0.0562
7 2P2P 0.0031 0.0032 3.9160E-08 0.0034
8 D-A-METHSTYR 2.5435E-30 2.6025E-30 0.0000 2.6008E-30
9 PCPHENOL 2.2938E-29 2.3470E-29 4.4404E-30 2.3455E-29
10 H2O 6.9538E-08 1.1705E-18 2.1049E-06 1.1698E-18

TOTAL RATE, KG/HR 12496.5723 12083.7412 412.8586 10538.9385

TEMPERATURE, C 131.9907 149.3994 125.2048 121.0323
PRESSURE, TORR 160.0000 280.0000 280.0000 100.0000

STREAM ID 14 15
NAME T5 VAP FD PHENOL PROD
PHASE VAPOR VAPOR

1 ACETONE 3.7632E-12 2.2119E-12
2 PHENOL 0.9624 0.9995
3 MO 4.5995E-10 3.2369E-10
4 CUMENE 1.3858E-05 1.4401E-05
5 AMST 2.3005E-06 2.1158E-06
6 ACPH 0.0358 4.8158E-04
7 2P2P 0.0017 1.8672E-06
8 D-A-METHSTYR 2.6139E-30 0.0000
9 PCPHENOL 2.3573E-29 2.2562E-29
10 H2O 1.1756E-18 4.1219E-18

TOTAL RATE, KG/HR 1544.8032 4721.9800

TEMPERATURE, C 121.0323 120.5847
PRESSURE, TORR 100.0000 100.0000
WEIGHT FRAC VAPOR 1.0000 1.0000
WEIGHT FRAC LIQUID 0.0000 0.0000
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HDS REACTOR SECTION
A hydrodesulfurization reactor unit is used to remove sulfur compounds from a
hydrocarbon feed by converting them to hydrogen sulfide (H2S) in the presence of
an excess of hydrogen. Only a small amount of the hydrogen is consumed per pass
through the reactor. Consequently, a large recycle is necessary to re-mix the
remaining hydrogen with the feed streams.
You must model the unit, including the reactor and high pressure flash, to calculate
the size of the recycle and the cooler and compressor requirements. The actual
reaction mechanisms involved are not known, but reactor feed and product analyses
in the laboratory have determined the change in the amount of each component within
the reactor.
Process
Data
The process flow sheet is shown in Figure A3.1. The reactor operates adiabatically
and the product stream is used to preheat the feed. A small quantity of the recycle
gas is purged to prevent the buildup of inert components in the system.
For the reactor to operate properly, its feed stream must contain 63 mole % hydrogen.
This is achieved by controlling the flow rate of the recycle hydrogen stream, 5.
The compositions of the hydrocarbon and makeup hydrogen feeds to the process
are shown in Table A3.1.
Figure A3.1
HDS Reactor Flow Sheet
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February 1991
Table A3.1
Component
Makeup
Hydrogen
(lb moles/hr)
Feed
Hydrocarbon
(lb moles/hr)
API Molecular
Weight
Hydrogen
300.000 - - -
Methane
32.813 - - -
Ethane
19.916 - - -
H2S
14.071 - - -
Propane
3.148 - - -
I-Butane
3.793 - - -
N-Butane
1.525 - - -
I-Pentane
0.872 - - -
N-Pentane
3.111 - - -
NBP 220
- 0.570 60.0 101
NBP 260
- 3.900 54.7 112
NBP 290
- 11.460 51.5 121
NBP 310
- 8.150 49.5 127
NBP 328
- 15.370 47.9 134
NBP 340
- 9.680 46.7 138
NBP 352
- 33.950 45.5 143
NBP 364
- 18.960 44.6 148
NBP 376
- 110.550 43.8 153
NBP 392
- 142.750 42.6 160
NBP 410
- 223.440 41.3 167
NBP 431
- 206.580 40.0 176
NBP 470
- 503.550 37.6 195
NBP 515
- 140.980 35.3 216
NBP 550
- 40.200 32.7 235
TOTAL 379.249 1470.000
Temp (F) 115.000 380.000
Pres (psia) 715.000 715.000
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A3-2 HDS REACTOR SECTION PRO/II APPLICATION BRIEFS
February 1991
Table A3.2 lists the molar change in the reactor for each component. Negative values
are shown for reactants and positive values for the products.
Table A3.2
REACTOR DATA
Component Molar Change
(lb mole/hr)
Component Molar Change
(lb mole/hr)
Hydrogen
-61.00
NBP 310
1.39
Methane
0.00
NBP 328
-0.03
Ethane
0.00
NBP 340
-0.02
H2S
4.66
NBP 352
-0.07
Propane
0.00
NBP 364
-0.04
I-Butane
0.00
NBP 376
-0.22
N-Butane
0.00
NBP 392
-0.29
I-Pentane
0.00
NBP 410
-0.45
N-Pentane
0.00
NBP 431
-0.41
NBP 220
0.11
NBP 470
-1.00
NBP 260
0.66
NBP 515
-0.28
NBP 290
1.88
NBP 550
-0.08
Other known process conditions are shown in Table A3.3.
Table A3.3
PROCESS CONDITIONS
Reactor feed pressure 725 psia
Reactor operating pressure 625 psia
Reactor duty 0.0 (adiabatic)
Mole % hydrogen in reactor feed 63.0 %
Makeup hydrogen stream flowrate 379.249 lb moles/hr
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Methods
and Data
The hydrocarbon liquid feed is characterized as a number of petroleum fractions. The
molecular weight, gravity and boiling point data in Table A3.1 are entered for each
fraction, and PRO/II calculates all other required properties using standard petroleum
property correlations.
Grayson-Streed is selected as the thermodynamic system. The Grayson-Streed
K-value correlation is an extension of the Chao-Seader method, improved with the
use of experimental data for hydrogen and methane systems. This correlation is
especially suitable for the simulation of hydrogen-rich streams such as those in
hydrotreaters and reformers.
Curl-Pitzer is used for enthalpies. Liquid densities are calculated using the API
method which is the most suitable for hydrocarbon streams containing hydrogen.
Simulation
Model
The feed to the reactor must be 63 mole % hydrogen. This is fixed by a controller
which varies the total flow rate of the recycle stream, 5.
A stream calculator (STCALC) unit is used to determine the purge gas rate for splitter
unit S2. The STCALC unit subtracts product stream 11 from feed stream 2. To
account for the hydrogen consumed in the reactor, the difference between streams
8 and 9 is added. Finally, all components except hydrogen are removed from the
product stream, H2, using a factor of zero on the FOVHD statement. The flow rate
of stream H2, created by the stream calculator, is the rate of excess hydrogen which
must be purged. The purge stream is set by splitter S2, using stream H2 as the
reference stream for its specification.
The recycle stream 5 is given an initial estimate in order to speed the convergence.
It is defined as pure hydrogen. The value of the estimate for the flow rate is not
important, as it is reset by the controller. Wegstein acceleration is applied to the
recycle.
Input Data English units are used for the simulation. Stream output is requested in both molar
and weight units with percentages as well as flow rates.
Stream 7, the feed to heater F1, is referenced to stream 6, and the heater and reactor
are calculated before the feed preheat exchanger, EX.
The reactor data are available as the actual number of moles/hr of each component
consumed or created in the reactor. These are entered directly as the stoichiometric
coefficients. No base component for the conversion is defined, which indicates to
PRO/II that these coefficients are the absolute number of moles reacted.
The air cooler is combined with the high pressure flash in unit F2.
The STCALC unit calculates the purge rate. Each component in the streams on the
FEED statement is multiplied by the associated factor. This is 1 for streams to be
added and -1 for those to be subtracted. The FOVHD statement defines the fraction
of each component going to the OVHD product. The splitter, S2, specifies the
hydrogen rate in the purge stream as the same as in stream H2.
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Input Data File:
DESC HYDRODESULFURIZATION UNIT
DESC REACTOR & HIGH PRESSURE FLASH
PRINT RATE=M,W,PERCENT=M,W
COMPONENT DATA
LIBID 1,H2/2,C1/3,C2/4,H2S/5,C3/6,IC4/7,NC4/8,IC5/9,NC5
PETRO 10,NBP 220,101,60,220/11,NBP 260,112,54.7,260/&
12,NBP 290,121,51.5,290/13,NBP 310,127,49.5,310/&
14,NBP 328,134,47.9,328/15,NBP 340,138,46.7,340/&
16,NBP 352,143,45.5,352/17,NBP 364,148,44.6,364/&
18,NBP 376,153,43.8,376/19,NBP 392,160,42.6,392/&
20,NBP 410,167,41.3,410/21,NBP 431,176,40,431/&
22,NBP 470,195,37.6,470/23,NBP 515,216,35.3,515/&
24,NBP 550,235,32.7,550
THERMODYNAMIC DATA
METHOD SYSTEM=GS
STREAM DATA
COMP=10,0.57/11,3.9/12,11.46/13,8.149/14,15.37/&
15,9.679/16,33.95/17,18.96/18,110.5/19,142.7/&
20,223.4/21,206.6/22,503.5/23,141/24,40.2
PROP STREAM=5,TEMP=170,PRES=715,COMP=10000
PROP STREAM=2,TEMP=115,PRES=715,COMP=300/32.813/&
19.916/14.071/3.148/3.793/1.525/0.872/3.111
NAME 1,FEED HC/14,RECYCLE GAS/2,TOTAL MAKEUP/6,COMB FEED/&
5,RECYCLE GAS/8,RX INLET/9,RX PRODUCT/&
12,SEPARAT GAS/13,EXCESS-VENT/11,SEP NET LIQ
UNIT OPERATIONS
MIXER UID=M1
FEED 1,2,5
PROD M=6
CONTROLL UID=CON1
SPEC STREAM=6,FRAC,COMP=1,VALUE=0.63,RTOL=0.001
VARY STREAM=5,RATE
FLASH UID=F1,NAME=FEED HEATER
FEED 7
PROD V=8
REACTOR UID=RX13,NAME=HDS REACTOR
FEED 8
PROD V=9
OPER ADIABATIC,PRES=625
RXCALC CONVERSION
STOI 1,-61/14,-0.03/15,-0.02/4,4.66/16,-0.07/17,-0.04/&
18,-0.22/19,-0.29/20,-0.45/21,-0.41/10,0.11/&
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22,-1/11,0.66/23,-0.28/12,1.88/24,-0.08/13,1.39
HX UID=EX,NAME=FEED PREHEAT
OPER COLD,TEMP=565
FLASH UID=F2,NAME=HP FLASH
FEED 10
PROD V=12,L=11
STCALC UID=CAL1
FEED 2,1/11,-1/9,1/8,-1
OVHD STREAM=H2,PRES=100,TEMP=100
BTMS STREAM=DUM1,PRES=100,TEMP=100
FOVHD 1,,1/2,24,0
OPER STOP=ZERO
SPLITTER UID=S2,NAME=VENT GAS
FEED 12
PROD M=13,M=14
SPEC STREAM=13,RATE,COMP=1,RATIO,STREAM=H2,VALUE=1
COMPRESS UID=COMP,NAME=RECY COMP
FEED 14
PROD V=5
OPER POLY=75,PRES=715
RECYCLE DATA
ACCEL TYPE=WEGS,START=2
END
Results The hydrogen recycle flow rate is 3072.6 lb mole/hr compared with a hydrogen
make-up flow of 379.2 lb mole/hr. The initial recycle estimate of 10000 lb mole/hr is
reduced to the correct value by the controller in the first recycle trial.
The cooling duty is calculated by the high pressure flash as -63.1 MM Btu/hr. The
compressor raises the pressure from 525 psia to 715 psia, and the work required is
601 HP.
Output Selected portions of the PRO/II output show flash and splitter, recycle compressor,
HDS reactor, feed preheater, and stream component output.
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FLASH SUMMARY

FLASH ID F1 F2
NAME FEED HEATER HP FLASH

FEEDS 7 10

PRODUCTS MIXED 8
VAPOR 12
LIQUID 11

PRESSURE DROP, PSI -15.000 95.000
DUTY, MM BTU/HR 21.81166 -63.13821
FLASH TYPE ISOTHERMAL ISOTHERMAL
SPLITTER OUTPUT
UNIT 8, S2, VENT GAS

STREAM ID FLOW FRACTION ------------------------- RATES --------------------
LB-MOL/HR LB/HR
----------------- ------------------------- ------------------------- --------------------
FEED 12 3297.770 12106.468

PRODUCTS 13 0.0683 225.168 826.615
14 0.9317 3072.602 11279.853

PRESSURE DROP, PSIA 0.0000

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RECYCLE COMPRESSOR
UNIT 9, COMP, RECY COMP

FEEDS 14

PRODUCTS VAPOR 5


--------------------- --------------------- ---------------------
TEMPERATURE, F 100.00 153.27 169.61
PRESSURE, PSIA 525.00 715.00 715.00
ENTHALPY, MM BTU/HR -4.6335 -3.4682 -3.1037
CP, BTU/LB-MOL-F 7.1817 7.2692
CV, BTU/LB-MOL-F 5.0988 5.1701
CP/(CP-R) 1.3822 1.3759
CP/CV 1.4085 1.4060
HEAD, FT
ADIABATIC 80364.88
POLYTROPIC 79126.63
ACTUAL 105502.16
WORK, HP
THEORETICAL 457.99
POLYTROPIC 450.93
ACTUAL 601.24

NOTE: POLYTROPIC AND ISENTROPIC COEFFICIENTS are
CALCULATED FROM TEMPERATURE EQUATION.
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HDS REACTOR
UNIT 4, RX13, HDS REACTOR


REACTOR TYPE ADIABATIC REACTOR
DUTY, MM BTU/HR -6.198E-04

INLET OUTLET
--------------------- ---------------------
FEED 8
MIXED PRODUCT 9
PRESSURE, PSIA 725.0000 625.0000

REACTION DATA

----------------- RATES, LB-MOL/HR ----------------- FRACTION
------------------------------------ --------------------- --------------------- --------------------- ---------------------
1 H2 3099.4314 -61.0000 3038.4314 0.0197
2 C1 231.3269 0.0000 231.3269
3 C2 65.4483 0.0000 65.4483
4 H2S 37.6268 4.6600 42.2868
5 C3 5.6820 0.0000 5.6820
6 IC4 5.0681 0.0000 5.0681
7 NC4 1.9032 0.0000 1.9032
8 IC5 0.9624 0.0000 0.9624
9 NC5 3.3579 0.0000 3.3579
10 NBP 220 0.5747 0.1100 0.6847
11 NBP 260 3.9142 0.6600 4.5742
12 NBP 290 11.4829 1.8800 13.3629
13 NBP 310 8.1600 1.3900 9.5500
14 NBP 328 15.3824 -0.0300 15.3524 0.0020
15 NBP 340 9.6852 -0.0200 9.6652 0.0021
16 NBP 352 33.9671 -0.0700 33.8971 0.0021
17 NBP 364 18.9676 -0.0400 18.9276 0.0021
18 NBP 376 110.5353 -0.2200 110.3153 0.0020
19 NBP 392 142.7342 -0.2900 142.4442 0.0020
20 NBP 410 223.4395 -0.4500 222.9894 0.0020
21 NBP 431 206.6264 -0.4100 206.2164 0.0020
22 NBP 470 503.5398 -1.0000 502.5398 0.0020
23 NBP 515 141.0079 -0.2800 140.7279 0.0020
24 NBP 550 40.2020 -0.0800 40.1220 0.0020

TOTAL 4921.0269 -55.1909 4865.8359
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HDS REACTOR (Cont)
UNIT 4, RX13, HDS REACTOR (CONT)


--------------------- RATES, LB/HR --------------------- FRACTION
------------------------------------ --------------------- --------------------- --------------------- ---------------------
1 H2 6248.4536 -122.9756 6125.4780 0.0197
2 C1 3711.1782 0.0000 3711.1782
3 C2 1968.0303 0.0000 1968.0303
4 H2S 1282.2845 158.8082 1441.0928
5 C3 250.5584 0.0000 250.5584
6 IC4 294.5758 0.0000 294.5758
7 NC4 110.6235 0.0000 110.6235
8 IC5 69.4353 0.0000 69.4353
9 NC5 242.2754 0.0000 242.2754
10 NBP 220 58.0438 11.1100 69.1538
11 NBP 260 438.3959 73.9200 512.3160
12 NBP 290 1389.4269 227.4801 1616.9070
13 NBP 310 1036.3153 176.5300 1212.8453
14 NBP 328 2061.2371 -4.0200 2057.2170 0.0020
15 NBP 340 1336.5518 -2.7600 1333.7917 0.0021
16 NBP 352 4857.2949 -10.0098 4847.2852 0.0021
17 NBP 364 2807.2026 -5.9199 2801.2827 0.0021
18 NBP 376 1.691E+04 -33.6602 1.688E+04 0.0020
19 NBP 392 2.284E+04 -46.4023 2.279E+04 0.0020
20 NBP 410 3.731E+04 -75.1523 3.724E+04 0.0020
21 NBP 431 3.637E+04 -72.1563 3.629E+04 0.0020
22 NBP 470 9.819E+04 -195.0000 9.800E+04 0.0020
23 NBP 515 3.046E+04 -60.4785 3.040E+04 0.0020
24 NBP 550 9447.4600 -18.7998 9428.6602 0.0020

TOTAL 2.797E+05 0.5000 2.797E+05
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FEED PREHEATER
UNIT 5, EX, FEED PREHEAT


LMTD, F 84.262
F FACTOR (FT) 1.000
MTD, F 84.262
U*A, BTU/HR-F 612185.313

--------------------- ---------------------
FEED 9
MIXED PRODUCT 10
VAPOR, LB-MOL/HR 4389.065 3405.485
M LB/HR 197.618 33.883
CP, BTU/LB-F 0.733 1.077
LIQUID, LB-MOL/HR 476.771 1460.351
M LB/HR 82.070 245.806
CP, BTU/LB-F 0.741 0.665
TOTAL, LB-MOL/HR 4865.836 4865.836
M LB/HR 279.688 279.688

--------------------- ---------------------
FEED 6
MIXED PRODUCT 7
VAPOR, LB-MOL/HR 3350.776 3782.787
M LB/HR 17.049 89.326
CP, BTU/LB-F 1.584 0.812
LIQUID, LB-MOL/HR 1570.251 1138.240
M LB/HR 262.638 190.362
CP, BTU/LB-F 0.594 0.714
TOTAL, LB-MOL/HR 4921.026 4921.026
M LB/HR 279.687 279.687
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STREAM COMPONENT OUTPUT
STREAM ID DUM1 H2 1 2
NAME FEED HC TOTAL MAKEUP
PHASE VAPOR VAPOR LIQUID VAPOR

1 H2 0.0000 205.1491 0.0000 300.0000
2 C1 15.3645 0.0000 0.0000 32.8130
3 C2 3.3869 0.0000 0.0000 19.9160
4 H2S 1.7430 0.0000 0.0000 14.0710
5 C3 0.1874 0.0000 0.0000 3.1480
6 IC4 0.0939 0.0000 0.0000 3.7930
7 NC4 0.0278 0.0000 0.0000 1.5250
8 IC5 0.0066 0.0000 0.0000 0.8720
9 NC5 0.0181 0.0000 0.0000 3.1110
10 NBP 220 0.0000 0.0000 0.5700 0.0000
11 NBP 260 0.0000 0.0000 3.9002 0.0000
12 NBP 290 0.0000 0.0000 11.4605 0.0000
13 NBP 310 0.0000 0.0000 8.1493 0.0000
14 NBP 328 0.0000 0.0000 15.3706 0.0000
15 NBP 340 0.0000 0.0000 9.6794 0.0000
16 NBP 352 0.0000 0.0000 33.9514 0.0000
17 NBP 364 0.0000 0.0000 18.9608 0.0000
18 NBP 376 0.0000 0.0000 110.5047 0.0000
19 NBP 392 0.0000 0.0000 142.7060 0.0000
20 NBP 410 0.0000 0.0000 223.4094 0.0000
21 NBP 431 0.0000 0.0000 206.6087 0.0000
22 NBP 470 0.0000 0.0000 503.5212 0.0000
23 NBP 515 0.0000 0.0000 141.0060 0.0000
24 NBP 550 0.0000 0.0000 40.2017 0.0000


TEMPERATURE, F 100.0000 100.0000 380.0000 115.0000
PRESSURE, PSIA 100.0000 100.0000 714.9999 714.9999
ENTHALPY, MM BTU/HR 0.0447 -0.3820 40.5845 -0.1458
MOLE FRAC VAPOR 1.0000 1.0000 0.0000 1.0000
MOLE FRAC LIQUID 0.0000 0.0000 1.0000 0.0000
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STREAM COMPONENT OUTPUT (Cont)
STREAM ID 5 6 7 8
NAME RECYCLE GAS COMB FEED RX INLET
PHASE VAPOR MIXED MIXED MIXED

1 H2 2799.4312 3099.4314 3099.4314 3099.4314
2 C1 199.2751 231.3269 231.3269 231.3269
3 C2 45.5791 65.4483 65.4483 65.4483
4 H2S 23.5714 37.6268 37.6268 37.6268
5 C3 2.5355 5.6820 5.6820 5.6820
6 IC4 1.2755 5.0681 5.0681 5.0681
7 NC4 0.3783 1.9032 1.9032 1.9032
8 IC5 0.0904 0.9624 0.9624 0.9624
9 NC5 0.2469 3.3579 3.3579 3.3579
10 NBP 220 0.0047 0.5747 0.5747 0.5747
11 NBP 260 0.0141 3.9142 3.9142 3.9142
12 NBP 290 0.0224 11.4829 11.4829 11.4829
13 NBP 310 0.0106 8.1600 8.1600 8.1600
14 NBP 328 0.0117 15.3824 15.3824 15.3824
15 NBP 340 0.0057 9.6852 9.6852 9.6852
16 NBP 352 0.0157 33.9671 33.9671 33.9671
17 NBP 364 0.0068 18.9676 18.9676 18.9676
18 NBP 376 0.0306 110.5353 110.5353 110.5353
19 NBP 392 0.0281 142.7342 142.7342 142.7342
20 NBP 410 0.0300 223.4394 223.4394 223.4394
21 NBP 431 0.0177 206.6264 206.6264 206.6264
22 NBP 470 0.0186 503.5398 503.5398 503.5398
23 NBP 515 0.0020 141.0079 141.0079 141.0079
24 NBP 550 2.5965E-04 40.2020 40.2020 40.2020


TEMPERATURE, F 169.6148 341.3509 565.0001 635.0001
PRESSURE, PSIA 714.9999 714.9999 710.0000 725.0000
ENTHALPY, MM BTU/HR -3.1037 37.3334 88.9175 110.7292
MOLE FRAC VAPOR 1.0000 0.6809 0.7687 0.8829
MOLE FRAC LIQUID 0.0000 0.3191 0.2313 0.1171
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STREAM ID 9 10 11 12
NAME RX PRODUCT SEP NET LIQ SEPARAT GAS
PHASE MIXED MIXED LIQUID VAPOR

1 H2 3038.4314 3038.4314 33.8510 3004.5801
2 C1 231.3269 231.3269 17.4485 213.8784
3 C2 65.4483 65.4483 16.5291 48.9192
4 H2S 42.2868 42.2868 16.9880 25.2988
5 C3 5.6820 5.6820 2.9606 2.7213
6 IC4 5.0681 5.0681 3.6991 1.3690
7 NC4 1.9032 1.9032 1.4972 0.4060
8 IC5 0.9624 0.9624 0.8654 0.0970
9 NC5 3.3579 3.3579 3.0929 0.2650
10 NBP 220 0.6847 0.6847 0.6797 0.0050
11 NBP 260 4.5742 4.5742 4.5591 0.0151
12 NBP 290 13.3629 13.3629 13.3389 0.0240
13 NBP 310 9.5500 9.5500 9.5386 0.0114
14 NBP 328 15.3524 15.3524 15.3398 0.0126
15 NBP 340 9.6652 9.6652 9.6590 0.0062
16 NBP 352 33.8971 33.8971 33.8803 0.0168
17 NBP 364 18.9276 18.9276 18.9203 0.0073
18 NBP 376 110.3153 110.3153 110.2824 0.0328
19 NBP 392 142.4442 142.4442 142.4140 0.0302
20 NBP 410 222.9894 222.9894 222.9573 0.0322
21 NBP 431 206.2164 206.2164 206.1975 0.0190
22 NBP 470 502.5398 502.5398 502.5199 0.0199
23 NBP 515 140.7279 140.7279 140.7258 0.0021
24 NBP 550 40.1220 40.1220 40.1217 2.7867E-04


TEMPERATURE, F 630.8286 447.2042 100.0000 100.0000
PRESSURE, PSIA 625.0000 620.0001 525.0000 525.0000
ENTHALPY, MM BTU/HR 110.9630 59.3798 1.2147 -4.9731
MOLE FRAC VAPOR 0.9020 0.6999 0.0000 1.0000
MOLE FRAC LIQUID 0.0980 0.3001 1.0000 0.0000
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STREAM ID 13 14
NAME EXCESS-VENT RECYCLE GAS
PHASE VAPOR VAPOR

1 H2 205.1491 2799.4312
2 C1 14.6034 199.2751
3 C2 3.3401 45.5791
4 H2S 1.7274 23.5714
5 C3 0.1858 2.5355
6 IC4 0.0935 1.2755
7 NC4 0.0277 0.3783
8 IC5 0.0066 0.0904
9 NC5 0.0181 0.2469
10 NBP 220 3.4184E-04 0.0047
11 NBP 260 0.0010 0.0141
12 NBP 290 0.0016 0.0224
13 NBP 310 7.7759E-04 0.0106
14 NBP 328 8.5812E-04 0.0117
15 NBP 340 4.2100E-04 0.0057
16 NBP 352 0.0011 0.0157
17 NBP 364 4.9668E-04 0.0068
18 NBP 376 0.0022 0.0306
19 NBP 392 0.0021 0.0281
20 NBP 410 0.0022 0.0300
21 NBP 431 0.0013 0.0177
22 NBP 470 0.0014 0.0186
23 NBP 515 1.4297E-04 0.0020
24 NBP 550 1.9028E-05 2.5965E-04


TEMPERATURE, F 100.0000 100.0000
PRESSURE, PSIA 525.0000 525.0000
ENTHALPY, MM BTU/HR -0.3396 -4.6335
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TURBO-EXPANDER GAS
PLANT OPTIMIZATION
The objective of this study is to maximize the profit generated by an existing
Turbo-Expander Gas Plant. The process recovers gas liquids from a natural gas
feed stream while maintaining a gross heating value of 100 Btu/SCF in the residue
gas. The cold expander and deethanizer pressures are fixed by the expander
discharge pressure. The objective function is calculated from the cost of the feed,
products and plant utilities. The split ratio of the feed at the inlet heat exchangers
and the expander discharge pressure are varied to achieve maximum profit. The
range of the optimization variables is 1 to 15% for the feed split and 50 to 400 psia
for the expander discharge pressure.
Process
Data
The flowsheet for this problem is shown in Figure A4.1. The feed stream composition
is given in Table A4.1, and the known process conditions in Table A4.2. The
specifications on the C2 and C3 content of the NGL and sales gas, respectively, are
given in Table A4.3. Table A4.4 gives the costing information used in calculating the
plant profit.
Figure A4.1
Turbo-Expander Gas Plant
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August 1995
Table A4.1
Feed Stream Composition
Component Mole Percent
N2
0.62
CH4
89.23
C2H6
6.96
C3H8
2.23
iC4H10
0.29
nC4H10
0.47
iC5H12
0.09
nC5H12
0.07
C6H14
0.03
C7H16
0.01
Table A4.2
Process Information
Temperature
(F)
Pressure
(psia)
Rate
(MMSCF/hr)
Feed 120 510 0.625
Sales Gas 120 150
NGL 104 150
Adiabatic Efficiency (%)
Compressor 70.2
Expander 95.6
Table A4.3
Gas Specifications
lb moles/hr
C2 in NGL 0.1137
C3 in Sales Gas 1.620
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A4-2 TURBO-EXPANDER GAS PLANT OPTIMIZATION PRO/II APPLICATION BRIEFS
August 1995
Table A4.4
Costing Information
Constant Item Cost
C(1) Feed/residue gas $3.40/MMBtu
C(2) Ethane liquids $0.18/gal
C(3) Propane liquids $0.355/gal
C(4) iC4 liquids $0.50/gal
C(5) nC4 liquids $0.505/gal
C(6) C5+ liquids $0.57/gal
C(7) Gross furnace efficiency 65%
C(8) Electricity cost $0.027/kW-Hr
Methods
and Data
Soave-Redlich-Kwong K-values and liquid and vapor phase enthalpies are used.
The Lee-Kesler method is used to calculate liquid densities.
Simulation
Model
The flowsheet is modeled as shown in Figure A4.1. The heat exchangers HX01,
HX04 and HX05 are configured with area and overall heat transfer coefficient values
obtained from a base case simulation model. This allows the model to accurately
predict the heat transfer performance of these heat exchangers as the optimizer
calculations are performed.
The heat exchanger HX03 serves as the deethanizer condenser on one side and
heats the cold flash product gas on the other. This exchanger is specified with the
ATTACH COLUMN statement in place of the usual hot or cold side specifications.
The hot side feed and product information are therefore retrieved from the internal
column which connects automatically to the heat exchanger. The pressure drop in
the exchanger is also automatically set to the column condenser pressure drop.
The OPTIMIZER unit maximizes a CALCULATOR result based on the overall plant
profit using a set of product values for the sales gas and NGL product streams, utility
costs for the column reboiler, compressors, coolers as well as the cost of the feed
gas. The optimization variables used are the feed split between the two inlet heat
exchangers and the expander discharge pressure. DEFINE statements set the cold
separator and deethanizer column pressures equal to the expander outlet pressure
minus 5 psia via a second CALCULATOR unit.
Solution
Strategy
During an optimization, the process flowsheet is solved repeatedly at different values
of the optimization variables. Each optimization cycle involves a base case flowsheet
solution and one perturbation solution for every optimization variable. Therefore, for
our application involving 2 optimization variables, each optimization cycle involves
3 solutions. The perturbation solutions evolve from the base case and are used to
calculate finite difference approximations to the derivatives of the optimizer specifi-
cations, constraints and objective function. This has 2 important consequences:
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Since this derivative information is used to generate each new search direction
it is important to limit the level of flowsheet noise by using tight flowsheet
tolerances.
An effective solution strategy for the base case simulation is necessary because
the solution time for flowsheet optimization is highly dependent on the solution
time for the base case.
Let us therefore begin by examining the process flowsheet in order to determine the
most effective solution strategy.
Elimination of Recycle Loops
The flowsheet shown in Figure A4.1 has one recycle loop comprised of units HX01,
HX02, MX01, FL01, EXP1, CAL2, FL02, COL1, PU01, HX03, and MX02. One
approach is to provide initial streams for the recycle streams HF03 and RG03 and
then use standard PRO/II recycle convergence techniques to converge the mass
and energy balances.
On closer examination, we see that the recycle loop can be eliminated altogether.
We know that the composition of stream FD05 is identical to that of the feed stream
FD00. We define a new stream FD05X that is the outlet of mixer MX01 and use the
REFSTREAM capability to set the conditions of stream FD05 to those of the feed.
The mass balance in the flowsheet is now satisfied immediately. We initialize the
temperature of FD05 and use a CONTROLLER unit to vary the temperature until it
matches that of FD05X, thus satisfying the energy balance. The units inside this
temperature loop can be solved in the following order:
FL01,EXP1,CAL2,FL02,SP01,HX01,COL1,HX03,MX02,HX02,MX01
Note that initial estimates for streams HF03 and RG03 are no longer required. The
advantages of using a REFSTREAM and a CONTROLLER to converge this
flowsheet are reduced execution time and automatic satisfaction of the mass
balance.
Merging Units
To save calculation time and simplify the flowsheet, we merge the expander EXP1
with the adiabatic flash that follows it.
Adding the Optimization
The CONTROLLER we propose to use requires a majority of the flowsheet units to
be solved. This implies that it will be more efficient to include the controller
specification and variable as part of the optimizer instead of fully converging the
controller at every optimization step. The OPTIMIZER therefore now looks as
follows:
Maximize PROFIT
such that TEMPERATURE OF STREAM FD05 =
TEMPERATURE OF STREAM FD05X
(or Temperature of FD05 - Temperature of FD05X =0)
by varying FEED SPLIT,
EXPANDER DISCHARGE PRESSURE,
and TEMPERATURE OF STREAM FD05.
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Note that the variables are perturbed in the order in which they appear in the
optimizer, and this order can have a significant impact on the execution time. For
this problem, splitter SP01 appears after the expander EXP1 in the sequence
statement. If the split fraction variable appears first, the optimizer resolves all the
units from the splitter to perturb the split fraction and then all the units from the
expander to perturb the discharge pressure.
If, on the other hand, the discharge pressure is placed before the split fraction, then
the optimizer must return to the expander during both perturbations. The units
between the expander and splitter must be reset to their base case values to
generate the derivatives with respect to the split fraction, resulting in additional
execution time.
Modifying the Execution Sequence
Notice that the calculation of the profit requires data from the pump, PU01, but
requires no data from heat exchanger HX06, the NGL cooler. Therefore, this heat
exchanger can be moved outside of the optimization loop. Similarly, data from the
compressor CMP2 is required, but the only data required from HX05, the after
cooler, is the stream composition, which can be determined prior to the calculation
of HX05. Therefore we can move the calculation of HX05 outside the optimization
loop, saving more time.
Input Data English units are used for the simulation. The default liquid volume units are changed
from ft
3
to barrels.
The keyword EQUILIBRIUM should be changed to BUBBLE for PRO/II version 3.51
and earlier. (Note 1)
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Input Data File
TITLE PROJECT=APPBRIEFS, PROBLEM=A4, USER=SIMSCI, DATE=08/21/95
DESCRIPTION TURBO-EXPANDER GAS PLANT OPTIMIZATION
PRINT INPUT=NONE, STREAM=COMPONENT, MBALANCE
DIMENSION ENGLISH
SEQUENCE DEFINED=FL01,EXP1,CAL2,SP01,HX01,COL1,HX03,MX02,HX02,MX01, &
CMP1,HX04,CMP2,PU01,CAL1,OPT1,HX05,HX06
COMPONENT DATA
LIBID 1,NITROGEN/2,METHANE/3,ETHANE/4,PROPANE/5,IBUTANE/6,BUTANE/ &
7,IPENTANE/8,PENTANE/9,HEXANE/10,HEPTANE
THERMODYNAMIC DATA
METHOD KVAL(VLE)=SRK, ENTHALPY(L)=SRK, ENTHALPY(V)=SRK, &
DENSITY(L)=LK, DENSITY(V)=SRK, ENTROPY(L)=SRK, &
ENTROPY(V)=SRK, SET=SET01, DEFAULT
STREAM DATA
PROPERTY STREAM=FD00, TEMPERATURE=120, PRESSURE=510, PHASE=M, &
RATE(GV)=625000, COMPOSITION(M)=1,0.62/2,89.23/3,6.96/4,2.23/ &
5,0.29/6,0.47/7,0.09/8,0.07/9,0.03/10,0.01
PROPERTY STREAM=FD05, TEMPERATURE=-40, REFSTREAM=FD00
OUTPUT FORMAT=GAS, STREAM=FD00,RG08,NGL3
UNIT OPERATIONS
FLASH UID=FL01, NAME=HOT FLASH
FEED FD05
PRODUCT V=HF01, L=HF02
ADIABATIC PRESSURE=505
EXPANDER UID=EXP1, NAME=EXPANDER
FEED HF01
PRODUCT V=CF02, L=CF05
OPERATION PRES=200, TESTIMATE=-119, EFF=95
CALCULATOR UID=CAL2, NAME=PRES CALC
DEFINE P(1) AS EXPANDER=EXP1, PRES(PSIA)
PROCEDURE
R(1) = P(1) - 5.0
RETURN
SPLITTER UID=SP01, NAME=FEED SPLIT
FEED FD00
PRODUCT M=FD01, M=FD02
OPERATION OPTION=FILL
SPEC STREAM=FD02, RATE(LBM/H), DIVIDE, REFFEED, VALUE=0.06
HX UID=HX01, NAME=FEED-SEP HX
HOT FEED=FD02, M=FD04
COLD FEED=HF02, M=HF04
CONFIGURE COUNTER, U=50, AREA=53.326, TPASS=1, SPASS=1
COLUMN UID=COL1, NAME=DE-C2
PARAMETER TRAY=16,IO=30 ERRINC=1.5
FEED CF05,6/HF04,12
PRODUCT OVHD(M)=RG01,65, BTMS(M)=NGL1
CONDENSER TYPE=PART
DUTY 1,1,-0.249998/2,16,0.649993
PSPEC DPCOLUMN=5
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PRINT PROPTABLE=BRIEF, ITERATION=NONE
ESTIMATE MODEL=CONVENTIONAL
TEMPERATURE 1,-85/2,-70.0006/3,-59.9998/4,-50.0008/5,-40/ &
6,-25.0006/7,-5.0008/8,-2.0002/9,1.9994/10,6.0008/ &
11,15.0008/12,32/13,55.0004/14,68/15,80.9996/ &
16,39.9992
VAPOR(M) 1,65/2,85.9999/3,89/4,76/5,70/6,70/7,54/8,53/9,58/ &
10,59/11,61/12,59/13,26/14,32/15,33/16,40
SPEC STREAM=NGL1, RATE(LBM/H), COMP=3, VALUE=0.1137, &
RTOLER=0.0001
SPEC STREAM=RG01, RATE(LBM/H), COMP=4, VALUE=1.62, &
RTOLER=0.0001
DEFINE PCOND(PSIA) AS CALCULATOR=CAL2, R(1)
DEFINE PTOP(PSIA) AS CALCULATOR=CAL2, R(1)
VARY DUTY=1,2
TOLERANCE KVALUE=1E-6, EQUILIBRIUM=1E-6, ENTHALPY=1E-6 $Note 1
HX UID=HX03, NAME=DE-C2 COND
COLD FEED=CF02, M=CF04
ATTACH COLUMN=COL1, TYPE=CONDENSER
CONFIGURE COUNTER, TPASS=1, SPASS=1
MIXER UID=MX02, NAME=RGAS MIXER
FEED RG01,CF04
PRODUCT V=RG03
HX UID=HX02, NAME=FD-PROD HX
HOT FEED=FD01, M=FD03
COLD FEED=RG03, M=RG04
OPER CTEMP=110, TOL=1E-5
MIXER UID=MX01, NAME=FEED MIXER
FEED FD03,FD04
PRODUCT M=FD05X
COMPRESSOR UID=CMP1, NAME=RGAS COMPR1
FEED RG04
PRODUCT V=RG05
OPERATION CALCULATION=GPSA, EFF=65.19, WTOL=1E-5
DEFINE WORK(HP) AS EXPANDER=EXP1, WORK(HP), TIMES,1
HX UID=HX04, NAME=INTER COOLER
HOT FEED=RG05, M=RG06
UTILITY AIR, TIN=84.999, TEMPERATURE=115
COMPRESSOR UID=CMP2, NAME=RGAS COMPR2
FEED RG06
PRODUCT M=RG07
OPERATION CALCULATION=GPSA, PRES=510, EFF=70.25
PUMP UID=PU01, NAME=NGL PUMP
FEED NGL1
PRODUCT L=NGL2
OPERATION PRESSURE=275
CALCULATOR UID=CAL1, NAME=OBJECTIVE FC
SEQUENCE STREAM=FD00,RG03,NGL1,RG04
$ CONSTANTS:
$ C(1) = FEED/RESIDUE GAS COST, $/MMBTU
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$ C(2) = C2 LIQUIDS COST, $/GAL
$ C(3) = C3 LIQUIDS COST, $/GAL
$ C(4) = IC4 LIQUIDS COST, $/GAL
$ C(5) = NC4 LIQUIDS COST, $/GAL
$ C(6) = C5+ LIQUIDS COST, $/GAL
$ C(7) = GROSS FURNACE EFFICIENCY, FRACTION
$ C(8) = ELECTRICITY COST, $/KW-HR
$ C(9) = HP-HR TO KW-HR CONVERSION
$ C(11) TO C(20) HEATING VALUE FOR COMPONENTS
$ 1 THROUGH 11, BTU/SCF
CONSTANT 1,3.4/2,0.18/3,0.355/4,0.5/5,0.505/6,0.57/7,0.65/ &
8,0.027/9,1.3414/10,0/11,0/12,1009/13,1768.7/ &
14,2517.2/15,3252.6/16,3262/17,3999.7/18,4008.7/ &
19,4756.1/20,5502.8
DEFINE P(1) AS STREAM=FD00, RATE(LBM/H)
DEFINE P(2) AS STREAM=RG03, RATE(LBM/H)
DEFINE P(3) AS STREAM=NGL1, RATE(LV,BBL/H)
DEFINE P(4) AS COMPRESSOR=CMP2, WORK(HP)
DEFINE P(5) AS PUMP=PU01, WORK(HP)
DEFINE P(6) AS COLUMN=COL1, DUTY(2,BTU/H)
PROCEDURE
$ HEATING VALUE OF FEED STREAM, BTU/SCF
V(1) = 0.0
DO 10 IX1 = 1 , 10
10 V(1) = V(1) + SCMF(IX1,FD00)*C(IX1+10)
$ COST OF FEED, $/DAY
R(1) = V(1)*P(1)*379.491*24.0*C(1)/1.0E6
$ HEATING VALUE OF SALES GAS, BTU/SCF
V(2) = 0.0
DO 20 IX1 = 1 , 10
20 V(2) = V(2) + SCMF(IX1,RG04)*C(IX1+10)
$ SALES GAS VALUE, $/DAY
R(2) = V(2)*P(2)*379.491*24.0*C(1)/1.0E6
$ VOLUME FRACTION OF C5+ IN NGL LIQUIDS
V(3) = SCVF(7,NGL1)+SCVF(8,NGL1)+SCVF(9,NGL1)+SCVF(10,NGL1)
$ VALUE OF NGL, $/GAL
V(4) = SCVF(3,NGL1)*C(2) + SCVF(4,NGL1)*C(3) + SCVF(5,NGL1)*C(4)
V(4) = V(4) + SCVF(6,NGL1)*C(5) + V(3)*C(6)
$ VALUE OF NGL, $/DAY
R(3) = P(3)*42.0*24.0*V(4)
$ COMPRESSOR WORK ALLOWING FOR 40% EFFICIENCY, BTU/HR
R(4) = P(4) * 2546.1 / 0.4
$ COMPRESSOR WORK $/DAY
R(4) = R(4) * 24.0 * C(1) / 1.0E+06
$ PUMPING COSTS, $/DAY
R(5) = P(5) * 24.0 * C(9) * C(8)
$ REBOILER DUTY
R(6) = P(6) * 24.0 * C(7) * C(1)
$ COMPRESSOR + PUMP + REBOILER
R(7) = R(4) + R(5) + R(6)
$ PROFIT, $/DAY
R(8) = R(2) + R(3) - R(1) - R(7)
RETURN
OPTIMIZER UID=OPT1, NAME=OPTIMIZER
SPEC STREAM=FD05X, TEMPERATURE(F), MINUS, STREAM=FD05, &
TEMPERATURE(F), VALUE=0, ATOLER=0.001
VARY SPLITTER=SP01, SPEC(1), MINI=0.01, MAXI=0.15, &
STEPSIZE=0.05, APERTURB=0.01
VARY EXPANDER=EXP1, PRES, MINI=50, MAXI=400, APERTURB=1
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VARY STREAM=FD05, TEMPERATURE, MINI=-50, MAXI=-10, STEPSIZE=3, &
APERTURB=0.5
OBJECTIVE CALCULATOR=CAL1, R(8), RTOL=0.0001, MAXIMIZE
OPTPARAMETER OPRINT=ALL
HX UID=HX05, NAME=AFTER COOLER
HOT FEED=RG07, M=RG08
HX UID=HX06, NAME=NGL COOLER
HOT FEED=NGL2, M=NGL3
OPER DUTY=0.04, TOL=1E-5
END
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Results The maximum daily profit for the plant is found to be $686. This result is obtained
after 7 optimization cycles. The optimum expander outlet pressure is 226 psia and
the feed split is at its upper bound, with 15% being sent as the hot-feed to heat
exchanger HX02. At these conditions, the temperature of stream FD05 must be
-41.6 F in order to satisfy the flowsheet heat balance. The optimization output shows
that the shadow prices for variable 1 and the specification are nonzero. Shadow
prices reflect the sensitivity of the objective function to changes in specification
values or to changes in variable bounds or constraints that are binding at the solution
of the optimization. They are interpreted as follows:
If a shadow price is positive then increasing its right hand side (MINI, MAXI or
VALUE) will increase the value of the objective function.
If a shadow price is negative then increasing its right hand side (MINI, MAXI or
VALUE) will decrease the value of the objective function.
Here, the optimal solution has variable 1 at its upper bound with a positive shadow
price. Allowing the feed split to increase beyond 15% would further increase the
profit. Not surprisingly, the shadow price for the specification is also nonzero,
indicating that the profit would increase if we did not have to satisfy the energy
balance!
1) Flowsheet Mass Balance
2) Optimizer Search History
3) Calculator CAL1 Summary
4) Exchanger HX01 Summary
7) Expander EXP1 Summary
8) Compressor CMP1 Summary
9) Column COL1 Summary
10) Gas Format Stream Compositions
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Flowsheet Mass Balance

PLANT MATERIAL BALANCE August 95
==============================================================================

FEED STREAMS: FD00 FD05

PRODUCT STREAMS: FD05X RG08 NGL3

OVERALL PLANT MOLAR BALANCE

-------------------------------- LB-MOL/HR -------------------------------- PERCENT
COMPONENT FEED +REACTION -PRODUCT =DEVIATION DEV
--------------------------------------------------------------------------------------------------------------------------------------------------------
1 NITROGEN 20.422 .000 20.422 .000 .00
2 METHANE 2939.193 .000 2939.193 .000 .00
3 ETHANE 229.259 .000 229.259 .000 .00
4 PROPANE 73.455 .000 73.455 .000 .00
5 IBUTANE 9.552 .000 9.552 .000 .00
6 BUTANE 15.482 .000 15.482 .000 .00
7 IPENTANE 2.965 .000 2.965 .000 .00
8 PENTANE 2.306 .000 2.306 .000 .00
9 HEXANE .988 .000 .988 .000 .00
10 HEPTANE .329 .000 .329 .000 .00

TOTAL 3293.951 .000 3293.951 .000 .00

OVERALL PLANT MASS BALANCE

------------------------------------ LB/HR ------------------------------------ PERCENT
-----------------------------------------------------------------------------------------------------------------------------------------------------
1 NITROGEN 572.10 .00 572.10 .00 .00
2 METHANE 47153.47 .00 47153.47 .00 .00
3 ETHANE 6893.82 .00 6893.82 .00 .00
4 PROPANE 3239.15 .00 3239.15 .00 .00
5 IBUTANE 555.23 .00 555.23 .00 .00
6 BUTANE 899.85 .00 899.85 .00 .00
7 IPENTANE 213.90 .00 213.90 .00 .00
8 PENTANE 166.36 .00 166.36 .00 .00
9 HEXANE 85.16 .00 85.16 .00 .00
10 HEPTANE 33.01 .00 33.01 .00 .00

TOTAL 59812.04 .00 59812.03 .00 .00
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Optimizer Summary
OPTIMIZER SUMMARY August 1995
==============================================================================

UNIT 16, OPT1, OPTIMIZER

BEST OBJECTIVE FUNCTION = 6.86220E+02 AT CYCLE NUMBER 6
*** MAXIMUM VALUE OF VARIABLE 1 IS LIMITING
*** LINE SEARCH BEGINS AT CYCLE 7

VARY ----------------- VARIABLE --------------------
INDEX INITIAL VALUE OPTIMUM VALUE
-------------------------------------------------------------------------
1 6.00000E-02 1.50000E-01
2 2.00000E+02 2.26172E+02
3 -4.00000E+01 -4.16229E+01

----------------------------- SPECIFICATION -----------------------------
SPEC SPECIFIED CALCULATED RELATIVE
INDEX VALUE VALUE ERROR
--------------------------------------------------------------------------------------------------------
1 0.00000E+00 -7.31249E-04 0.00000E+00

OPTIMIZER HISTORY

-------- DERIVATIVES --------
CYCLE 1 2 3 4 5
-----------------------------------------------------------------------------------------------------------------------------------------------------
SPEC 1
/VARY 1 -1.7720E+01 -1.2552E+01 -9.3533E+00 -4.2448E+00 -4.3771E+00
/VARY 2 1.7871E-01 1.6275E-01 1.7456E-01 1.9099E-01 1.8127E-01
/VARY 3 -9.9468E-01 -1.0060E+00 -1.0996E+00 -1.1208E+00 -1.1283E+00
OBJECTIVE
/VARY 1 2.5688E+01 1.7773E+01 1.3338E+01 6.2588E+00 5.9657E+00
/VARY 2 1.2057E+00 5.3028E-01 5.8456E-01 8.8163E-01 5.9481E-01
/VARY 3 -2.8379E+00 -4.5299E+00 -4.0585E+00 -3.2096E+00 -3.8876E+00
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Calculator Summary

CALCULATOR SUMMARY August 95
==============================================================================

UNIT 3, CAL2, PRES CALC

RESULT NAME VALUE RESULT NAME VALUE
----------------------------------------------------------------------------------------------------------------------------------------------------
1 2.21172E+02 2- 200 UNDEFINED

- - - - - - - - - - - - - - - - - - - - - - - - - -

UNIT 15, CAL1, OBJECTIVE FC

RESULT NAME VALUE RESULT NAME VALUE
----------------------------------------------------------------------------------------------------------------------------------------------------
1 5.67495E+04 6 3.34702E+01
2 5.31357E+04 7 3.44256E+02
3 4.64421E+03 8 6.86206E+02
4 3.10570E+02 9- 200 UNDEFINED
5 2.15156E-01
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Exchanger HX01 Summary
HEAT EXCHANGER SUMMARY August 95
==============================================================================

UNIT 5, HX01, FEED-SEP HX


DUTY, MM BTU/HR .160
LMTD, F 60.041
F FACTOR (FT) 1.000
MTD, F 60.041
U*A, BTU/HR-F 2666.302
U, BTU/HR-FT2-F 50.000
AREA, FT2 53.326

-------------------------------------------------
FEED FD02
VAPOR PRODUCT FD04
VAPOR, LB-MOL/HR 247.046 247.046
M LB/HR 4.486 4.486
CP, BTU/LB-F .577 .576
TOTAL, LB-MOL/HR 247.046 247.046
M LB/HR 4.486 4.486
CONDENSATION, LB-MOL/HR .000

-------------------------------------------------
FEED HF02
MIXED PRODUCT HF04
M LB/HR .417
CP, BTU/LB-F .571
M LB/HR 1.415 .999
CP, BTU/LB-F .599 .682
M LB/HR 1.415 1.415
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HEAT EXCHANGER SUMMARY August 95
==============================================================================

UNIT 9, HX02, FD-PROD HX


LMTD, F 17.534
F FACTOR (FT) 1.000
MTD, F 17.534
U*A, BTU/HR-F 163308.115

------------------------------------------------
FEED FD01
MIXED PRODUCT FD03
VAPOR, LB-MOL/HR 1399.929 1345.711
M LB/HR 25.420 23.561
CP, BTU/LB-F .577 .665
M LB/HR 1.860
CP, BTU/LB-F .619
TOTAL, LB-MOL/HR 1399.929 1399.929
M LB/HR 25.420 25.420

------------------------------------------------
FEED RG03
VAPOR PRODUCT RG04
VAPOR, LB-MOL/HR 1606.318 1606.318
M LB/HR 27.842 27.842
CP, BTU/LB-F .540 .549
TOTAL, LB-MOL/HR 1606.318 1606.318
M LB/HR 27.842 27.842
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PROBLEM A4 OUTPUT SIMSCI
HEAT EXCHANGER SUMMARY 08/21/95
==============================================================================

UNIT 7, HX03, DE-C2 COND

HEAT EXCHANGER IS ATTACHED TO COLUMN COL1, UNIT 6 AS A CONDENSER


DUTY, MM BTU/HR .273
LMTD, F 79.492
F FACTOR (FT) 1.000
MTD, F 79.492
U*A, BTU/HR-F 3432.039

------------------------------------------------
STREAM IS FROM COLUMN COL1 , UNIT 6
VAPOR, LB-MOL/HR 100.633 56.596
M LB/HR 2.724 1.326
CP, BTU/LB-F .476 .486
M LB/HR 1.398
CP, BTU/LB-F .689
TOTAL, LB-MOL/HR 100.633 100.633
M LB/HR 2.724 2.724

------------------------------------------------
FEED CF02
VAPOR PRODUCT CF04
VAPOR, LB-MOL/HR 1549.722 1549.722
M LB/HR 26.516 26.516
CP, BTU/LB-F .556 .545
TOTAL, LB-MOL/HR 1549.722 1549.722
M LB/HR 26.516 26.516
TEMPERATURE, F -102.533 -83.835
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Expander EXP1 Summary

EXPANDER SUMMARY August 95
==============================================================================

UNIT 2, EXP1, EXPANDER

FEEDS HF01

PRODUCTS VAPOR CF02
LIQUID CF05


-------------------------------------------------------------------------
TEMPERATURE, F -42.06 -104.02 -102.53
PRESSURE, PSIA 505.00 226.17 226.17
ENTHALPY, MM BTU/HR .8853 .0698 .1106
MOLE PERCENT LIQUID .0000 3.9009 3.6803
ACT VAP RATE, M FT3/MIN .1928
WORK, HP
THEORETICAL 320.48
ACTUAL 304.45
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Compressor CMP1 Summary
COMPRESSOR SUMMARY August 95
==============================================================================

UNIT 11, CMP1, RGAS COMPR1

FEEDS RG04

PRODUCTS VAPOR RG05


-------------------------------------------------------------------------
TEMPERATURE, F 110.00 146.05 163.08
PRESSURE, PSIA 221.17 291.51 291.51
CP, BTU/LB-MOL-F 9.5159 9.9001
CV, BTU/LB-MOL-F 7.2210 7.5885
CP/(CP-R) 1.2637 1.2509
CP/CV 1.3178 1.3046
MOLE PERCENT LIQUID .0000 .0000 .0000
HEAD, FT
ADIABATIC 14109.90
POLYTROPIC 14356.42
ACTUAL 21644.26
WORK, HP
THEORETICAL 198.47
POLYTROPIC 201.94
ACTUAL 304.46

NOTE: POLYTROPIC AND ISENTROPIC COEFFICIENTS
CALCULATED FROM HEAD EQUATION
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Column COL1 Summary
COLUMN SUMMARY August 95
==============================================================================

UNIT 6, COL1, DE-C2


IN/OUT METHOD 191

COLUMN SUMMARY

---------------------------------------------------------------------------------------------------------------------------------------------------------
1C -31.1 221.17 44.0 56.6V -.2728
2 4.3 221.17 41.7 100.6
3 21.1 221.53 39.9 98.3
4 30.8 221.89 39.1 96.5
5 36.1 222.24 38.2 95.7
6 40.6 222.60 106.6 94.8 59.2M
7 71.9 222.96 113.3 104.0
8 84.4 223.31 115.7 110.7
9 90.5 223.67 116.8 113.1
10 94.0 224.03 116.9 114.1
11 96.9 224.39 115.6 114.3
12 102.2 224.74 135.3 113.0 38.0M
13 118.2 225.10 142.7 94.7
14 124.2 225.46 143.4 102.1
15 130.5 225.81 140.2 102.7
16R 143.5 226.17 99.6 40.7L .6310

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Column COL1 Summary, contd.

---------------------------------------------------------------------------------------------------------------------------------------------------------
FEED CF05 MIXED 6 .9961 59.21 -.1784
FEED HF04 MIXED 12 .4354 38.04 .0882
PROD RG01 VAPOR 1 56.60 .1241
PROD NGL1 LIQUID 16 40.66 .1440


SPECIFICATIONS

---------------------------------------------------------------------------------------------------------------------------------------------
STRM NGL1 16 3 MOL RATE 1.137E-01 1.137E-01
STRM RG01 1 4 MOL RATE 1.620E+00 1.620E+00

COLUMN SUMMARY August 95
==============================================================================

UNIT 6, COL1, DE-C2 (CONT)

REFLUX RATIOS

---------------- REFLUX RATIOS ----------------
-----------------------------------------------------------------
REFLUX / FEED STREAM CF05 .7437 .7080 .7790
REFLUX / FEED STREAM HF04 1.1577 .9879 1.1809
REFLUX / TOTAL FEED .4528 .4124 .4694
REFLUX / VAPOR DISTILLATE .7781 1.0544 .9274
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Gas Format Stream Compositions
GAS PROCESSOR PROPERTIES SET August 95
==============================================================================

STREAM ID FD00 RG08 NGL3
NAME
PHASE VAPOR VAPOR LIQUID

--------- TOTAL STREAM ---------

TEMPERATURE, F 120.00 117.00 117.13
PRESSURE, PSIA 510.000 510.000 275.000
RATE, LB-MOL/HR 1646.9757 1606.3176 40.6581
RATE, LB/HR 29906.0184 27841.8786 2064.1378
ENTHALPY, MM BTU/HR 3.8370 3.4234 .1046
ENTHALPY, BTU/LB 128.3015 122.9604 50.6658

--------- VAPOR PHASE ------------

RATE, LB-MOL/HR 1646.9757 1606.3176 N/A
RATE, LB/HR 29906.0184 27841.8786 N/A
ACT RATE, FT3/MIN 315.9266 308.2272 N/A
STD VAP RATE(1), M FT3/HR 625.0000 609.5709 N/A
RATE C2+, GAL/M STD FT3 2.7861 2.1078 N/A
RATE C3+, GAL/M STD FT3 .9298 .2064 N/A
ENTHALPY, BTU/LB 128.3015 122.9604 N/A
CP, BTU/LB-F .5768 .5812 N/A
CV, BTU/LB-F .4228 .4234 N/A
CP/CV RATIO 1.3643 1.3729 N/A
ENTROPY, BTU/LB-F 2.4736 2.5637 N/A
IDEAL GHV, BTU/STD FT3 1113.3374 1068.8675 N/A
IDEAL LHV, BTU/STD FT3 1006.0398 964.5543 N/A
WOBBE INDEX 52526.0991 51601.8657 N/A
ACT DENSITY, LB/BBL 8.8581 8.4527 N/A
COMPRESSIBILITY (Z) .9436 .9488 N/A
PSEUDO CRIT. TEMP, F -91.6637 -100.2373 N/A
PSEUDO CRIT. PRES, PSIA 666.5125 668.6143 N/A

--------- LIQUID PHASE ---------

RATE, LB-MOL/HR N/A N/A 40.6581
RATE, LB/HR N/A N/A 2064.1378
ACT RATE, GAL/MIN N/A N/A 8.2634
STD LV RATE, GAL/MIN N/A N/A 7.6073
ENTHALPY, MM BTU/HR N/A N/A .1046
ENTHALPY, BTU/LB N/A N/A 50.6658
CP, BTU/LB-F N/A N/A .6857
MOLECULAR WEIGHT N/A N/A 50.7682
ACT DENSITY, LB/BBL N/A N/A 174.8556
STD SP.GR. N/A N/A .5424

(1) STANDARD VAPOR VOLUME IS 379.49 FT3/LB-MOLE (60 F AND 14.696 PSIA)
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ALKYLATION
For years your company has operated a sulfuric acid alkylation plant with little
consideration for revamp or modernization. The Clean Air Act Ammendments are
causing your company to take a fresh look at how this plant will be best utilized in
the era of reformulated, low RVP, low aromatics gasoline.
One possiblity for revamp is to change the conventional deisobutanizer into an
iso-stripper operation. This tends to increase the recycle rate which, in turn, results
in a higher isobutane content in the reactor. The bottom line is higher alkylate quality
and lower acid consumption at the cost of a larger settler and increased mixing costs.
You have been asked to establish the process conditions for this new operation.
Process
Data
The flowsheet is given in Figure A5.1. For the purpose of establishing the process
conditions, the various caustic wash units (for removal of H2SO4) are not considered.
Also, for simulation purposes, the acid is considered to be pure H2SO4. Typically,
96 wt % acid is used in the actual plant.
Figure A5.1
H2SO4 Alkylation
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PRO/II APPLICATION BRIEFS H2SO4 ALKYLATION A5-1
February 1992
The feed streams are given in Table A5.1. The saturated feed is depropanized. A
supplemental isobutane feed is added to the bottoms and chilled in the economizer.
The chilled liquid enters the first reactor chamber, along with isobutane recycle and
acid. Twenty-five percent of the olefin is injected adjacent to the impeller blades in
each reaction chamber. In the presence of excess isobutane, all of the olefin reacts
to form primarily isooctane alkylate.
Table A5.1
Feed Stream Conditions
Stream ID
Saturated
Feed
1
Olefin
Feed
2
Makeup
Isobutane
3
Component rate, bbl/hr
methane 2.0 -- --
ethane 10.0 -- --
propane 100.0 9.0 --
isobutane 187.5 95.0 36.0
normal butane 100.0 50.0 9.0
propene -- 9.0 --
isobutene -- 14.0 --
2 butene -- 175.0 --
1 butene -- 56.0 --
isopentane -- 5.0 --
Total rate, bbl/hr 399.5 413.0 45.0
Temperature (F)
100.0 100.0 100.0
Pressure (psia)
400.0 215.0 400.0
This particular alkylation reactor has an autorefrigeration feature. Alkylation is an
exothermic reaction. However, as the hydrocarbon is cascaded from one reaction
chamber to the next, sufficient vaporization takes place to keep the mixture at
temperatures low enough (40-50 F) to prevent acid runaway (increase in acid
consumption). The vapors are collected and recycled through a refrigeration circuit.
The reactor effluent is stripped of isobutane (which is recycled), and debutanized to
an RVP of 12.0.
Methods
and Data
Soave-Redlich-Kwong (SRK) is used to model the hydrocarbon streams. There are
three approaches to modeling the acid stream:
1. The most rigorous method of modeling the acid stream is to provide alpha
parameters for the H2SO4 that predict the heat capacity, and SRK interaction
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A5-2 H2SO4 ALKYLATION PRO/II APPLICATION BRIEFS
February 1992
parameters that predict H2SO4-hydrocarbon mutual solubility. Since for all
practical purposes the H2SO4 and hydrocarbon are totally immiscible, setting
Kij equal to 0.5 for all acid- hydrocarbon binaries will yield acceptable results.
Moreover, since the PRO/II REACTOR module does not support rigorous VLLE,
the products from each reaction chamber should be adiabatically flashed to
calculate the exit conditions. This method is the most CPU intensive and is not
used here.
2. A similar, but less CPU intensive method is to replace the rigorous three phase
flash with a STCALC (STream CALCulator) module. The special alpha formu-
lation is still used to predict the correct H2SO4 heat capacity, but the Kijs are
not required. This produces virtually identical results as option 1. This method
is used here.
3. A third option would be to label the acid as a solid component, i.e., a component
with heat capacity but no effect on vapor pressure. This is the least CPU
intensive method of the three, but will result in output reports that label sulfuric
acid as a solid.
Simulation
Model
We assume for this simulation that cooling water exists to cool process streams to
as low as 100 F. Estimates for recycle streams are provided to improve CPU time.
The flowsheet is split into a control and two recycle loops. The control loop is
innermost and fixes the separator outlet temperature at 45 F. The inner recycle loop
solves the reactor effluent/product separation circuit. The outer loop includes the
recycle back to the depropanizer. Note that the reactor is solved on every pass
through each loop, which is why the CPU time is impacted if rigorous three phase
flashes are performed for the reactor simulation.
The compressor requirements are solved outside the loop. A simple flash drum
simulates the exit conditions of the aftercooler for the purposes of solving the recycle.
The two compressor stages and the aftercooler are modeled separately after all loops
are solved.
The yields for reacting isobutane with each of the existing olefins are taken from Cupit,
et al
1
. As olefin is injected into each reaction chamber, we assume that the reaction
proceeds instantaneously to 100% consumption of olefin. In practice, this is a good
assumption provided adequate mixing occurs. The consumption of acid and production
of acid-soluble reaction by- products is ignored in this simulation. PRO/II automatically
predicts the heats of reaction from pure component heat of formation data.
Input
Data
English units are used, with barrels for liquid volume units and specific gravity for standard
density. Liquid volume rate printout is requested. The special alpha formulation that
predicts the acid heat capacity is provided on the SA06 statement in the Thermodynamic
Data Category. User-defined output reports are requested in the Stream Data Category
for reporting the flowsheet feeds and products on a volume basis.
1. Cupit, C. R., J. E. Gwyn, and E. C. Jernigan, Special Report Catalytic Alkylation,
Petroleum and Chemical Engineering vol. 33, no. 47, 1961 and vol. 34, no. 44, 1962.
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Input Data File
PROJ=H2SO4 ALKY, PROB= ALKY9F, USER=SIMSCI, CASEID=BASECASE
$
$ 12,000 BPSD H2SO4 ALKYLATION PLANT.
$
PRINT RATE=M,STREAM=PART,INPUT=NONE
CALC TRIALS=50,RECYCLE=TEAR
DIME LIQV=BBL,XDENS=SPGR
SEQU FX,HT3 ,P1,FB2,DEC3, FB2X &
PC1,S1,V1, H2,C1, &
OLSP,RX1A,F1X,RX1B,F1Y,RX1C,F1Z,RX1D, &
F1ZZ,SETL,VAPR,C2,MCOM, P2, FB4X, &
DIC4,CON1,FT1,DEC4,FB4,CL4, &
P3,DEC2,FB1,CL1, &
SCTN,CMP1,CMP2,AFTR
COMP DATA
LIBID 1,C1 /2,C2 /3,C3 /4,IC4 /5,NC4 / &
6,PROPENE/7,ISOBUTENE/8,T2BUTENE,,2BUTENE /9, 1BUTENE / &
10,IC5 /11,23DMB /12,24MP /13,23MP / &
14,224MPN /15,24HX /16,23HX /17,234MP /18,225MHX
LIBID 24,H2SO4,BANK=SIMSCI
TC(K) 24,924
PC(BAR) 24,64
PETRO 19,C9s, 128.26, 0.73, 280 / &
20,C10s, 142.28, 0.74, 325 / &
21,C11s, 156.31, 0.75, 365 / &
22,C12s, 170.34, 0.76, 395 / &
23,C13s, 184.36, 0.77, 425
THERMODYNAMIC DATA
METHOD SYSTEM=SRK,SET=SRK
ENTHALPY ALPHA=SIMSCI
SA06 24,1.81341,1.25196,0.566576
STREAM DATA
$ SATURATE FEED
PROP STREAM=1,TEMP=100,PRES=400, &
COMP(LV)=1,2 / 2,10 / 3,100 / 4,187.5 / 5,100.
$ OLEFIN FEED
PROP STREAM=2,TEMP=100,PRES=215, &
COMP(LV)=3,9 / 4,95 / 5,50 / 6,9 / 7,14/ 8,175 /9,56 / 10,5
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$ MAKE-UP
PROP STREAM=3,TEMP=100,PRES=400,RATE(LV)=45, &
COMP(LV)=4,80 / 5,20
$ MAKEUP N-BUTANE FOR CASE STUDY ANALYSIS
PROP STREAM=1NB,TEMP=100,PRES=400,COMP(LV)=5,1,RATE=0.00001
$ ACID FEED
PROP STREAM=SA1, TEMP=45, PRES=40, COMP(WT,LB/HR)=24,1000000
$ DEIC4 FEED
$ PROP STREAM=253,TEMP=110,PRES=120,REFSTREAM=25
$ DEC2 FEED
PROP STREAM=11B,TEMP=140,REFSTREAM=11A
$ RECYCLE STREAM DATA ESTIMATES
PROP STREAM=27,NAME=RCY_SAT,PHASE=L,PRES=73, &
COMP=3,80 / 4,500 / 5,60
PROP STREAM=26,NAME=SRG_DRUM,PHASE=L,PRES=73, &
COMP=3,560 / 4,3500 / 5,420
PROP STREAM=30R,NAME=RCY_IC4,TEMP=62,PRES=200, &
COMP=3,510 / 4, 6500 / 5,1600 / 10,30 / 11,7 / 13,4 / 14,20 / &
17,10 / 18, 1
NAME 1,SATURATED FEED/2,OLEFIN FEED/3,MAKEUP IC4/ &
10,DEC3 FEED/11,PROPANE TO DEC2/12,DEC4 BOTTOMS/ &
20, OLEFIN TO RXN/21,IC4 TO RXN/24, RXN VAPORS/&
25, RXN LIQUIDS/26, COMP SURGE DRUM LIQ/27, RCY TO DEC3/&
30, DEIC4 OVHD/ 30R, IC4 RCY/32, BUTANE/332,ALKYLATE/&
40, FUEL GAS/41B, HD5 PROPANE
OUTPUT FORMAT=VOLSUM, STREAMS=1,2,3,DESCRIPTION=FEED STREAMS
OUTPUT FORMAT=VOLSUM, STREAMS=40,41B,32,332,DESCRIPTION=PRODUCT
STREAMS
FORMAT ID=VOLSUM,NAME,LRATE(LV,1,2,BBL/DAY)=C2+,&
LRATE(LV,3,BBL/DAY)=PROPANE,&
LRATE(LV,4,BBL/DAY)=I-BUTANE,&
LRATE(LV,5,BBL/DAY)=N-BUTANE,&
LRATE(LV,6,BBL/DAY)=PROPENE,&
LRATE(LV,7,9,BBL/DAY)=BUTENES,&
LRATE(LV,10,BBL/DAY)=PENTANE,&
LRATE(LV,11,23,BBL/DAY)=C6+,&
RATE(LV,BBL/DAY),TEMP,PRES
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UNIT OPERATION
FLASH UID=FX,NAME=OLEFIN FD
$ THIS SIMULATES THE OLEFIN FEED FROM THE BOTTOM OF THE
$ OLEFIN DEPROPANIZER (WHICH WILL BE ADDED AT A LATER DATE
FEED 2
PROD L=2A
BUBB TEMP=200
FLASH UID=HT3, NAME=PRECHILLER
$ PRECOOLS OLEFIN FEED TO 100 F
FEED 2A
PROD L=2B
ISO TEMP=100,DP=5
PUMP UID=P1
FEED 27
PROD L=27P
OPER PRES=400
HX UID=FB2
COLD FEED=1,1NB,27P,L=10
OPERATION CTEMP=170
COLUMN UID=DEC3, NAME=SAT DEC3
FEED 10,20
CONDENSER TYPE=BUBB,PRES=310
PARA TRAY=40
SPEC RRATIO,VALUE=9.0
SPEC STREAM=12,COMP=3,RATE,VALUE=50.0
DUTY 1,1/2,40
VARY DUTY=1,2
PRINT PROP=BRIEF
HX UID=FB2X
OPERATION
DEFINE DUTY AS HX=FB2, DUTY
HX UID=PC1, NAME=ECON PRECOOL
OPERATION HTEMP=100
SPLITTER UID=S1
FEED 26
PROD L=27,L=28
SPEC STREAM=27,RATE(LV),VALUE=75
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VALVE UID=V1
FEED 28
PROD M=28V
OPERATION DP=30
HX UID=H2, NAME=ECONOMIZER
HOT FEED=2B,L=20,DP=3
COLD FEED=122,3,28V,DP=1,L=21,V=29
OPERATION HTEMP=65
CONTROLLER UID=C1
SPEC STREAM=21,TEMP,VALUE=55,ATOL=0.002
VARY VALVE=V1,DP,MAXI=70
SPLITTER UID=OLSP,NAME=OLEFIN_SPLITTER
FEED 20
PROD V=20A, V=20B, V=20C, V=20D
SPEC STREAM=20A,RATE,RATIO, REFF, VALUE=0.25
SPEC STREAM=20B,RATE,RATIO, REFF, VALUE=0.25
SPEC STREAM=20C,RATE,RATIO, REFF, VALUE=0.25
REACTOR UID=RX1A, NAME=1ST_STAGE
FEED 20A,21,30R,SA1
PROD M=24X
OPERATION PRES=30,ADIABATIC
RXCALC CONV $,REFPHASE=L,REFTEMP=45
$ PROPENE - ISOBUTENE REACTION
STOIC 4, -12.3461/ 6, -12.3008/ &
10, 0.5541/ 11, 0.5553/ 12, 2.3756/ 13, 5.9539/ 14, 0.4574/ &
15, 0.0731/ 16, 0.1062/ 17, 0.3969/ 18, 0.0821/ 19, 0.0594/ &
20, 0.6688/ 21, 0.4325/ 22, 0.0468/ 23, 0.0315
BASE COMP=6
CONVERSION 1.0
$ ISOBUTENE - ISOBUTANE REACTION
STOIC 4, -8.5683/ 7, -10.5445/ &
10, 1.2706/ 11, 0.5925/ 12, 0.3827/ 13, 0.2638/ 14, 2.5703/ &
15, 0.3627/ 16, 0.5101/ 17, 2.1523/ 18, 0.3998/ 19, 0.2074/ &
20, 0.2754/ 21, 0.2134/ 22, 0.5173/ 23, 0.0239
BASE COMP=7
CONVERSION 1.0
$ 2-BUTENE - ISOBUTANE REACTION
STOIC 4,-10.9924/ 8, -11.3233/ &
10, 0.6347/ 11, 0.6261/ 12, 0.2832/ 13, 0.1703/ 14, 3.3018/ &
15, 0.4360/ 16, 0.5566/ 17, 4.6514/ 18, 0.1852/ 19, 0.0782/ &
20, 0.0891/ 21, 0.0799/ 22, 0.2831
BASE COMP=8
CONVERSION 1.0
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STOIC 4,-11.5763/ 9, -9.9587/ &
10, 0.6877/ 11, 0.5870/ 12, 0.3016/ 13, 0.1730/ 14, 3.1778/ &
15, 0.5271/ 16, 0.6466/ 17, 4.2314/ 18, 0.1686/ 19, 0.0984/ &
20, 0.0720/ 21, 0.0761/ 22, 0.2674/ 23, 0.0079
BASE COMP=9
CONVERSION 1.0
STCALC UID=F1X,NAME=3_PHASE
$ SEPARATOR/FLASH FOR 1ST STAGE REACTOR
FEED 24X
OVHD V=24A,L=25A
BTMS STREAM=25AX
FOVHD 1,23,1.0/24,0.0
REACTOR UID=RX1B, NAME=2ND_STAGE
FEED 20B,25A,25AX
PROD M=24Y
STOIC 4, -12.3461/ 6, -12.3008/ &
10, 0.5541/ 11, 0.5553/ 12, 2.3756/ 13, 5.9539/ 14, 0.4574/ &
15, 0.0731/ 16, 0.1062/ 17, 0.3969/ 18, 0.0821/ 19, 0.0594/ &
20, 0.6688/ 21, 0.4325/ 22, 0.0468/ 23, 0.0315
BASE COMP=6
CONVERSION 1.0
STOIC 4, -8.5683/ 7, -10.5445/ &
10, 1.2706/ 11, 0.5925/ 12, 0.3827/ 13, 0.2638/ 14, 2.5703/ &
15, 0.3627/ 16, 0.5101/ 17, 2.1523/ 18, 0.3998/ 19, 0.2074/ &
20, 0.2754/ 21, 0.2134/ 22, 0.5173/ 23, 0.0239
BASE COMP=7
CONVERSION 1.0
STOIC 4,-10.9924/ 8, -11.3233/ &
10, 0.6347/ 11, 0.6261/ 12, 0.2832/ 13, 0.1703/ 14, 3.3018/ &
15, 0.4360/ 16, 0.5566/ 17, 4.6514/ 18, 0.1852/ 19, 0.0782/ &
20, 0.0891/ 21, 0.0799/ 22, 0.2831
BASE COMP=8
CONVERSION 1.0
STOIC 4,-11.5763/ 9, -9.9587/ &
10, 0.6877/ 11, 0.5870/ 12, 0.3016/ 13, 0.1730/ 14, 3.1778/ &
15, 0.5271/ 16, 0.6466/ 17, 4.2314/ 18, 0.1686/ 19, 0.0984/ &
20, 0.0720/ 21, 0.0761/ 22, 0.2674/ 23, 0.0079
BASE COMP=9
CONVERSION 1.0
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STCALC UID=F1Y,NAME=3_PHASE
$ SEPARATOR/FLASH FOR 2ND STAGE REACTOR
FEED 24Y
OVHD V=24B,L=25B
BTMS STREAM=25BX
FOVHD 1,23,1.0/24,0.0
REACTOR UID=RX1C, NAME=3RD_STAGE
FEED 20C,25B,25BX
PROD M=24Z
STOIC 4, -12.3461/ 6, -12.3008/ &
10, 0.5541/ 11, 0.5553/ 12, 2.3756/ 13, 5.9539/ 14, 0.4574/ &
15, 0.0731/ 16, 0.1062/ 17, 0.3969/ 18, 0.0821/ 19, 0.0594/ &
20, 0.6688/ 21, 0.4325/ 22, 0.0468/ 23, 0.0315
BASE COMP=6
CONVERSION 1.0
STOIC 4, -8.5683/ 7, -10.5445/ &
10, 1.2706/ 11, 0.5925/ 12, 0.3827/ 13, 0.2638/ 14, 2.5703/ &
15, 0.3627/ 16, 0.5101/ 17, 2.1523/ 18, 0.3998/ 19, 0.2074/ &
20, 0.2754/ 21, 0.2134/ 22, 0.5173/ 23, 0.0239
BASE COMP=7
CONVERSION 1.0
STOIC 4,-10.9924/ 8, -11.3233/ &
10, 0.6347/ 11, 0.6261/ 12, 0.2832/ 13, 0.1703/ 14, 3.3018/ &
15, 0.4360/ 16, 0.5566/ 17, 4.6514/ 18, 0.1852/ 19, 0.0782/ &
20, 0.0891/ 21, 0.0799/ 22, 0.2831
BASE COMP=8
CONVERSION 1.0
STOIC 4,-11.5763/ 9, -9.9587/ &
10, 0.6877/ 11, 0.5870/ 12, 0.3016/ 13, 0.1730/ 14, 3.1778/ &
15, 0.5271/ 16, 0.6466/ 17, 4.2314/ 18, 0.1686/ 19, 0.0984/ &
20, 0.0720/ 21, 0.0761/ 22, 0.2674/ 23, 0.0079
BASE COMP=9
CONVERSION 1.0
STCALC UID=F1Z,NAME=3_PHASE
$ SEPARATOR/FLASH FOR 3RD STAGE REACTOR
FEED 24Z
OVHD V=24C,L=25C
BTMS STREAM=25CX
FOVHD 1,23,1.0/24,0.0
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REACTOR UID=RX1D, NAME=4TH_STAGE
FEED 20D,25C,25CX
PROD M=24ZZ
STOIC 4, -12.3461/ 6, -12.3008/ &
10, 0.5541/ 11, 0.5553/ 12, 2.3756/ 13, 5.9539/ 14, 0.4574/ &
15, 0.0731/ 16, 0.1062/ 17, 0.3969/ 18, 0.0821/ 19, 0.0594/ &
20, 0.6688/ 21, 0.4325/ 22, 0.0468/ 23, 0.0315
BASE COMP=6
CONVERSION 1.0
STOIC 4, -8.5683/ 7, -10.5445/ &
10, 1.2706/ 11, 0.5925/ 12, 0.3827/ 13, 0.2638/ 14, 2.5703/ &
15, 0.3627/ 16, 0.5101/ 17, 2.1523/ 18, 0.3998/ 19, 0.2074/ &
20, 0.2754/ 21, 0.2134/ 22, 0.5173/ 23, 0.0239
BASE COMP=7
CONVERSION 1.0
STOIC 4,-10.9924/ 8, -11.3233/ &
10, 0.6347/ 11, 0.6261/ 12, 0.2832/ 13, 0.1703/ 14, 3.3018/ &
15, 0.4360/ 16, 0.5566/ 17, 4.6514/ 18, 0.1852/ 19, 0.0782/ &
20, 0.0891/ 21, 0.0799/ 22, 0.2831
BASE COMP=8
CONVERSION 1.0
STOIC 4,-11.5763/ 9, -9.9587/ &
10, 0.6877/ 11, 0.5870/ 12, 0.3016/ 13, 0.1730/ 14, 3.1778/ &
15, 0.5271/ 16, 0.6466/ 17, 4.2314/ 18, 0.1686/ 19, 0.0984/ &
20, 0.0720/ 21, 0.0761/ 22, 0.2674/ 23, 0.0079
BASE COMP=9
CONVERSION 1.0
STCALC UID=F1ZZ,NAME=3_PHASE
$ SEPARATOR/FLASH FOR 4TH STAGE REACTOR
FEED 24ZZ
OVHD V=24D,L=25D
BTMS L=25DX
FOVHD 1,23,1.0/24,0.0
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STCALC UID=SETL,NAME=ACID_SETTLER
$ SEPARATOR/FLASH FOR SETTLING SECTION
FEED 25D/25DX
OVHD V=24E,L=25,PRES=26
BTMS STREAM=SA2,PRES=26
FOVHD 1,23,1.0/24,0.0
MIXER UID=VAPR, NAME=RXN_VAPORS
FEED 24A,24B,24C,24D,24E
PROD V=24
CONTROLLER UID=C2
SPEC STREAM=24,TEMP,VALUE=45,ATOL=0.02
VARY SPLITTER=S1,SPEC,MINI=1,MAXI=1000
$--------------------------------------------------------------------------------------------------------
$ REFRIGERATION CIRCUIT
FLASH UID=MCOM $ SIMULATED IN DETAIL OUTSIDE THE
FEED 24,29 $ RECYCLE LOOPS WITH CMP1, CMP2 AND AFTR
BUBB TEMP=100 $ PRES=73
PROD L=26
$--------------------------------------------------------------------------------------------------------
PUMP UID=P2,NAME=EFFL_PUMP
FEED 25
PROD L=251
OPERATION PRES=120
HX UID=FB4X,NAME=EFFL_ALKY
COLD FEED=251,L=253X,DP=5
OPER CTEMP=110
COLUMN UID=DIC4,NAME=DEISOBUTANIZER
PARA SURE=20 TRAYS=42 $ , DAMP=0.9
FEED 253X,1
DUTY 1,42
SPEC STREAM=30,RATE(LV),VALUE=2500 $ THIS SETS THE IC4 RECYCLE
SPEC(CHANGE) TRAY=1,TEMPERATURE,VALUE=126.5
VARY DUTY=1
PRESSURE 1,90/42,95
PRINT PROP=BRIEF
HX UID=CON1,NAME=DIC4_COND
UTIL WATER TIN=70,TEMP=80
OPER HLFRAC=1.0
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HX UID=FT1,NAME=EFFL_RECL
HOT FEED=301,L=30R,DP=5
OPER HTEMP=62
COLUMN UID=DEC4,NAME=DEBUTANIZER
PARA TRAYS=30
FEED 31,15
COND TYPE=TFIX,TEMP=100,PRES=80
DUTY 1,1/2,30
SPEC STREAM=33,RVP,VALUE=12.0
SPEC RRATIO, VALUE=1.0
VARY DUTY=1,2
PRESSURE 2,85/30,90
PRINT PROP=BRIEF
HX UID=FB4,NAME=EFFL_ALKY
OPER CTEMP=110
HX UID=CL4,NAME=ALKY_CLR
UTIL WATER TIN=70,TEMP=80
OPER HTEMP=100
PUMP UID=P3
FEED 11
PROD L=11A
OPERATION PRES=600
COLUMN UID=DEC2, NAME=DEETHANIZER
FEED 11B,5
CONDENSER TYPE=PART,PRES=420
PARA TRAY=20
SPEC TRAY=1,TEMP,VALUE=100.0
SPEC STREAM=41,TVP(PSIG),VALUE=203 $ HD5 SPEC IS 208 MAX
DUTY 1,1/2,20
VARY DUTY=1,2
PRINT PROP=BRIEF
HX UID=FB1
COLD FEED=11A,L=11B,DP=5
HOT FEED=41,L=41A,DP=5
OPERATION HOCO=5
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HX UID=CL1
HOT FEED=41A,L=41B,DP=5
UTIL WATER TIN=70,TOUT=80
OPERATION HTEMP=100
$ THE COMPRESSOR REQUIREMENTS CAN BE CALCULATED AFTER
$ THE RECYCLE LOOPS ARE SOLVED
VALVE UID=SCTN, NAME=SUCTION
FEED 24
PROD V=240
OPERATION PRES=23
COMPRESSOR UID=CMP1, NAME=1ST STAGE
FEED 240
PROD V=241
OPERATION EFF=80
DEFINE PRESSURE AS STREAM=29 PRESSURE MINUS 1
COMPRESSOR UID=CMP2, NAME=2ND STAGE
FEED 241,29
PROD V=260
DEFINE PRESSURE AS STREAM=26,PRESSURE,PLUS 5.0
FLASH UID=AFTR, NAME=AFT_COOL
FEED 260
PROD L=261
BUBB DP=5
RECYCLE
LOOP NO=1, START=P1, END=FT1
LOOP NO=2,START=DEC2,END=FB1
END
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Results The flowsheet converges in 19 recycle iterations. The plant produces 1.75 barrels
of alkylate per barrel of olefin feed. This is calculated by summing the C5+ content
of the alkylate stream (stream 332), subtracting the C5 content already present in the
olefin feed (stream 2), and dividing the result by the olefin present in the olefin feed.
The overall material balance is summarized by the feed stream and product stream
user-defined reports.
Output Excerpts from the output report are given here. Note that the temperature reported
in each reactor stage is not correct because the REACTOR module does not support
three phase equilibrium. The correct temperature is reported in the stream calculator
report where the acid phase is split off, and a true vapor-liquid equilibrium flash is
performed.
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Unit 10, H2, Economizer
LMTD, F 22.306
F FACTOR (FT) 1.000
MTD, F 22.306
U*A, BTU/HR-F 76648.490
*** WARNING - COLD SIDE TEMPERATURE CHANGES IN WRONG DIRECTION
------------------------ ------------------------
FEED 2B
LIQUID PRODUCT 20
LIQUID, LB-MOL/HR 1517.604 1517.604
M LB/HR 85.413 85.413
CP, BTU/LB-F 0.588 0.557
TOTAL, LB-MOL/HR 1517.604 1517.604
M LB/HR 85.413 85.413
------------------------ ------------------------
FEEDS 122
3
28V
LIQUID PRODUCT 21
VAPOR PRODUCT 29
VAPOR, LB-MOL/HR 1246.998 1476.573
M LB/HR 68.269 80.978
CP, BTU/LB-F 0.401 0.400
LIQUID, LB-MOL/HR 5780.386 5550.811
M LB/HR 327.789 315.080
CP, BTU/LB-F 0.569 0.568
TOTAL, LB-MOL/HR 7027.383 7027.383
M LB/HR 396.058 396.058
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Unit 13, RX1A, 1ST_Stage
DUTY, MM BTU/HR -2.149E-04
INLET OUTLET
------------------------ ------------------------
FEED 20A
21
30R
SA1
LIQUID PRODUCT 24X
REACTION DATA
------------------------ RATES, LB-MOL/HR -------------------- FRACTION
-------------------------------------------- ---------------------------- ------------------------ ---------------------------- --------------------
----
1 C1 1.321E-13 0.0000 1.321E-13
2 C2 2.225E-05 0.0000 2.225E-05
3 C3 961.9394 0.0000 961.9393
4 IC4 1.060E+04 -243.2227 1.036E+04 0.0229
5 NC4 2615.9390 0.0000 2615.9390
6 PROPENE 9.7732 -9.7732 0.0000 1.0000
7 ISOBUTENE 13.1145 -13.1145 0.0000 1.0000
8 2BUTENE 166.5524 -166.5524 0.0000 1.0000
9 1BUTENE 52.5366 -52.5366 0.0000 1.0000
10 IC5 48.4320 14.9841 63.4161
11 23DMB 9.8713 13.4840 23.3553
12 24MP 2.6567 8.1200 10.7768
13 23MP 2.0549 8.4761 10.5310
14 224MPN 12.0716 68.8901 80.9617
15 24HX 1.1599 9.7029 10.8628
16 23HX 1.1939 12.3168 13.5108
17 234MP 10.1747 93.7314 103.9061
18 225MHX 0.3009 4.1760 4.4768
19 C9s 0.0812 1.9745 2.0557
20 C10s 0.0401 2.5643 2.6044
21 C11s 0.0140 2.1857 2.1998
22 C12s 0.0202 6.2553 6.2755
23 C13s 1.538E-04 0.0964 0.0966
24 H2SO4 1.020E+04 0.0000 1.020E+04
TOTAL 2.470E+04 -238.2402 2.447E+04
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Unit 14, F1X, 3_Phase
NET DUTY, MM BTU/HR -8.98686E-06
24X 1.000
ENTHALPY, MM BTU/HR -7.07417
PRODUCT
VAPOR 24A
LIQUID 25A 25AX
ENTHALPY, MM BTU/HR 21.47468 -28.54880 N/A
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Unit 21, SETL, Acid_Settler
NET DUTY, MM BTU/HR 2.45918E-04
25D 1.000
25DX 1.000
ENTHALPY, MM BTU/HR -28.34973
PRODUCT
VAPOR 24E
LIQUID 25 SA2
ENTHALPY, MM BTU/HR 4.23204 -28.93943 N/A
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Unit 38, CMP1, 1ST Stage
FEEDS 240
PRODUCTS VAPOR 241
------------------------ ---------------------------- ----------------------------
TEMPERATURE, F 44.22 70.03 75.39
PRESSURE, PSIA 23.00 38.29 38.29
CP, BTU/LB-MOL-F 21.9209 23.2251
CV, BTU/LB-MOL-F 19.5605 20.6791
CP/(CP-R) 1.0996 1.0935
CP/CV 1.1207 1.1231
MOLE PERCENT MW SOLID 0.0000 0.0000 0.0000
WEIGHT PERCENT TOTAL SOLID 0.0000 0.0000 0.0000
HEAD, FT
ADIABATIC 6827.30
POLYTROPIC 6876.76
ACTUAL 8534.13
WORK, HP
THEORETICAL 865.44
POLYTROPIC 871.71
ACTUAL 1081.80
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Unit 39, CMP2, 2ND Stage
FEEDS 241, 29
PRODUCTS VAPOR 260
------------------------ ------------------------ ----------------------------
TEMPERATURE, F 70.40 118.90 118.90
PRESSURE, PSIA 38.29 92.46 92.46
CP, BTU/LB-MOL-F 22.9180 25.4695
CV, BTU/LB-MOL-F 20.3658 22.1166
CP/(CP-R) 1.0949 1.0846
CP/CV 1.1253 1.1516
MOLE PERCENT MW SOLID 0.0000 0.0000 0.0000
WEIGHT PERCENT TOTAL SOLID 0.0000 0.0000 0.0000
HEAD, FT
ADIABATIC 12192.71
POLYTROPIC 12192.60
ACTUAL 12192.71
WORK, HP
THEORETICAL 2044.39
POLYTROPIC 2044.37
ACTUAL 2044.39
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Unit 5, DEC3, SAT DEC3
COLUMN SUMMARY
---------------- ---------------- -------------------- -------------------- -------------------- -------------------- -------------------- ----------------
----------------
1 107.1 310.00 4538.2 504.2L -27.9846
2 131.3 315.00 5003.1 5042.4
....
19 172.8 319.47 4688.5 5251.6
20 180.6 319.74 7164.1 5192.7 2044.2L
21 182.2 320.00 7198.5 5624.1
....
39 224.2 324.74 7682.4 6119.0
40 226.2 325.00 6142.5 1539.9L 31.0011
---------------- ---------------- ---------------- ------------ ------------ -------------------- -------------------------------- --------------------
--------
FEED 10 LIQUID 20 1.0000 2044.19 9.4297
PRODUCT 11 LIQUID 1 504.24 1.0438
PRODUCT 12 LIQUID 40 1539.95 11.3886
OVERALL HEAT BALANCE, (H(IN) - H(OUT) ) 0.0137
SPECIFICATIONS
------------------------ ------------ ------------ -------------------------------- ------------------------ ------------------------
UNIT DEC3 1 RRATIO 9.000E+00 9.000E+00
STRM 12 40 3 MOL RATE 5.000E+01 5.012E+01
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Unit 27, DIC4, Deisobutaniz
COLUMN SUMMARY
------------------------ NET FLOW RATES ---------------------- HEATER
---------------- ---------------- -------------------- -------------------- -------------------- -------------------- -------------------- ----------------
--------
1 124.8 90.00 10908.9 10238.2L 8578.0V
2 126.0 90.12 10934.1 9248.7
....
41 157.8 94.88 8937.2 8820.1
42 214.3 95.00 7277.0 1660.2L 80.0582
---------------- ------------ -------------------- ------------ ------------ -------------------- ---------------------------- ------------------------
--------
FEED 253X LIQUID 1 1.0000 10238.24 27.1495
PRODUCT 30 VAPOR 1 8578.01 92.4052
PRODUCT 31 LIQUID 42 1660.24 14.8553
SPECIFICATIONS
-------------------- ------------ ------------ ------------------------------------ ------------------------ ------------------------
STRM 30 1 VOL RATE 2.500E+03 2.500E+03
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Feed Streams
STREAM ID 1 2 3
NAME SATURATED OLEFIN FEED MAKEUP IC4
FEED
STD. LIQ. VOL. RATES,
BBL/DAY
1 C2+ 287.9995 0.0000 0.0000
2 PROPANE 2399.9960 215.9996 0.0000
3 I-BUTANE 4499.9920 2279.9960 863.9985
4 N-BUTANE 2399.9960 1199.9980 215.9996
5 PROPENE 0.0000 215.9996 0.0000
6 BUTENES 0.0000 5879.9890 0.0000
7 PENTANE 0.0000 119.9998 0.0000
8 C6+ 0.0000 0.0000 0.0000
RATE, BBL/DAY 9587.9820 9911.9820 1079.9980
TEMPERATURE, F 100.00 100.00 100.00
PRESSURE, PSIA 400.000 215.000 400.000
Product Streams
STREAM ID 40 41B 32 332
NAME FUEL GAS HD5 PROPANE BUTANE ALKYLATE
STD. LIQ. VOL. RATES,
BBL/DAY
1 C2+ 111.5076 176.4919 0.0000 0.0000
2 PROPANE 126.9336 2549.4150 4.0536E-12 1.1636E-13
3 I-BUTANE 3.1551E-03 0.5207 442.8231 127.2228
4 N-BUTANE 1.1741E-05 4.6006E-03 2266.6260 1666.1680
5 PROPENE 0.0000 0.0000 0.0000 0.0000
6 BUTENES 0.0000 0.0000 0.0000 0.0000
7 PENTANE 4.1997E-14 2.2554E-10 34.4840 561.6192
8 C6+ 1.8685E-13 1.9002E-12 9.3373E-04 10215.5900
RATE, BBL/DAY 238.4444 2726.4320 2743.9340 12570.6000
TEMPERATURE, F 100.00 100.00 100.00 100.00
PRESSURE, PSIA 420.000 425.000 80.000 80.000
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AMMONIA SYNTHESIS
Ammonia is produced from a mixture of hydrogen and nitrogen by passing it through
a bed of Fe-Al2O3-K2O catalyst at high temperature and pressure. Pressures of
over 300 atmospheres are typically used in order to achieve acceptable conver-
sions. Even at high pressure, the conversion of hydrogen is less than 30% per pass.
A large recycle is therefore required in order to return unreacted feed to the
convertor.
The feedstock for the synthesis loop is a 3:1 mixture of hydrogen and nitrogen from
a natural gas reformer. Air is used to provide the nitrogen and so some argon is
present in the feed. A small amount of methane is also present. These inert gases
build up in the synthesis loop and must be purged at an optimal level.
You must model the synthesis loop in order to investigate the effect the concentration
of inert gases in the loop has on the ammonia production.
Process
Data
The flowsheet for the synthesis loop is shown in Figure A6.1.
The main ammonia product is more than 99.5% pure. The feed to the synthesis
comes from reformed natural gas and is equivalent to a natural gas consumption of
6 million SCFD. The composition and thermal condition of the feed to the loop are
shown in Table A6.1.
Figure A6-1:
Ammonia Synthesis Loop
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PRO/II APPLICATION BRIEFS AMMONIA SYNTHESIS A6-1
August 1995
Table A6.1: Feed Stream Information
Component lb mole/hr
Hydrogen 2424.30
Nitrogen 807.50
Argon 9.58
Methane 15.16
Temperature (F) 95.0
Pressure (psig) 4955.0
The compressed synthesis gas is mixed with the recycle stream and introduced into
the synthesis loop after the recycle compressor. The compressor operates with an
outlet pressure of 4950 psig. The gas mixture is chilled to 40 F and liquid ammonia
is removed from the secondary separator. The vapor is heated and passed to the
ammonia converter. The feed is preheated inside the convertor before entering the
catalyst bed.
The ammonia synthesis reaction is:
N2 + 3H2
2NH3
The reference condition for heat of reaction data is vapor at 800 F and the heat of
reaction is -45.18 x 10
3
energy units per mole of nitrogen converted. The equilibrium
constant is a function of temperature according to the Arrhenius equation:
Ln(Keq) = A + B/T
Where: A = -32.975
B = 22930.4
The reactor product is cooled to 85 F and the liquid ammonia product is removed
in the primary separator.
A purge is removed after the primary separator to prevent build up of inerts in the
loop. The molar concentration of inerts (argon and methane) in the convertor feed
is maintained at 12%. You wish to see the effect of increasing this to 16%.
Methods
and Data
The thermodynamic properties of the components in this simulation are suitably
modeled by the Modified Soave-Redlich-Kwong (SRKM) equation of state combined
with Rackett liquid densities (Note 2). SRKM contains the necessary interaction
parameters to predict the correct separation in the separators and generally yields
good results for ammonia plants. The Rackett method is used in preference to the
default API liquid density method because it provides better predictions for non-hy-
drocarbons such as N2 and H2.
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A6-2 AMMONIA SYNTHESIS PRO/II APPLICATION BRIEFS
August 1995
Simulation
Model
The simulation flowsheet for the ammonia synthesis process is shown in Figure
A6.2. Note that the process-utility heat exchangers immediately preceding the
separators are combined with the separators. The heat exchanger/separator com-
binations (D-6) and (D-7) are modeled as isothermal flash units with fixed outlet
temperature and pressure.
The ammonia converter can be simulated in one of three ways.
1. It can be simulated as a conversion reactor (CONREACTOR) if the reaction
conversion is known.
2. It can be simulated as a plug flow reactor (PLUG) if the kinetic data based on
the catalyst being used in the process are available.
3. It can be simulated as an equilibrium reactor (EQUREACTOR) if the reaction
is at equilibrium or if the temperature or fractional approach to the equilibrium
point is known.
For this simulation, the third option is chosen, i.e., the ammonia converter is
simulated as an equilibrium reactor (RX-7) with a temperature approach of 20C.
The ammonia product is collected from the primary and secondary separators. A
purge stream is used to prevent inerts (argon and methane) from building up in the
system.
Figure A6-2:
Simulation Flowsheet for
Ammonia Synthesis Loop
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The simulation flowsheet contains a total of three recycle loops. The main loop runs
from the compressor (CP-4) to the splitter (SP1) and has one tear stream (40). Data
is supplied to provide an initial estimate for stream 40. The other two loops are inner
thermal recycle loops. The first one involve the feed preheater (FDEF) and the
converter (RX7) and the second one X-4 and the secondary separator (D-7). The
feed stream (28) only constitutes about 25% of the stream leaving the feed mixer
(MX1). Thus the recycle rate is quite large and, to obtain sufficient accuracy in the
product streams, the recycle tolerances must be tightened. Note that the tolerances
for the inner thermal loops must be tighter than the tolerances for the outer loop.
Finally, Wegstein acceleration is applied to increase the speed of the convergence.
Two cases are then run. For the first, the feed to the reactor must contain 12 mole
percent of inerts; for the second 16 mole percent. These concentrations are
achieved using a controller to manipulate the rate of the purge stream. To avoid
interference between the controller and the recycle loops, the controller is placed
outside these and the recycle loops are fully converged at each controller iteration.
To summarize, the simulation flowsheet has four loops:
1. An inner thermal recycle loop involving units D-7 and X-4 (Loop 1 in Figure
A6-2 above).
2. An inner thermal recycle loop involving units FDEF and RX7 (Loop 2 in Figure
A6-2 above).
3. An outer mass recycle loop involving units CP-4 through SP1 (Loop 3 in
Figure A6-2 above).
4. A control loop to meet the reactor feed inert concentration specification.
Each time an outer (recycle or controller) loop is updated, all inner loops must be
fully converged. Further, inner loops must be solved to a tighter tolerance than outer
loops. It is clear that the solution to this simulation with its three layers of nested
loops will be quite inefficient. Below, two alternate solution strategies are discussed
which yield significant improvements in solution speed.
Solution Strategy I:
Using Reference Streams to Eliminate Inner Thermal Recycle Loops
Let us first consider the thermal recycle loop involving X-4 and D-7. Typically, we
would solve the mixer MX1 followed by heat exchanger X-4 (hopefully we would have
an initial estimate for tear stream 32) and then separator D-7. X-4 and D-7 would be
solved repeatedly until convergence. However, it is clear that the flowrate and compo-
sition of stream 30 is the same as for stream 29. Further, whether we know the
temperature and pressure of stream 30 does not affect the product streams of D-7 since
this isothermal flash unit has a fixed outlet temperature and pressure. We can
therefore define stream 30 as being REFERENCED to stream 29 and provide an
initial estimate for its temperature and pressure. The result of this is that the flowrate
and composition of stream 30 will be automatically updated whenever the conditions
of stream 29 change. We can therefore solve D-7 before X-4 and these two units
can be incorporated into the outer loop from CP-4 to SP1. The temperature and
pressure of stream 30 converge simultaneously with the mass recycle loop.
The above arguments can also be applied to the thermal recycle loop involving the
feed preheater (FDEF) and the converter (RX-7). Here, stream 34 is referenced to
stream 33 and initial estimates for its temperature and pressure are provided.
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Using the reference streams, the thermal recycle loops are effectively merged with
the mass recycle loop. Thus the problem is reduced to two loops; one large recycle
loop which is converged at every trial of the controller, and the controller loop.
The input file for solution strategy I is given below:
TITLE PROJ=APPBRIEFS,PROB=A6A,USER=SIMSCI,DATE=AUG 1995

PRINT INPUT=NONE, STREAM=PART, RATE=M, MBAL
DIMEN ENGLISH, PRES=PSIG
TOLE STREAM=1.E-4,1.E-4,1.E-4,1.E-4 $NOTE 1
SEQUE CP-4, MIX1, D-7, X-4, RX-7, FDEF, D-6, SP1, CTL1, D-8
CALC TRIAL=200
COMPONENT DATA
LIBID 1,H2 / 2,N2 / 3,A / 4,C1 / 5,NH3

THERMO DATA
METHOD SYSTEM=SRKM, DENS(L)=RACKETT $NOTE 2

STREAM DATA
OUTPUT FORMAT=1, NSTREAM=4 $ NOTE 3
FORMAT IDNO=1, NAME, PHASE, CRATE, LINE, RATE(M), MW, RATE(W), &
LINE, TEMP, PRES, ENTH, LINE, VAPOR, RATE (G,FT3/D), &
DENS (LB/FT3), LINE, LIQUID, ARATE(V,GAL/M), DENS(LB/GAL)
PROP STRM=28, TEMP=95, PRES=4955, *
COMP=1,2424.3/2,807.5/3,9.58/4,15.16
$ INITIAL GUESS FOR RECYCLE STREAM
COMP=1,6000/2,2000/3,500/4,1000/5,1000
$ REFERENCE STREAM TO ELIMINATE THERMAL RECYCLE AROUND FDEF
PROP STRM=34, REFS=33, TEMP=575, PRESS=4780
$ REFERENCE STREAM TO ELIMINATE THERMAL RECYCLE AROUND X-4
PROP STRM=30, REFS=29, TEMP=54, PRES=4900
NAME 28, SYN GAS / 40, RECYCLE / 39, PURGE / *
38, PRI SEP / 32, SEC SEP / 34, RX FEED / *
42, LET DWN GAS / 43, NH3 PROD
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RXDATA
RXSET ID=1
REACTION ID=1
STOI 1,-3 / 2,-1 / 5,2 $ 3H2 + N2 =
2NH3
EQUI A=-32.975 B=22930.4
HORX REFCOMPONENT=2, HEAT=-45.108, REFTEMP=800
UNIT OPS DATA
COMP UID=CP-4, NAME=RECYCLE COMP
FEED 40
PROD V=41
OPER POUT=4950, EFF=95, WTOL=0.00001
MIXE UID=MIX1
FEED 28,41
PROD M=29
HX UID=X-4
COLD FEED=32, V=33, DP=50
HOT FEED=29, M=30, DP=50
OPER CTEM=85
FLASH UID=D-7, NAME=SEC SEP
FEED 30
PROD L=31, V=32
ISOT TEMP=40, PRES=4840
HX UID=FDEF, NAME=RX EFFL EXCH
HOT FEED=35, V=36, DP=30
OPER HTEM=430
$ SIMULATE THE REACTOR WITH AN EQUILIBRIUM MODEL
EQUREAC UID=RX-7, NAME=CONVERTER
FEED 34
PROD V=35
OPER PHASE=V, ADIA, DP=30, TEMP=900 $ TEMP ESTIMATE
RXCA
RXSTOIC RXSET=1
REACTION 1
BASE COMP=2
APPR DT=20
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FLASH UID=D-6, NAME=PRI SEP
FEED 36
PROD V=38, L=37
ISOTHERMAL TEMP=85, PRES=4660
SPLIT UID=SP1, NAME=PURGE
FEED 38
PROD V=39, V=40
SPEC STRE=39, RATE, VALU=70
CONT UID=CTL1
SPEC STRE=32,COMP=3,4,FRAC,VALU=0.12,ATOL=1.0E-3
VARY SPLIT=SP1,SPEC,PCT2=1
CPAR ITER=100, IPRINT
FLASH UID=D-8, NAME=LETDOWN
FEED 31, 37
PROD L=43, V=42
ADIA PRES=350
RECYCLE DATA
ACCELERATION TYPE=WEGSTEIN
END
Solution Strategy II:
Converging the Mass Recycle Loop and Controller
Loop Simultaneously
We can make two observations about the mass recycle loop in this simulation
flowsheet:
1. The number of components is quite small and
2. The recycle and controller loops contain the same units.
Given this situation, it is often preferable to solve the tear stream equations and the
controller specification simultaneously using a MULTIVARIABLE CONTROLLER.
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We begin by actually tearing stream 40 and defining a new stream 40R which enters
compressor CP-4. The initial estimate for the recycle stream used above is now
used as the initial estimate for stream 40R. The MVC will be used to vary the
conditions of stream 40R until the calculated conditions of stream 40 are the same
(within tolerance) as those of 40R. From the input data we can see that the
temperature and pressure of stream 40 are fixed by the flash specifications for
separator D-6. Therefore the temperature and pressure balance is automatically
satisfied and the MVC only needs to include the equations equating the component
flowrates of streams 40 and 40R.
The following calculator is included as the first unit in the calculation sequence:
CALC UID=CAL1
DEFINE P(1) AS STRE=40R, RATE, COMP=1
SEQU STRE=40R
PROCEDURE
$ Initial estimate for stream 40R
IF ( R(100).GT.0 ) GOTO 100
R(1) = P(1) $ H2
R(2) = P(2) $ N2
R(3) = P(3) $ A
R(4) = P(4) $ C1
R(5) = P(5) $ NH3
R(100) = 1
Figure A6-3:
Simultaneous Convergence Strategy
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GOTO 200
100 CONTINUE
$ Store stream 40R
CALL SRVSTR(SCMR,R(1),40R,1,5)
200 CONTINUE
RETURN
The first time through, the values of the results variables R(1) to R(5) are set to the
flowrates provided as an initial estimate for stream 40R. Subsequently, the values
of the individual Rs are modified by the MVC and the new values are loaded into
the stream using the SRVSTR function.
Finally, we wish to converge the tear stream and controller specification simultane-
ously, hence we include the controller variable (flowrate of purge stream) and
specification (fraction of inerts in reactor feed) as part of the multivariable controller.
Note that since we have essentially remove the mass recycle loop, the two small
thermal loops will be fully converged at each iteration of the multivariable controller.
The input file for this strategy is given below. This strategy is suitable when there
are only few components and the recycle and controller loops are of similar size.
TITLE PROJ=APPBRIEFS,PROB=A6B,USER=SIMSCI,DATE=AUG 1995
PRINT INPUT=NONE, STREAM=PART, RATE=M, MBAL
DIMEN ENGLISH, PRES=PSIG
TOLE STREAM=1.E-4,1.E-4,1.E-4,1.E-4 $ NOTE 1
SEQUE CAL1, CP-4, MIX1, D-7, X-4, RX-7, FDEF, D-6, *
SP1, CTL1, D-8
COMPONENT DATA
LIBID 1,H2 / 2,N2 / 3,A / 4,C1 / 5,NH3

THERMO DATA
METHOD SYSTEM=SRKM, DENS(L)=RACKETT $ NOTE 1

STREAM DATA
OUTPUT FORMAT=1, NSTREAM=4 $ NOTE 3
FORMAT IDNO=1, NAME, PHASE, CRATE, LINE, RATE(M), MW, RATE(W), &
LINE, TEMP, PRES, ENTH, LINE, VAPOR, RATE (G,FT3/D), &
DENS (LB/FT3), LINE, LIQUID, ARATE(V,GAL/M), DENS(LB/GAL)
COMP=1,2424.3/2,807.5/3,9.58/4,15.16
$ INITIAL GUESS FOR RECYCLE STREAM
PROP STRM=40R, TEMP=85, PRES=4660, *
COMP=1,6000/2,2000/3,500/4,1000/5,1000
$ REFERENCE STREAM TO ELIMINATE THERMAL RECYCLE AROUND FDEF
PROP STRM=34, REFS=33, TEMP=575, PRESS=4780

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$ REFERENCE STREAM TO ELIMINATE THERMAL RECYCLE AROUND X-4
PROP STRM=30, REFS=29, TEMP=54, PRES=4900
NAME 28, SYN GAS / 31R, RECYCLE / 31P, PURGE / *
31, PRI SEP / 36, SEC SEP / 38, RX FEED / *
39, LET DWN GAS / 40, NH3 PROD
RXDATA
RXSET ID=1
REACTION ID=1
STOI 1,-3 / 2,-1 / 5,2 $ 3H2 + N2 =
2NH3
EQUI A=-32.975 B=22930.4
HORX REFCOMPONENT=2, HEAT=-45.108, REFTEMP=800
UNIT OPS DATA
CALC UID=CAL1
SEQU STRE=40R
PROCEDURE
$ Initial estimate for stream 40R
IF ( R(100).GT.0 ) GOTO 100
R(1) = P(1) $ H2
R(2) = P(2) $ N2
R(3) = P(3) $ A
R(4) = P(4) $ C1
R(5) = P(5) $ NH3
R(100) = 1
GOTO 200
100 CONTINUE
$ Store stream 40R
CALL SRVSTR(SCMR,R(1),40R,1,5)
200 CONTINUE
RETURN
COMP UID=CP-4, NAME=RECYCLE COMP
FEED 40R
PROD V=41
OPER POUT=4950, EFF=95, WTOL=0.00001

MIXE UID=MIX1
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FEED 28,41
PROD M=29

HX UID=X-4
OPER CTEM=85
FLASH UID=D-7, NAME=SEC SEP
FEED 30
PROD L=31, V=32
ISOT TEMP=40, PRES=4840

HX UID=FDEF, NAME=RX EFFL EXCH
HOT FEED=35, V=36, DP=30
OPER HTEM=430
$ SIMULATE THE REACTOR WITH AN EQUILIBRIUM MODEL
EQUREAC UID=RX-7, NAME=CONVERTER
FEED 34
PROD V=35
OPER PHASE=V, ADIA, DP=30, TEMP=900 $ TEMP ESTIMATE
RXCA
RXSTOIC RXSET=1
REACTION 1
BASE COMP=2
APPR DT=20

FLASH UID=D-6, NAME=PRI SEP
FEED 36
PROD V=38, L=37
ISOTHERMAL TEMP=85, PRES=4660

SPLIT UID=SP1, NAME=PURGE
FEED 38
PROD V=39, V=40
SPEC STRE=39, RATE, VALU=70
MVC UID=CTL1
SPEC STRE=32,COMP=3,4,FRAC,VALU=0.12,ATOL=1.0E-3
SPEC STRE=40,RATE,COMP=1,RA-
TIO,STRE=40R,RATE,COMP=1,VALU=1,RTOL=1.E-4
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VARY CALC=CAL1,R(1),MINI=100,PCT2=1
VARY SPLIT=SP1,SPEC,PCT2=1
MVCP CYCLES=100
FLASH UID=D-8, NAME=LETDOWN
FEED 31, 37
PROD L=43, V=42
ADIA PRES=350

RECYCLE DATA
ACCELERATION TYPE=WEGSTEIN
END
Input Data
The simulation uses English units with the pressure changed to psig. A plant mass
balance summary output is requested. An initial estimate is provided for the mass
recycle stream. A user-defined report is specified in the Stream Data category of
input (Note 3). Alternatively, PRO/II with PROVISIONs Stream Properties Table
can be used to generate an equivalent user-defined stream output.
The simulation is run twice, once with the fraction of inerts in the reactor feed specified
at 12% and then at 16%. Using keywords, both cases can be run automatically using
a CASESTUDY statement such as:
CASESTUDY OLDCASE=BASECASE, NEWCASE=16PT
CHANGE MVC=CTL1,SPEC(1),VALUE=0.16
Using PRO/II with PROVISION, the inert fraction specification can be changed
through the MVC data entry window, and the simulation executed a second time.
Results The synthesis loop solves with an ammonia product purity of 99.76%. When the
inert concentration in the reactor feed is increased to 16%, the flowrate of the
ammonia product stream increases by 1.2%. Its purity is now 99.74% A higher
concentration of inerts in the reactor feed stream increases the reactor conversion.
However, a higher recycle flowrate also produces corresponding increases in the
recycle compressor work and in the separator duties.
Clearly, the value of the increased ammonia must be set against the increased
operating costs in order to determine if the higher inerts concentration is a better
operating strategy.
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The simulation can be solved using either solution strategy. Both approaches yield
comparable results. For this flowsheet, the simultaneous solution strategy (strategy
II) only takes about 20% of the solution time to solve both the 12% and the 16%
case as compared to the time required by the first strategy. Note however that if
the simulation involved many more components, the first solution strategy would be
more efficient.
Conclusions The model can be used to quantify the effects of any operating changes although
economic analyses are required to identify the optimum conditions. Other parame-
ters which might be investigated are: the purity of the feed gas; ratio of recycle to
fresh feed; hydrogen/nitrogen ratio in the feed; synthesis loop pressure; and the
various temperature levels in the loop.
Output The flowsheet is first solved with 12% inerts in the reactor feed. Using solution
strategy I, the simulation converges at the third controller iteration. Each controller
iteration involves several recycle trials. Using solution strategy II, 15 multivariable
controller iterations are required to converge the flowsheet. Selected portions of the
output using solution strategy II (for 12% inerts only) are included in the following pages.
When the inert fraction specification is changed to 16% and the flowsheet is resolved,
strategy I takes 5 controller iterations (again, each of these involves numerous recycle
trials), while solution strategy II again requires 15 MVC iterations.
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Selected Output for Stategy II
Plant Material Balance
FEED STREAMS: 28 40R

PRODUCT STREAMS: 39 42 43
40


-------------------------------- LB-MOL/HR -------------------------------- PERCENT
----------------------------------------- -------------------- -------------------- -------------------- -------------------- -------------
1 H2 8511.308 -2366.171 6145.141 -.005 .00
2 N2 2773.595 -788.723 1984.873 -.001 .00
3 A 753.890 .000 753.891 -.001 .00
4 C1 854.626 .000 854.627 -.001 .00
5 NH3 845.725 1577.400 2423.118 .007 .00

TOTAL 13739.143 -1577.494 12161.649 .000 .00


------------------------------------ LB/HR ------------------------------------ PERCENT
----------------------------------------- -------------------- -------------------- -------------------- -------------------- -------------
1 H2 17158.80 -4770.20 12388.60 -.01 .00
2 N2 77696.71 -22094.51 55602.25 -.04 .00
3 A 30116.40 .00 30116.42 -.02 .00
4 C1 13710.77 .00 13710.78 -.01 .00
5 NH3 14403.54 26864.71 41268.12 .12 .00

TOTAL 153086.22 .00 153086.17 .00 .00

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MVC Summary
UNIT 10, CTL1

BEST CYCLE = 15

VARIABLE SPECIFIED CALCULATED RELATIVE RELATIVE
VALUE VALUE VALUE TOLERANCE ERROR
------------------------ ------------------------ ------------------------ ------------------------ ------------------------
1 6.08701E+03 1.20000E-01 1.19999E-01 8.33333E-03 -9.83177E-06
2 1.96609E+03 1.00000E+00 9.99930E-01 1.00000E-04 -6.98951E-05
3 7.44310E+02 1.00000E+00 9.99927E-01 1.00000E-04 -7.33082E-05
4 8.39466E+02 1.00000E+00 1.00000E+00 1.00000E-04 2.06018E-07
5 8.45725E+02 1.00000E+00 9.99996E-01 1.00000E-04 -4.09170E-06
6 6.81549E+01 1.00000E+00 9.99964E-01 1.00000E-04 -3.63003E-05

CONVERGENCE HISTORY

--------------------- --------------------- --------------------- --------------------- ---------------------
VARY 1 6.0000E+03 6.0600E+03 6.0600E+03 6.0600E+03 6.0600E+03
VARY 2 2.0000E+03 2.0000E+03 2.0200E+03 2.0200E+03 2.0200E+03
VARY 3 5.0000E+02 5.0000E+02 5.0000E+02 5.0500E+02 5.0500E+02
VARY 4 1.0000E+03 1.0000E+03 1.0000E+03 1.0000E+03 1.0100E+03
VARY 5 1.0000E+03 1.0000E+03 1.0000E+03 1.0000E+03 1.0000E+03
VARY 6 7.0000E+01 7.0000E+01 7.0000E+01 7.0000E+01 7.0000E+01
SPEC 1 1.1485E-01 1.1432E-01 1.1414E-01 1.1447E-01 1.1512E-01
REL ERR -4.29E-02 -4.74E-02 -4.89E-02 -4.61E-02 -4.06E-02
SPEC 2 9.9984E-01 9.9816E-01 9.9750E-01 9.9734E-01 9.9691E-01
REL ERR -1.57E-04 -1.84E-03 -2.50E-03 -2.66E-03 -3.09E-03
SPEC 3 9.9954E-01 9.9794E-01 9.9720E-01 9.9705E-01 9.9662E-01
REL ERR -4.56E-04 -2.06E-03 -2.80E-03 -2.95E-03 -3.38E-03
SPEC 4 1.0055E+00 1.0056E+00 1.0056E+00 1.0054E+00 1.0054E+00
REL ERR 5.53E-03 5.57E-03 5.59E-03 5.40E-03 5.41E-03
SPEC 5 9.9608E-01 9.9612E-01 9.9614E-01 9.9615E-01 9.9601E-01
REL ERR -3.92E-03 -3.88E-03 -3.86E-03 -3.85E-03 -3.99E-03
SPEC 6 8.4427E-01 8.4718E-01 8.4888E-01 8.4937E-01 8.5090E-01
REL ERR -1.56E-01 -1.53E-01 -1.51E-01 -1.51E-01 -1.49E-01
SUM SQ ERR 2.6141E-02 2.5650E-02 2.5284E-02 2.4876E-02 2.3951E-02

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MVC Summary, continued
--------------------- --------------------- --------------------- --------------------- ---------------------
VARY 1 6.0600E+03 6.0600E+03 6.2368E+03 6.1069E+03 6.1022E+03
VARY 2 2.0200E+03 2.0200E+03 2.0654E+03 2.0091E+03 1.9464E+03
VARY 3 5.0500E+02 5.0500E+02 5.1614E+02 5.8140E+02 7.1957E+02
VARY 4 1.0100E+03 1.0100E+03 1.0640E+03 1.0035E+03 8.6385E+02
VARY 5 1.0100E+03 1.0000E+03 8.4761E+02 8.6544E+02 8.3660E+02
VARY 6 7.0000E+01 7.0700E+01 6.9916E+01 6.4612E+01 5.8704E+01
SPEC 1 1.1512E-01 1.1512E-01 1.1740E-01 1.1941E-01 1.2001E-01
REL ERR -4.07E-02 -4.06E-02 -2.17E-02 -4.92E-03 1.08E-04
SPEC 2 9.9688E-01 9.9683E-01 9.8805E-01 9.9494E-01 1.0006E+00
REL ERR -3.12E-03 -3.17E-03 -1.19E-02 -5.06E-03 5.91E-04
SPEC 3 9.9659E-01 9.9653E-01 9.8776E-01 9.9470E-01 1.0007E+00
REL ERR -3.41E-03 -3.47E-03 -1.22E-02 -5.30E-03 6.96E-04
SPEC 4 1.0054E+00 1.0053E+00 1.0055E+00 1.0038E+00 1.0013E+00
REL ERR 5.39E-03 5.34E-03 5.48E-03 3.81E-03 1.34E-03
SPEC 5 9.9597E-01 9.9594E-01 9.9615E-01 9.9732E-01 1.0004E+00
REL ERR -4.03E-03 -4.06E-03 -3.85E-03 -2.68E-03 4.16E-04
SPEC 6 8.4245E-01 8.5083E-01 1.0297E+00 9.9306E-01 1.0122E+00
REL ERR -1.58E-01 -1.49E-01 2.97E-02 -6.94E-03 1.22E-02
SUM SQ ERR 2.6542E-02 2.3970E-02 1.6888E-03 1.4783E-04 1.5079E-04

--------------------- --------------------- --------------------- --------------------- ---------------------
VARY 1 6.0881E+03 6.0963E+03 6.0881E+03 6.0838E+03 6.0870E+03
VARY 2 1.9899E+03 1.9654E+03 1.9624E+03 1.9666E+03 1.9661E+03
VARY 3 6.5372E+02 7.2557E+02 7.4252E+02 7.4384E+02 7.4431E+02
VARY 4 9.3276E+02 8.5985E+02 8.4098E+02 8.3956E+02 8.3947E+02
VARY 5 8.5349E+02 8.4847E+02 8.4524E+02 8.4571E+02 8.4572E+02
VARY 6 6.5002E+01 6.4476E+01 6.7068E+01 6.8084E+01 6.8155E+01
SPEC 1 1.1990E-01 1.2002E-01 1.2000E-01 1.2000E-01 1.2000E-01
REL ERR -8.46E-04 1.45E-04 3.96E-05 -9.63E-06 -9.83E-06
SPEC 2 9.9747E-01 9.9959E-01 1.0001E+00 1.0001E+00 9.9993E-01
REL ERR -2.53E-03 -4.12E-04 1.01E-04 8.16E-05 -6.99E-05
SPEC 3 9.9731E-01 9.9958E-01 1.0001E+00 1.0001E+00 9.9993E-01
REL ERR -2.69E-03 -4.20E-04 1.20E-04 7.53E-05 -7.33E-05
SPEC 4 1.0020E+00 1.0007E+00 1.0001E+00 1.0000E+00 1.0000E+00
REL ERR 2.01E-03 6.69E-04 1.32E-04 1.35E-05 2.06E-07
SPEC 5 9.9847E-01 9.9991E-01 1.0001E+00 1.0000E+00 1.0000E+00
REL ERR -1.53E-03 -8.84E-05 6.55E-05 1.31E-07 -4.09E-06
SPEC 6 9.9970E-01 9.9900E-01 1.0004E+00 9.9985E-01 9.9996E-01
REL ERR -2.96E-04 -9.95E-04 4.03E-04 -1.54E-04 -3.63E-05
SUM SQ ERR 2.0834E-05 1.8134E-06 2.1004E-07 3.6393E-08 1.1691E-08

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Recycle Compressor Summary
UNIT 2, CP-4, RECYCLE COMP

FEEDS 40R

PRODUCTS VAPOR 41


--------------------- --------------------- ---------------------
TEMPERATURE, F 85.00 94.29 94.79
PRESSURE, PSIG 4660.00 4950.00 4950.00
CP, BTU/LB-MOL-F 8.2454 8.2583
CV, BTU/LB-MOL-F 5.3698 5.3999
CP/(CP-R) 1.3173 1.3166
CP/CV 1.5355 1.5293
MOLE PERCENT LIQUID .0000 .0000 .0000
HEAD, FT
ADIABATIC 5112.51
POLYTROPIC 5224.74
ACTUAL 5381.59
WORK, HP
THEORETICAL 322.75
POLYTROPIC 329.83
ACTUAL 339.73

CALCULATED FROM TEMPERATURE EQUATION

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Heat Exchanger
(Converter Preheater) Summary
UNIT 7, FDEF, RX EFFL EXCH


LMTD, F 353.173
F FACTOR (FT) 1.000
MTD, F 353.173
U*A, BTU/HR-F 140509.070

--------------------- ---------------------
FEED 35
VAPOR PRODUCT 36
VAPOR, LB-MOL/HR 11812.202 11812.202
M LB/HR 147.155 147.155
CP, BTU/LB-F .691 .678
TOTAL, LB-MOL/HR 11812.202 11812.202
M LB/HR 147.155 147.155
PRESSURE, PSIG 4730.000 4700.000

--------------------- ---------------------
FEED 33
VAPOR PRODUCT 34
VAPOR, LB-MOL/HR 13389.696 13389.696
M LB/HR 147.155 147.155
CP, BTU/LB-F .724 .694
TOTAL, LB-MOL/HR 13389.696 13389.696
M LB/HR 147.155 147.155
PRESSURE, PSIG 4790.000 4760.000

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Equilibrium Reactor
(Ammonia Converter) Summary
UNIT 6, RX-7, CONVERTER


DUTY, MM BTU/HR -.0100

INLET OUTLET
--------------------- ---------------------
FEED 34
VAPOR PRODUCT 35
PRESSURE, PSIG 4760.0000 4730.0000

REACTION DATA

----------------- RATES, LB-MOL/HR -------------------- FRACTION
------------------------------------ --------------------- --------------------- --------------------- ---------------------
1 H2 8508.5846 -2366.1713 6142.4133 .2781
2 N2 2772.6720 -788.7233 1983.9487 .2845
3 A 753.3920 .0000 753.3920
4 C1 853.3557 .0000 853.3557
5 NH3 501.6918 1577.4004 2079.0922

TOTAL 13389.6961 -1577.4941 11812.2019

LB-MOL/HR FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED(1)
------------------------------------ --------------------- --------------------- ------------------------
2 N2 1 788.7233 .2845


--------------------- RATES, LB/HR ------------------------ FRACTION
------------------------------------ --------------------- --------------------- --------------------- ---------------------
1 H2 17153.3068 -4770.2014 12383.1054 .2781
2 N2 77670.8612 -22094.5057 55576.3555 .2845
3 A 30096.5061 .0000 30096.5061
4 C1 13690.3849 .0000 13690.3849
5 NH3 8544.3123 26864.7071 35409.0195

TOTAL 147155.3714 .0000 147155.3714

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STREAM ID 28 29 30 31
NAME SYN GAS
PHASE LIQUID VAPOR MIXED LIQUID

NAME SYN GAS
PHASE LIQUID VAPOR MIXED LIQUID
COMP. MOLE RATES,
LB-MOL/HR
1 H2 2424.3000 8511.3078 8511.3078 2.7243
2 N2 807.5000 2773.5948 2773.5948 .9232
3 A 9.5800 753.8901 753.8901 .4982
4 C1 15.1600 854.6261 854.6261 1.2706
5 NH3 .0000 845.7246 845.7246 344.0312

RATE, LB-MOL/HR 3256.5400 13739.1435 13739.1435 349.4474
RATE, LB/HR 28133.8005 153086.2156 153086.2156 5930.8337

TEMPERATURE, F 95.00 93.58 59.61 40.00
PRESSURE, PSIG 4955.000 4950.000 4900.000 4840.000
ENTHALPY, M BTU/LB-MOL 1.0702 1.4747 1.1159 .3045

*** VAPOR PHASE ***
RATE, M FT3/DAY N/A 125130.7485 123806.3710 N/A
DENSITY, LB/M FT3 N/A 7676.0312 8011.2230 N/A

ACT.RATE, GAL/MIN 238.0490 N/A 8.0727 18.8957
DENSITY, LB/GAL 1.9698 N/A 5.0904 5.2312

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User-defined Stream Output, continued
STREAM ID 32 33 34 35
NAME SEC SEP RX FEED

NAME SEC SEP RX FEED
COMP. MOLE RATES,
LB-MOL/HR
1 H2 8508.5846 8508.5846 8508.5846 6142.4133
2 N2 2772.6720 2772.6720 2772.6720 1983.9487
3 A 753.3920 753.3920 753.3920 753.3920
4 C1 853.3557 853.3557 853.3557 853.3557
5 NH3 501.6918 501.6918 501.6918 2079.0922

RATE, LB-MOL/HR 13389.6961 13389.6961 13389.6961 11812.2019
RATE, LB/HR 147155.3714 147155.3714 147155.3714 147155.3714

TEMPERATURE, F 40.00 85.00 564.19 925.67
PRESSURE, PSIG 4840.000 4790.000 4760.000 4730.000
ENTHALPY, M BTU/LB-MOL .8625 1.2306 4.9367 9.3062

*** VAPOR PHASE ***
RATE, M FT3/DAY 121948.1178 121948.1178 121948.1178 107580.9178
DENSITY, LB/M FT3 8118.0517 7428.6861 4176.6242 3589.5439

ACT.RATE, GAL/MIN N/A N/A N/A N/A
DENSITY, LB/GAL N/A N/A N/A N/A

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STREAM ID 36 37 38 39
NAME PRI SEP PURGE
PHASE VAPOR LIQUID VAPOR VAPOR

NAME PRI SEP PURGE
PHASE VAPOR LIQUID VAPOR VAPOR
COMP. MOLE RATES,
LB-MOL/HR
1 H2 6142.4133 16.2589 6126.1578 39.5755
2 N2 1983.9487 5.2164 1978.7334 12.7828
3 A 753.3920 4.2426 749.1498 4.8396
4 C1 853.3557 8.4352 844.9210 5.4583
5 NH3 2079.0922 1227.8940 851.1927 5.4988

RATE, LB-MOL/HR 11812.2019 1262.0471 10550.1548 68.1549
RATE, LB/HR 147155.3714 21395.9769 125759.3637 812.4157

TEMPERATURE, F 430.00 85.00 85.00 85.00
PRESSURE, PSIG 4700.000 4660.000 4660.000 4660.000
ENTHALPY, M BTU/LB-MOL 5.1051 1.1552 1.5032 1.5032

*** VAPOR PHASE ***
RATE, M FT3/DAY 107580.9178 N/A 96086.6859 620.7278
DENSITY, LB/M FT3 5388.1533 N/A 8038.6248 8038.6248

ACT.RATE, GAL/MIN N/A 72.7195 N/A N/A
DENSITY, LB/GAL N/A 4.9038 N/A N/A

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STREAM ID 40 40R 41 42
NAME RECYCLE LET DWN GAS

NAME RECYCLE LET DWN GAS
COMP. MOLE RATES,
LB-MOL/HR
1 H2 6086.5824 6087.0078 6087.0078 18.1377
2 N2 1965.9507 1966.0948 1966.0948 5.8231
3 A 744.3103 744.3101 744.3101 4.2332
4 C1 839.4627 839.4661 839.4661 7.7257
5 NH3 845.6939 845.7246 845.7246 31.3167

RATE, LB-MOL/HR 10481.9999 10482.6035 10482.6035 67.2363
RATE, LB/HR 124946.9480 124952.4151 124952.4151 1026.0939

TEMPERATURE, F 85.00 85.00 94.79 80.66
PRESSURE, PSIG 4660.000 4660.000 4950.000 350.000
ENTHALPY, M BTU/LB-MOL 1.5032 1.5179 1.6003 4.9114

*** VAPOR PHASE ***
RATE, M FT3/DAY 95465.9581 95471.4551 95471.4551 612.3622
DENSITY, LB/M FT3 8038.6248 8038.4996 8284.7204 1011.3384

ACT.RATE, GAL/MIN N/A N/A N/A N/A
DENSITY, LB/GAL N/A N/A N/A N/A

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STREAM ID 43
NAME NH3 PROD
PHASE LIQUID

NAME NH3 PROD
PHASE LIQUID
COMP. MOLE RATES,
LB-MOL/HR
1 H2 .8456
2 N2 .3165
3 A .5076
4 C1 1.9801
5 NH3 1540.6085

RATE, LB-MOL/HR 1544.2582
RATE, LB/HR 26300.7166

ENTHALPY, M BTU/LB-MOL .7991

*** VAPOR PHASE ***
RATE, M FT3/DAY N/A
DENSITY, LB/M FT3 N/A

ACT.RATE, GAL/MIN 87.6620
DENSITY, LB/GAL 5.0004

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MTBE Synthesi s-reacti ve
Di sti l l ati on
1
You have been asked to design the reaction and recovery sections
of a 200,000 metric tonne per year methyl tertiary butyl ether
(MTBE) plant. The MTBE is formed from reactions with iso-butylene
and methanol in a standard reactor, and in a reactive distillation col-
umn.
Process
Data
A schematic of the process flowsheet is shown in Figure A7.1. The
feed stream information is given in Table A7.1.
Fi gure A7. 1: MTBE Synthesi s
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PRO/II APPLICATION BRIEFS MTBE Synthesi s A7-1
J anuary 1995
1
For a more comprehensive simulation of the MTBE process, please see the PRO/II Casebook Methyl Tertiary
Butyl Ether (MTBE) Plant, available from your SimSci representative.
Tabl e A7. 1: Feed Stream Informati on
Component
C4s Feed
kg-mol /hr
MeOH
kg-mol /hr
Recycl e
kg-mol /hr
n-Butane 76.5 ---- ----
iso-Butane 348.5 ---- ----
Butene-1 59.5 ---- ----
cis Butene-2 34.0 ---- ----
trans Butene-2 51.0 ---- ----
iso-Butylene 280.5 ---- ----
Methanol ---- 277.5 7.0
Water ---- ---- 0.2
Total (kg-mol /hr) 850 277.5 7.2
Temperature (C) 16 16 44
Pressure (kPa) 1620 1620 1724
The feed stream is preheated to 43.5 C before being sent to the re-
actor where the three reactions shown in Table A7.2 take place.
Tabl e A7. 2: Reacti on Stoi chi ometry
Reacti on Base Comp. Conversi on, %
2 IBTE =DIB IBTE 0.25
H2O +IBTE =TBA H2O 100.0
IBTE +MEOH =MTBE MEOH 96.0
In the main reaction, 96% of the methanol reacts with IBTE to form
MTBE. The MTBE reactive distillation column follows the reactor.
The MTBE column feed is first heat exchanged with the column bot-
toms product. The IBTE further reacts in the column to give an over-
all conversion to MTBE approaching 99%. The kinetics of the
reaction MeOH + IBTE = MTBE is given by the following expres-
sions
2
:
2
The kinetic expressions given are for demonstration purposes only.
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A7-2 MTBE Synthesi s PRO/II APPLICATION BRIEFS
J anuary 1995
r ks KA
CAC
B
0.5
C
C
1.5
/ K
1
]
/ [1 + KACA + KCCC] , mol/gcat.h
where:
A,B,C = Methanol, IBTE and MTBE respectively
ks = 4.32 x 1016exp(-87900/RT)
KA = 5.1 x 10-13exp(97500/RT)
K = exp(-17.31715 + (7196.776/T))
KC = 1.6 x 10-16exp(119000/RT)
The methanol has a higher boiling point than the MTBE. However,
the unreacted methanol forms an azeotrope with the C4s in the feed
and is fractionated away from the MTBE bottoms product. The
MTBE product is greater than 99.5% pure, and requires no further
purification.
Methods
and Data
All the components in the simulation are in the PRO/II databanks.
The NRTL liquid activity VLE method is adequate for the thermody-
namic calculations. Interaction parameters missing from the NRTL
databank are supplied by UNIFAC. All the azeotropes are properly
predicted.
Si mul ati on
Methods
The feed preheater is modeled by a simple heat exchanger (HX-1).
The heated feed stream is then sent to the conversion reactor (RX-
1) where all three reactions specified in Table A7.2 occur at their
specified conversion levels. The column feed heat exchanger loop is
effectively removed by referencing the column feed stream 4 to the
reactor product stream 5. This means that stream 4 takes its compo-
sition and rate from 5, but its temperature and pressure are calcu-
lated by the heat exchanger after the MTBE column when both
streams are known.
The heat exchanger product is fed onto tray 23 of the 40 tray MTBE
column. Reaction of the IBTE and MeOH to MTBE occurs in the liq-
uid phase on the tray above the feed, tray 22. The liquid volume on
tray 22 is specified, while the reaction rate is calculated via in-line ki-
netics in a Procedure Data Section.
Input Data The simulation uses SI units. A plant mass balance summary output
is requested. Note how the reaction tray in the MTBE column is
specified (Note 1). The catalyst concentration in g/l is specified using
a DEFINE statement (Note 2).
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Input Data Fi l e
TITLE PROJ=APPBRIEF, PROB=MTBE PLANT, USER=SIMSCI, &
DATE=JUNE92
DIMEN SI, TEMP=C
PRINT INPUT=NONE, STREAM=COMPONENT, MBAL
COMP DATA
LIBID 1,NC4 / & $ N-BUTANE
2,IC4 / & $ I-BUTANE
3,1BUTENE / & $ BUTENE-1
4,BTC2 / & $ CIS BUTENE-2
5,BTT2 / & $ TRANS BUTENE-2
6,IBTE / & $ ISO BUTENE
7,MTBE / & $ METHYL TERTIARY BUTYL ETHER
8,MEOH / & $ METHANOL
9,TBA / & $ TERT BUTYL ALCOHOL
10,H2O / & $ WATER
11,244TM1P,,DIB $ DI-ISO BUTYLENE & ISOMERS
THERMO DATA
METHOD SYSTEM=NRTL, TRANSPORT=PURE, SET=S1
KVALUE(VLE) FILL=UNIFAC
METHOD SYSTEM(VLLE)=NRTL, L1KEY=1, L2KEY=10, SET=S2
KVALUE(VLLE) FILL=UNIFAC
STREAM DATA
PROP STRM= 1, TEMP=16, PRES=1620, COMP=8,277.5
PROP STRM= 2, TEMP=16, PRES=1620, COMP=9/41/7/4/6/33, &
RATE=850, NORMALIZE
PROP STRM= 5, TEMP=72, PRES=1482, REFS=4
PROP STRM=20, TEMP=44, PRES=1724, COMP=8,7.0/10,0.2
NAME 1, MEOH FEED / 2, OLEFINS / 20, MEOH RECYC / &
6, T-1 OVHD / 8, MTBE / 11, C4S / 15, FLARE GAS
OUTPUT FORMAT=CHEMICAL

RXDATA
RXSET ID=MTBE
REACTION ID=MTBE
STOICH 6, -1/8, -1/7, 1
PHASE DEFAULT=LIQUID
BASE COMP=8
KINETIC PROCEDURE=MTBE, POSITION=1
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PROCEDURE DATA
PROCEDURE(RXKINE) ID=MTBE,NAME=MTBE KINETIX
PARA MAXNOR=1
REAL KS,KC,K,LITRES,KA
INTEGER IBTE,MEOH,MTBE
PDATA GCAT
CODE
R=8.314
TK=((RTEMP-32.0)/1.8) + 273.15
IBTE=6
MTBE=7
MEOH=8
LITRES=RLVOLU*1000.
GCATX=GCAT*LITRES
KS=6.0E+16*EXP(-87900.0/(R*TK))
KA=5.1E-13*EXP(97500.0/(R*TK))
KC=1.6E-16*EXP(119000.0/(R*TK))
K=EXP(-17.31715+(7196.776/TK))
RHOA=(XLCONC(MEOH)/GCAT)
RHOB=(XLCONC(ITBE)/GCAT)
RHOC=(XLCONC(MTBE)/GCAT)
RDEM=(1.0 + (KA*RHOA) + (KC*RHOC))
RATE=KS*KA*(RHOA*(RHOB**0.5)-((RHOC**1.5)/K))/RDEM
RRATES(1) = RATE*GCATX*1000./LITRES
RETURN
UNIT OPS
HX UID=HX-1, NAME=FEED HEAT
COLD FEED=1,2,20, L=3, DP=34.5
OPER CTEMP=43.5
REACTOR UID=RX-1, NAME=REACTORS
FEED 3
PROD L=4
OPER TEMP=55, DP=69
RXCALC MODEL=STOIC, CONVERSION
STOIC 6,-2 / 11,1 $ IBTE + IBTE = DIB
BASE COMP=6
CONV 0.0025
STOIC 10,-1 / 6,-1 / 9,1 $ H2O + IBTE = TBA
BASE COMP=10
CONV 1.00
STOIC 6,-1 / 8,-1 / 7,1 $ IBTE + MEOH = MTBE
BASE COMP=8
CONV 0.96
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COLUMN UID=T-1, NAME=MTBE COLUMN
PARA TRAY=40, CHEM=80, DAMP=0.6
FEED 5,23
PROD OVHD=6, BTMS=7,280
PSPEC TOP=656, DPCOL=41.5
COND TYPE=TFIX, PRES=621, TEMP=43.5
DUTY 1,1 / 2,40
VARY DUTY=1,2
SPEC STRM=7,RATE,VALUE=278.0
SPEC RRATIO, VALUE=1.0
PRINT ITER=PART,XYDATA,PROP=BRIEF
RXTRAY MTBE,22 $NOTE 1
LVOL(FT3) 22,28
ESTI MODEL=CHEM
DEFINE GCAT AS 12.4 $NOTE 2
HX UID=HX-2, NAME=FEED-BTMS
COLD FEED=4, L=5X, DP=34.5
HOT FEED=7, L=8, DP=34.5
OPER CTEMP=72
END
Resul ts Overall, 98.8% of the IBTE was converted to MTBE, with 96% of that
occuring in the reactor and the remainder in the MTBE reactive distil-
lation column. The MTBE product stream was over 99.5% pure.
1) Reactor summary
2) MTBE reactive distillation column summary
3) Stream output for selected streams.
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Reactor Summary
REACTOR SUMMARY JUNE92
==============================================================================

UNIT 2, RX-1, REACTORS


DUTY, M*KJ/HR -11.3243
TOTAL HEAT OF REACTION AT 25.00 C, M*KJ/HR -20.5229

INLET OUTLET
--------------------- ---------------------
FEED 3
LIQUID PRODUCT 4
PRESSURE, KPA 1585.5000 1516.5000

REACTION DATA

----------------- RATES, KG-MOL/HR -------------------- FRACTION
------------------------------------ --------------------- --------------------- --------------------- ---------------------
1 NC4 76.5000 0.0000 76.5000
2 IC4 348.5000 0.0000 348.5000
3 1BUTENE 59.5000 0.0000 59.5000
4 BTC2 34.0000 0.0000 34.0000
5 BTT2 51.0000 0.0000 51.0000
6 IBTE 280.5000 -274.0213 6.4787 0.9769
7 MTBE 0.0000 273.1200 273.1200
8 MEOH 284.5000 -273.1200 11.3800 0.9600
9 TBA 0.0000 0.2000 0.2000
10 H2O 0.2000 -0.2000 0.0000 1.0000
11 DIB 0.0000 0.3506 0.3506

TOTAL 1134.7001 -273.6707 861.0294

KG-MOL/HR FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED(1)
------------------------------------ --------------------- --------------------- ------------------------
6 IBTE 1 0.7013 2.50000E-03
10 H2O 2 0.2000 1.0000
8 MEOH 3 273.1200 0.9600

(1) FRACTION CONVERTED BASED ON AMOUNT IN FEED

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Reactor Summary, conti nued

REACTOR SUMMARY JUNE92
==============================================================================

UNIT 2, RX-1, REACTORS (CONT)


--------------------- RATES, KG/HR ------------------------ FRACTION
------------------------------------ --------------------- --------------------- --------------------- ---------------------
1 NC4 4446.4863 0.0000 4446.4863
2 IC4 20256.2148 0.0000 20256.2148
3 1BUTENE 3338.4260 0.0000 3338.4258
4 BTC2 1907.6719 0.0000 1907.6719
5 BTT2 2861.5081 0.0000 2861.5081
6 IBTE 15738.2949 -15374.7861 363.5092 0.9769
7 MTBE 0.0000 24075.2559 24075.2559
8 MEOH 9115.9492 -8751.3115 364.6378 0.9600
9 TBA 0.0000 14.8248 14.8248
10 H2O 3.6030 -3.6030 0.0000 1.0000
11 DIB 0.0000 39.3450 39.3450

TOTAL 57668.1563 -0.2773 57667.8789
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MTBE Reacti ve Col umn Summary

UNIT 3, T-1, MTBE COLUMN


CHEM METHOD 34

COLUMN SUMMARY

DEG C KPA KG-MOL/HR M*KJ/HR
------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- ------------------------
1C 43.5 621.00 578.9 578.9L -23.5415
2 52.9 656.00 608.1 1157.8
3 53.5 657.09 603.9 1187.0
4 53.9 658.18 601.5 1182.9
5 54.1 659.28 600.2 1180.5
6 54.3 660.37 599.5 1179.1
7 54.4 661.46 599.2 1178.4
8 54.5 662.55 599.0 1178.1
9 54.5 663.64 598.9 1177.9
10 54.6 664.74 598.9 1177.8
11 54.7 665.83 598.8 1177.8
12 54.8 666.92 598.8 1177.7
13 54.8 668.01 598.8 1177.7
14 54.9 669.11 598.8 1177.7
15 55.0 670.20 598.7 1177.7
16 55.0 671.29 598.5 1177.6
17 55.1 672.38 598.1 1177.4
18 55.3 673.47 597.1 1177.0
19 55.5 674.57 594.6 1176.0
20 56.0 675.66 588.4 1173.5
21 57.0 676.75 573.7 1167.3
22 59.5 677.84 530.7 1152.6
23 64.1 678.93 1322.9 1113.7 861.0M
24 65.3 680.03 1309.9 1044.9
25 66.5 681.12 1298.6 1031.9
26 67.6 682.21 1289.7 1020.6
27 68.6 683.30 1283.1 1011.7
28 69.6 684.39 1278.9 1005.1
29 70.4 685.49 1276.3 1000.9
30 71.2 686.58 1273.9 998.3
31 72.3 687.67 1267.7 995.9
32 74.6 688.76 1247.9 989.7
33 80.3 689.86 1206.8 969.9
34 92.8 690.95 1180.9 928.8
35 109.1 692.04 1221.2 902.9
36 121.0 693.13 1286.1 943.2
37 126.4 694.22 1325.5 1008.1
38 128.4 695.32 1341.7 1047.5
39 129.1 696.41 1347.8 1063.7
40R 129.4 697.50 1069.8 278.0L 24.2402
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MTBE Reacti ve Col umn Summary, conti nued

UNIT 3, T-1, MTBE COLUMN (CONT)


--------- ------------------------ ------------ -------- -------- ------------ ------------------------ ------------------------
FEED 5 MIXED 23 0.9402 861.03 9.8320
PROD 6 LIQUID 1 578.91 3.3667
PROD 7 LIQUID 40 278.00 7.3562

OVERALL MOLE BALANCE, (FEEDS - PRODUCTS) 4.12
TOTAL HEAT OF REACTION AT STANDARD CONDITIONS -0.1921

SPECIFICATIONS

--------------------------------- -------- ------------ ------------------------- -------------------- --------------------
STRM 7 40 MOL RATE 2.780E+02 2.780E+02
UNIT T-1 1 RRATIO 1.000E+00 1.000E+00

REFLUX RATIOS

---------------- REFLUX RATIOS ----------------
----------------- ----------------- -----------------

MOLAR REACTION RATES KG-MOL/HR

-------------------- -------------------- -------------------- --------------------
1 NC4 0.0000 0.0000 0.0000 0.0000
2 IC4 0.0000 0.0000 0.0000 0.0000
3 1BUTENE 0.0000 0.0000 0.0000 0.0000
4 BTC2 0.0000 0.0000 0.0000 0.0000
5 BTT2 0.0000 0.0000 0.0000 0.0000
6 IBTE 0.0000 0.0000 0.0000 0.0000
7 MTBE 0.0000 0.0000 0.0000 0.0000
8 MEOH 0.0000 0.0000 0.0000 0.0000
9 TBA 0.0000 0.0000 0.0000 0.0000
10 H2O 0.0000 0.0000 0.0000 0.0000
11 DIB 0.0000 0.0000 0.0000 0.0000

TEMPERATURE, DEG C 43.500 52.872 53.505 53.875
PRESSURE, KPA 621.000 656.000 657.092 658.184
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-------------------- -------------------- -------------------- --------------------
1 NC4 0.0000 0.0000 0.0000 0.0000
2 IC4 0.0000 0.0000 0.0000 0.0000
3 1BUTENE 0.0000 0.0000 0.0000 0.0000
4 BTC2 0.0000 0.0000 0.0000 0.0000
5 BTT2 0.0000 0.0000 0.0000 0.0000
6 IBTE 0.0000 0.0000 0.0000 0.0000
7 MTBE 0.0000 0.0000 0.0000 0.0000
8 MEOH 0.0000 0.0000 0.0000 0.0000
9 TBA 0.0000 0.0000 0.0000 0.0000
10 H2O 0.0000 0.0000 0.0000 0.0000
11 DIB 0.0000 0.0000 0.0000 0.0000

PRESSURE, KPA 659.276 660.368 661.461 662.553

-------------------- -------------------- -------------------- --------------------
1 NC4 0.0000 0.0000 0.0000 0.0000
2 IC4 0.0000 0.0000 0.0000 0.0000
3 1BUTENE 0.0000 0.0000 0.0000 0.0000
4 BTC2 0.0000 0.0000 0.0000 0.0000
5 BTT2 0.0000 0.0000 0.0000 0.0000
6 IBTE 0.0000 0.0000 0.0000 0.0000
7 MTBE 0.0000 0.0000 0.0000 0.0000
8 MEOH 0.0000 0.0000 0.0000 0.0000
9 TBA 0.0000 0.0000 0.0000 0.0000
10 H2O 0.0000 0.0000 0.0000 0.0000
11 DIB 0.0000 0.0000 0.0000 0.0000
PRESSURE, KPA 663.645 664.737 665.829 666.921

-------------------- -------------------- -------------------- --------------------
1 NC4 0.0000 0.0000 0.0000 0.0000
2 IC4 0.0000 0.0000 0.0000 0.0000
3 1BUTENE 0.0000 0.0000 0.0000 0.0000
4 BTC2 0.0000 0.0000 0.0000 0.0000
5 BTT2 0.0000 0.0000 0.0000 0.0000
6 IBTE 0.0000 0.0000 0.0000 0.0000
7 MTBE 0.0000 0.0000 0.0000 0.0000
8 MEOH 0.0000 0.0000 0.0000 0.0000
9 TBA 0.0000 0.0000 0.0000 0.0000
10 H2O 0.0000 0.0000 0.0000 0.0000
11 DIB 0.0000 0.0000 0.0000 0.0000

PRESSURE, KPA 668.013 669.105 670.197 671.289
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-------------------- -------------------- -------------------- --------------------
1 NC4 0.0000 0.0000 0.0000 0.0000
2 IC4 0.0000 0.0000 0.0000 0.0000
3 1BUTENE 0.0000 0.0000 0.0000 0.0000
4 BTC2 0.0000 0.0000 0.0000 0.0000
5 BTT2 0.0000 0.0000 0.0000 0.0000
6 IBTE 0.0000 0.0000 0.0000 0.0000
7 MTBE 0.0000 0.0000 0.0000 0.0000
8 MEOH 0.0000 0.0000 0.0000 0.0000
9 TBA 0.0000 0.0000 0.0000 0.0000
10 H2O 0.0000 0.0000 0.0000 0.0000
11 DIB 0.0000 0.0000 0.0000 0.0000

PRESSURE, KPA 672.382 673.474 674.566 675.658

-------------------- -------------------- -------------------- --------------------
1 NC4 0.0000 0.0000 0.0000 0.0000
2 IC4 0.0000 0.0000 0.0000 0.0000
3 1BUTENE 0.0000 0.0000 0.0000 0.0000
4 BTC2 0.0000 0.0000 0.0000 0.0000
5 BTT2 0.0000 0.0000 0.0000 0.0000
6 IBTE 0.0000 -4.1246 0.0000 0.0000
7 MTBE 0.0000 4.1246 0.0000 0.0000
8 MEOH 0.0000 -4.1246 0.0000 0.0000
9 TBA 0.0000 0.0000 0.0000 0.0000
10 H2O 0.0000 0.0000 0.0000 0.0000
11 DIB 0.0000 0.0000 0.0000 0.0000

PRESSURE, KPA 676.750 677.842 678.934 680.026
VOLUME, M3 0.793

-------------------- -------------------- -------------------- --------------------
1 NC4 0.0000 0.0000 0.0000 0.0000
2 IC4 0.0000 0.0000 0.0000 0.0000
3 1BUTENE 0.0000 0.0000 0.0000 0.0000
4 BTC2 0.0000 0.0000 0.0000 0.0000
5 BTT2 0.0000 0.0000 0.0000 0.0000
6 IBTE 0.0000 0.0000 0.0000 0.0000
7 MTBE 0.0000 0.0000 0.0000 0.0000
8 MEOH 0.0000 0.0000 0.0000 0.0000
9 TBA 0.0000 0.0000 0.0000 0.0000
10 H2O 0.0000 0.0000 0.0000 0.0000
11 DIB 0.0000 0.0000 0.0000 0.0000

PRESSURE, KPA 681.118 682.210 683.303 684.395
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-------------------- -------------------- -------------------- --------------------
1 NC4 0.0000 0.0000 0.0000 0.0000
2 IC4 0.0000 0.0000 0.0000 0.0000
3 1BUTENE 0.0000 0.0000 0.0000 0.0000
4 BTC2 0.0000 0.0000 0.0000 0.0000
5 BTT2 0.0000 0.0000 0.0000 0.0000
6 IBTE 0.0000 0.0000 0.0000 0.0000
7 MTBE 0.0000 0.0000 0.0000 0.0000
8 MEOH 0.0000 0.0000 0.0000 0.0000
9 TBA 0.0000 0.0000 0.0000 0.0000
10 H2O 0.0000 0.0000 0.0000 0.0000
11 DIB 0.0000 0.0000 0.0000 0.0000

PRESSURE, KPA 685.487 686.579 687.671 688.763

-------------------- -------------------- -------------------- --------------------
1 NC4 0.0000 0.0000 0.0000 0.0000
2 IC4 0.0000 0.0000 0.0000 0.0000
3 1BUTENE 0.0000 0.0000 0.0000 0.0000
4 BTC2 0.0000 0.0000 0.0000 0.0000
5 BTT2 0.0000 0.0000 0.0000 0.0000
6 IBTE 0.0000 0.0000 0.0000 0.0000
7 MTBE 0.0000 0.0000 0.0000 0.0000
8 MEOH 0.0000 0.0000 0.0000 0.0000
9 TBA 0.0000 0.0000 0.0000 0.0000
10 H2O 0.0000 0.0000 0.0000 0.0000
11 DIB 0.0000 0.0000 0.0000 0.0000

PRESSURE, KPA 689.855 690.947 692.039 693.131

-------------------- -------------------- -------------------- --------------------
1 NC4 0.0000 0.0000 0.0000 0.0000
2 IC4 0.0000 0.0000 0.0000 0.0000
3 1BUTENE 0.0000 0.0000 0.0000 0.0000
4 BTC2 0.0000 0.0000 0.0000 0.0000
5 BTT2 0.0000 0.0000 0.0000 0.0000
6 IBTE 0.0000 0.0000 0.0000 0.0000
7 MTBE 0.0000 0.0000 0.0000 0.0000
8 MEOH 0.0000 0.0000 0.0000 0.0000
9 TBA 0.0000 0.0000 0.0000 0.0000
10 H2O 0.0000 0.0000 0.0000 0.0000
11 DIB 0.0000 0.0000 0.0000 0.0000

PRESSURE, KPA 694.224 695.316 696.408 697.500
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Stream Component Summary
STREAM MOLAR COMPONENT RATES JUNE92
==============================================================================

STREAM ID 1 2 3 4
NAME MEOH FEED OLEFINS

1 NC4 0.0000 76.5000 76.5000 76.5000
2 IC4 0.0000 348.5000 348.5000 348.5000
3 1BUTENE 0.0000 59.5000 59.5000 59.5000
4 BTC2 0.0000 34.0000 34.0000 34.0000
5 BTT2 0.0000 51.0000 51.0000 51.0000
6 IBTE 0.0000 280.5000 280.5000 6.4787
7 MTBE 0.0000 0.0000 0.0000 273.1200
8 MEOH 277.5000 0.0000 284.5000 11.3800
9 TBA 0.0000 0.0000 0.0000 0.2000
10 H2O 0.0000 0.0000 0.2000 0.0000
11 DIB 0.0000 0.0000 0.0000 0.3506


TEMPERATURE, C 16.0000 16.0000 43.5000 55.0000
PRESSURE, KPA 1620.0000 1620.0000 1585.5000 1516.5000
ENTHALPY, M*KJ/HR 0.3427 1.7599 5.9033 7.3359
MOLE FRAC VAPOR 0.0000 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000 1.0000

STREAM ID 5 5X 6 7
NAME T-1 OVHD

1 NC4 76.5000 76.5000 76.4878 0.0123
2 IC4 348.5000 348.5000 348.4996 3.1131E-04
3 1BUTENE 59.5000 59.5000 59.4986 1.3797E-03
4 BTC2 34.0000 34.0000 33.9306 0.0697
5 BTT2 51.0000 51.0000 50.9721 0.0281
6 IBTE 6.4787 6.4787 2.3540 8.0061E-04
7 MTBE 273.1200 273.1200 2.5736E-07 277.2434
8 MEOH 11.3800 11.3800 7.1626 0.0935
9 TBA 0.2000 0.2000 1.8367E-05 0.2000
10 H2O 0.0000 0.0000 0.0000 0.0000
11 DIB 0.3506 0.3506 6.2656E-11 0.3506


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Stream Component Summary, conti nued
STREAM MOLAR COMPONENT RATES JUNE92
==============================================================================

STREAM ID 5 5X 6 7
NAME T-1 OVHD

TEMPERATURE, C 72.0000 72.0000 43.5000 129.3670
PRESSURE, KPA 1482.0000 1482.0000 621.0000 697.5000
ENTHALPY, M*KJ/HR 9.8321 9.8321 3.3667 7.3562
MOLE FRAC VAPOR 0.0000 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000 1.0000

STREAM ID 8 20
NAME MTBE MEOH RECYC
PHASE LIQUID LIQUID

1 NC4 0.0123 0.0000
2 IC4 3.1131E-04 0.0000
3 1BUTENE 1.3797E-03 0.0000
4 BTC2 0.0697 0.0000
5 BTT2 0.0281 0.0000
6 IBTE 8.0061E-04 0.0000
7 MTBE 277.2434 0.0000
8 MEOH 0.0935 7.0000
9 TBA 0.2000 0.0000
10 H2O 0.0000 0.2000
11 DIB 0.3506 0.0000


PRESSURE, KPA 663.0000 1724.0000
ENTHALPY, M*KJ/HR 4.8599 0.0253
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Ai r Separati on Pl ant
An air separation plant produces approximately 1500 tonnes per day of oxy-
gen. Most of this oxygen is produced as vapor with only about 7.5% as liq-
uid. The marketing department of your company has determined that it
would be better to produce more liquid product and you must define a base
case model for this to be investigated.
Process
Data
The flowsheet is shown in Figure A8.1. The separation of oxygen
and nitrogen is carried out in a double distillation column. This con-
sists of two separate columns which are physically placed one on
top of the other. The bottom column (HP Column) operates at about
6 atmospheres and its condenser is the reboiler for the upper, lower
pressure column (LP Column). The HP Column bottom product is
fed to the LP Column as feed and the reflux to the LP Column is pro-
vided by the liquid top product from the HP Column. The LP Column
operates just above 1 atmosphere.
Fi gure A8. 1: Ai r Separati on Fl owsheet
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PRO/II APPLICATION BRIEFS Ai r Separati on Pl ant A8-1
J anuary 1995
The Argon Column takes a vapor side draw from the LP Column
and returns its bottom product to the tray below the draw. The ar-
gon product is drawn overhead.
Before entering the columns, the carbon dioxide and water are re-
moved from the feed air. The details of the feed are shown in Table
A8.1. The traces of rare gases other than argon are ignored.
Tabl e A8. 1: Feed Ai r Composi ti on
Component Mol e %
Nitrogen 78.11
Argon 0.93
Oxygen 20.96
Fl owrate (kmol /hr) 9386.00
The air fed to the bottom of the HP Column is precooled to its dew
point by exchange with the gaseous products. Ten percent of the
feed air is split off and fed to the LP Column at 5K above its dew
point.
Because the main uses of nitrogen are to exclude oxygen, the nitro-
gen product must contain very little oxygen. In this process, the
amount of oxygen in the nitrogen product must not exceed 10ppm.
Impurities in the oxygen product are not as tightly controlled but the
purity must be greater than 99.5%.
Argon is also used to exclude oxygen and may also contain only
very small amounts of oxygen as an impurity. However, the relative
volatility of argon to oxygen is about 1.1 at the top of the Argon Col-
umn and so it is not practical to remove all the oxygen by distillation.
The expected purity is about 98%. The argon product is further
treated by catalytic deoxygenation where the remaining oxygen is
burned with hydrogen. This process is not simulated here.
Methods
and Data
The importance of accurate thermodynamic calculations for this
simulation cannot be overemphasized. The product purities are
specified in terms of parts per million and temperature differences
are only a few degrees. Any inaccuracies in the thermodynamic cal-
culations must, therefore, have a significant effect on the results.
The Soave-Redlich-Kwong equation of state is suitable for the equi-
librium, enthalpy and vapor density calculations for the components
in this simulation. Ideal liquid densities are used as they give better
results for these components than the default API method.
However, the boiling points of nitrogen and oxygen are only 13K
apart and those of nitrogen and argon are only separated by 3K. It
is therefore essential to use binary interaction parameters obtained
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A8-2 Ai r Separati on Pl ant PRO/II APPLICATION BRIEFS
J anuary 1995
near those conditions used in the process for each pair of compo-
nents in order to obtain an accurate simulation model.
This simulation uses separate interaction data for the high and low
pressure sections of the process. The low pressure nitrogen/argon
interaction parameter is taken from the literature. The nitrogen/oxy-
gen and the argon/oxygen interactions were obtained by regressing
literature data for the specific pressure range using the REGRESS
program. For the HP column, the nitrogen/argon interaction is as-
sumed to be ideal.
Si mul ati on
Model
The Simulation Flowsheet, shown in Figure A8.2, differs from the
process flowsheet in that it includes stream identifiers and shows the
way the simulation is solved.
Fi gure A8. 2: Si mul ati on Fl owsheet
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The calculation starts at the HP Column. After it is solved, the prod-
ucts are set to the pressures and liquid fractions for the LP Column
feeds and the LP and Argon Columns are solved along with the recy-
cle. After the recycle has converged, the E1E2 exchanger, HP Col-
umn condenser, LP Column reboiler and the Argon Column
condenser are calculated to ensure that there are no temperature
crossovers.
Input Data The simulation uses Metric units with temperatures in Kelvin and
pressures in atmospheres. The threshold limit for recycle conver-
gence is tightened to ensure that the small amount of nitrogen in the
recycle is checked when determining the convergence (Note 1). In
order to check the overall material balance, the PRINT MBAL option
instructs PRO/II to print out an overall balance over the flowsheet.
An initial estimate must be supplied for the return stream to the LP
Column from the Argon column because the argon product flowrate
is low compared to the return stream - about 4% of the feed.
Because the argon product purity is controlled by the operation of
the LP Column, a recovery specification is used on the Argon Col-
umn. A third of the argon in the feed is typically recovered overhead
and the condenser duty can be varied in order to meet this. The ex-
pected argon product purity is in the region of 98%.
Once the distillation columns have been solved, the exchangers be-
tween the HP and LP Columns can be calculated. The simulation
flowsheet is shown in Figure A8.2. The exchangers E1 and E2 are
combined into the LNGHX unit E1E2.
Exchangers E3 and E4 are the Argon and HP Column condensers. The
streams AV1 and HPV are created from the vapor flow into the condens-
ers using the TFLOW statement. LPL is created from the liquid flow into
the LP Column reboiler which is the other side of the HP Column con-
denser. These exchangers are modeled in order to enable PRO/II to
check that the temperature levels are correct - i.e. there are no cross-
overs.
The duty on the first stream in exchanger E1E2 is set equal to that
calculated in E1 when setting the LP Column feed condition. The
duty on the second stream in E1E2 is defined as the duty of E2 mi-
nus the duty of the Argon Column condenser. The condenser duty
is actually negative so it is added to the E2 duty on the DEFINE
statement to give the cooling duty in E1E2 (Note 2).
The duties of E3 and E4 are simply defined as the same as that of
the corresponding column condenser. If temperature crossovers oc-
cur, PRO/II will automatically print an error message.
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Input Data Fi l e
TITLE PROBLEM=A8,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=JAN 95
DIME METRIC,TEMP=K,PRES=ATM
PRINT MBAL,STREAM=PART,RATE=M,FRAC=M
TOLERANCE STREAM=,,1.0E-5 $NOTE 1
COMPONENT DATA
LIBID 1,NITROGEN/2,ARGON/3,OXYGEN
THERMODYNAMIC DATA
$ Low pressure data
METHOD SYSTEM=SRK,DENS(L)=IDEAL,SET=1,DEFAULT
KVAL(VLE)
SRK 1,3,-0.00694/&
1,2,0.0056/&
2,3,0.01574
$ High pressure data
METHOD SYSTEM=SRK,DENS(L)=IDEA,SET 2
KVAL(VLE)
SRK 1,3,-0.01089/&
1,2,0.0/&
2,3,0.01697
STREAM DATA
PROP STRM=1,TEMP=278,PRES=6,RATE=9386,COMP=78.11/0.93/20.96
$ RECYCLE FROM ARGON COLUMN - INITIAL ESTIMATE
PROP STRM=16,PHASE=L,PRES=1.32,COMP=0.0/10/90,RATE=1800
NAME 1,AIR FEED/8,HP BTMS/12,HP OVHD/15,ARG FEED/&
16,ARG BTMS/17,AR PRODUCT/20,N2 PRODUCT/23,O2 GAS/&
21,O2 LIQUID
UNIT OPERATIONS
$ ************** Column Section **************
SPLITTER UID=SPL1,NAME=FEED SPLIT
FEED 1
PROD M=2,M=3
SPEC STRM=3,RATE,RATIO,STRM=1,VALUE=0.1
METHOD SET=2
FLASH UID=DEW
FEED 2
PROD V=5
DEW DP=0
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HX UID=DTAD
HOT FEED=3,M=7,DP=4.6
OPER HDTAD=5
COLUMN UID=HP,NAME=HP COLUMN
PARA TRAY=44
FEED 5,44
TFLOW NET(V)=HPV,2
PSPEC TOP=5.8,DPCOL=.16
COND TYPE=BUBBLE
HEAT 1,1
ESTI REFLUX=5500,MODEL=CONV
SPEC STREAM=12,COMP=3,PPM,VALUE=10
VARI HEAT=1
METHOD SET=2
HX UID=E1
OPER HLFR=.9
HX UID=E2
OPER HLFR=.45
COLUMN UID=LP,NAME=LP COLUMN
PARA TRAY=69
FEED 14,1/11,28/7,32/16,45
TFLOW NET(L)=LPL,68
PROD OVHD=18,7800,BTMS=21,VDRAW=22,69,1800/15,44,1875
HEAT 1,69,8
ESTI REFLUX=3500 MODEL=CONV
SPEC DUTY(1) RATIO COLUMN=HP DUTY(1) VALUE=-1
SPEC STREAM=18,COMP=3,PPM,VALUE=10
VARIABLES HEAT=1,DRAW=22
PLOT PROFILE,XCOMP=1,1/2,2/3,3,YCOMP=1,1/2,2/3,3
METHOD SET=1
COLUMN UID=ARG,NAME=ARGON COLUMN
PARA TRAY=55
FEED 15,55
TFLOW NET(V)=AV1,2
HEAT 1,1,-3
PRINT PROP=BRIEF
ESTI REFLUX=1500,MODEL=CONV
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COND TYPE=PARTIAL
SPEC STRE=17,COMP=2,RATE,RATIO,STRE=15,VALUE=0.3333
VARI HEAT=1
METHOD SET=1
$ ************* Inter-column Heat Exchangers *************
LNGHX UID=E1E2
HOT FEED=12,M=13
HOT FEED=8,M=9
COLD FEED=18,M=19
DEFINE DUTY(1) AS 1.0000 MULTIPLY HX=E1 DUTY
DEFINE DUTY(2) AS HX=E2 DUTY PLUS COLU=ARG DUTY(1) $NOTE 2
VALVE UID=V2
FEED 9
PROD M=10
OPER DP=4.55
HX UID=E3,NAME=AR CONDENSER
COLD FEED=10,M=11A
HOT FEED=AV1,L=AL1
DEFINE DUTY AS -1.0000 MULTIPLY COLU=ARG DUTY(1)
HX UID=E4,NAME=HP CONDENSER $ .. AND LP REBOILER
COLD FEED=LPL,M=LPL1
HOT FEED=HPV,L=HPV1
DEFINE DUTY AS -1.0000 MULTIPLY COLU=HP DUTY(1)
END
Resul ts The HP Column solves with a condenser duty of 10.46GCal/hr. The
overhead product is 99.83% nitrogen with the remainder mostly ar-
gon. The LP Column reboiler duty is the same as that of the HP Col-
umn condenser. The nitrogen product contains slightly more argon
than the HP Column product and is 99.72% pure. The oxygen con-
tent is the same in both column products at the 10ppm which was
specified.
7.6% of the oxygen is produced as liquid. The purity of the liquid
and gas products are 99.7% and 99.6% respectively. These are
both above the desired value of 99.5%.
The argon product is 97.6% pure with 1.8% oxygen and 0.6% nitro-
gen. The product rate is 3.2% of the feed from the LP Column. The
condenser duty is 2.96GCal/hr.
All the exchangers solve correctly which confirms that there are no
temperature crossovers. The nitrogen into the HP Column con-
denser is at a temperature of 96.2K and the oxygen into the LP Col-
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umn reboiler is at 94.8K. Because the streams are changing phase,
there is very little temperature change through the exchanger.
The argon entering the Argon Column condenser is at 88.9K and is
exchanging with the LP Column oxygen product. This oxygen
stream is heated from 84.0K to 85.5K within the condenser.
The nitrogen product from the LP Column is heated from 79.1K to
96.3K in the LNGHX unit E1E2.
Concl usi ons The base case model successfully simulates the current perform-
ance. The amount of liquid oxygen is not specified directly but is de-
termined by the overall heat balance of the system. The additional
cooling required for more liquid product will require reducing the en-
thalpy of the column feeds.
These studies can now be carried out to investigate the feasibility of
more liquid products.
Output Selected PRO/II output is shown below. This shows the overall
mass balance, the condenser/reboiler between the HP and LP col-
umns and the intercolumn LNG exchanger output.
The summary output is shown for the LP Column. The concentra-
tion plot shows that the argon product is drawn from the LP Column
where the argon concentration is at its maximum.
Finally, the stream component molar fractions are shown for all the
streams in the flowsheet, including the column pseudo-product
streams.
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Pl ant Materi al Bal ance
PLANT MATERIAL BALANCE JAN95
==========================================================================
FEED STREAMS: 1 8 12
HPV LPL AVI
PRODUCT STREAMS: 17 21 22
13 19 AL1
11A HPV1 LPL1
-------------------------------- KG-MOL/HR -------------------------------- PERCENT
----------------------------------------- ----------------- ---------------- -------------------- ----------------- ----------------
1 NITROGEN 22946.725 0.000 22946.723 0.000 0.00
2 ARGON 2124.945 0.000 2124.991 -0.046 0.00
3 OXYGEN 10367.434 0.000 10367.357 0.076 0.00
TOTAL 35439.102 0.000 35439.070 0.031 0.00
-------------------------------- KG-MOL/HR -------------------------------- PERCENT
----------------------------------------- ----------------- ---------------- -------------------- ----------------- ----------------
1 NITROGEN 642806.63 0.00 642806.56 0.00 0.00
2 ARGON 84887.28 0.00 84889.12 -1.84 0.00
3 OXYGEN 331747.53 0.00 331745.09 2.44 0.00
TOTAL 1.059E+06 0.00 1.059E+06 0.63 0.00
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HP Condenser/LP Reboi l er
UNIT 12, E4, HP CONDENSER


LMTD, K 1.479
F FACTOR (FT) 1.000
MTD, K 1.479
U*A, KCAL/HR-C 7076445.500

----------------- ----------------
FEED HPV
LIQUID PRODUCT HPV1
VAPOR, KG-MOL/HR 9029.246
K*KG/HR 253.123
CP, KCAL/KG-K 0.301
LIQUID, KG-MOL/HR 9029.246
K*KG/HR 253.123
CP, KCAL/KG-K 0.580
TOTAL, KG-MOL/HR 9029.246 9029.246
K*KG/HR 253.123 253.123
CONDENSATION, KG-MOL/HR 9029.246
TEMPERATURE, K 96.261 96.246
PRESSURE, ATM 5.800 5.800

----------------- ----------------
FEED LPL
MIXED PRODUCT LPL1
VAPOR, KG-MOL/HR 6469.197
K*KG/HR 207.233
CP, KCAL/KG-K 0.226
LIQUID, KG-MOL/HR 6618.630 149.433
K*KG/HR 212.018 4.785
CP, KCAL/KG-K 0.420 0.420
TOTAL, KG-MOL/HR 6618.630 6618.630
K*KG/HR 212.018 212.018
VAPORIZATION, KG-MOL/HR 6469.197

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LNG Heat Exchanger
UNIT 9, E1E2

OPERATING CONDITIONS OVERALL
-------------

HOT SIDE CONDITIONS

FEEDS 12 8
PRODUCTS LIQUID 13 9

TOTAL, KG-MOL/HR 3865.514 4581.878
KG/HR 108364.734 136267.203
INLET CONDITIONS
TEMP, K 96.249 100.725
PRESS, ATM 5.800 5.956
L/F 1.0000 1.0000
OUTLET CONDITIONS
QUANTITY SPECIFIED DUTY DUTY
TEMP, K 88.521 93.887
PRESS, ATM 5.800 5.956
L/F 1.0000 1.0000

CONDENSATION,KG-MOL/HR 0.000 0.000
DUTY, M*KCAL/HR -0.4640 -0.4531

COLD SIDE CONDITIONS

FEEDS 18
PRODUCTS VAPOR 19

TOTAL, KG-MOL/HR 7351.930
KG/HR 206198.281
INLET CONDITIONS
TEMP, K 79.107
PRESS, ATM 1.170
L/F 0.0000
OUTLET CONDITIONS
QUANTITY SPECIFIED N/A
TEMP, K 96.299
PRESS, ATM 1.170
L/F 0.0000

VAPORIZATION,KG-MOL/HR 0.000
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LP Col umn Summary
UNIT 7, LP, LP COLUMN


IN/OUT METHOD 19

COLUMN SUMMARY

-------------------- NET FLOW RATES ----------------- HEATER
DEG K ATM KG-MOL/HR M*KCAL/HR
------------ ------------- ---------------- ---------------- ------------- ---------------- ----------------- ----------------
1 79.1 1.17 3466.7 3865.5M 7351.9V
2 79.2 1.18 3463.8 6953.1
3 79.3 1.18 3460.4 6950.2
4 79.3 1.19 3456.5 6946.8
5 79.4 1.19 3451.9 6942.9
6 79.5 1.20 3446.5 6938.3
7 79.6 1.21 3440.3 6932.9
8 79.7 1.21 3433.2 6926.7
9 79.9 1.22 3424.9 6919.6
10 80.0 1.22 3415.3 6911.3
11 80.2 1.23 3404.2 6901.7
12 80.3 1.24 3391.3 6890.6
13 80.5 1.24 3376.2 6877.7
14 80.7 1.25 3358.5 6862.6
15 80.9 1.25 3338.0 6844.9
16 81.2 1.26 3314.4 6824.5
17 81.5 1.27 3287.5 6800.8
18 81.8 1.27 3257.6 6773.9
19 82.2 1.28 3225.1 6744.0
20 82.6 1.28 3191.2 6711.5
21 83.0 1.29 3157.0 6677.6
22 83.4 1.29 3124.4 6643.5
23 83.7 1.30 3094.9 6610.9
24 84.1 1.31 3069.7 6581.4
25 84.4 1.31 3049.4 6556.2
26 84.6 1.32 3033.7 6535.8
27 84.8 1.32 3022.2 6520.1
28 85.0 1.33 5062.4 6508.6 4581.9M
29 85.2 1.34 5054.0 3966.9
30 85.4 1.34 5041.1 3958.5
31 85.6 1.35 5022.6 3945.7
32 86.0 1.35 4976.2 3927.1 938.6V
33 87.1 1.36 4916.0 2942.1
34 88.5 1.37 4854.2 2881.9
35 90.1 1.37 4810.8 2820.2
36 91.4 1.38 4789.1 2776.7
37 92.2 1.38 4780.6 2755.1
38 92.7 1.39 4777.8 2746.5
39 93.0 1.40 4777.2 2743.7
40 93.1 1.40 4777.3 2743.1

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LP Col umn Summary, cont d.

UNIT 7, LP, LP COLUMN (CONT)

-------------------- NET FLOW RATES ----------------- HEATER
DEG K ATM KG-MOL/HR M*KCAL/HR
------------ ------------- ---------------- ---------------- ------------- ---------------- ----------------- ----------------
41 93.2 1.41 4777.7 2743.3
42 93.3 1.41 4778.2 2743.7
43 93.4 1.42 4778.5 2744.1
44 93.5 1.43 4778.3 2744.4 1875.0V
45 93.5 1.43 6606.3 4619.3 1815.5L
46 93.6 1.44 6606.6 4631.7
47 93.6 1.44 6607.0 4632.1
48 93.7 1.45 6607.4 4632.5
49 93.7 1.46 6607.8 4632.9
50 93.8 1.46 6608.1 4633.2
51 93.9 1.47 6608.5 4633.6
52 93.9 1.47 6608.8 4633.9
53 94.0 1.48 6609.2 4634.3
54 94.0 1.48 6609.6 4634.7
55 94.1 1.49 6610.0 4635.1
56 94.1 1.50 6610.5 4635.5
57 94.2 1.50 6610.9 4635.9
58 94.3 1.51 6611.4 4636.4
59 94.3 1.51 6612.0 4636.9
60 94.4 1.52 6612.5 4637.5
61 94.4 1.53 6613.2 4638.0
62 94.5 1.53 6613.8 4638.6
63 94.5 1.54 6614.5 4639.3
64 94.6 1.54 6615.3 4640.0
65 94.6 1.55 6616.0 4640.7
66 94.7 1.56 6616.9 4641.5
67 94.7 1.56 6617.7 4642.3
68 94.8 1.57 6618.6 4643.2
69R 94.8 1.57 4644.1 1824.2V 10.4639
150.3L


TRAY TRAY FRAC KG-MOL/HR M*KCAL/HR
-------- -------------------- --------- --------- -------- ------------- -------------------- --------------------
FEED 14 MIXED 1 0.8978 3865.51 -15.3966
FEED 11 MIXED 28 0.4467 4581.88 -14.4043
FEED 7 VAPOR 32 0.0000 938.60 -2.3967
FEED 16 LIQUID 45 1.0000 1815.47 -6.6109
PROD 18 VAPOR 1 7351.93 -20.3422
PROD 15 VAPOR 44 1875.00 -3.7500
PROD 22 VAPOR 69 1824.17 -3.7038
PROD 21 LIQUID 69 150.35 -0.5485

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UNIT 7, LP, LP COLUMN (CONT)

PSEUDO PRODUCT STREAMS

TRAY TRAY FRAC KG-MOL/HR M*KCAL/HR
-------- -------------------- --------- --------- -------- ------------- -------------------- --------------------
NET LPL LIQUID 68 6618.63 -24.1457

OVERALL MOLE BALANCE,(FEEDS - PRODUCTS) 1.0407E-02

SPECIFICATIONS

------------------------- -------- ------------ ------------------------- -------------------- --------------------
UNIT LP 69 DUTY -1.000E+00 -1.000E+00
STRM 18 1 3 MOL PPM 1.000E+01 1.000E+01
STRM 15 44 1- 3 MOL RATE 1.875E+03 1.875E+03

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LP Col umn Pl ot
UUNIT 7, LP, LP COLUMN (CONT.)

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Stream Component Fracti ons

STREAM ID AL1 AV1 HPV HPV1
NAME

FLUID MOLAR FRACTIONS
1 NITROGEN 1.8025E-03 1.8025E-03 0.9983 0.9983
2 ARGON 0.9779 0.9779 1.7327E-03 1.7327E-03
3 OXYGEN 0.0203 0.0203 1.0000E-05 1.0000E-05


TEMPERATURE, K 88.9202 88.9513 96.2609 96.2463
PRESSURE, ATM 1.1500 1.1500 5.8000 5.8000
ENTHALPY, M*KCAL/HR -6.1628 -3.2042 -24.4163 -34.8803
MOLE FRAC VAPOR 0.0304 1.0000 1.0000 0.0000
MOLE FRAC LIQUID 0.9696 0.0000 0.0000 1.0000

STREAM ID LPL LPL1 1 2
NAME AIR FEED
PHASE LIQUID MIXED VAPOR VAPOR

1 NITROGEN 2.3761E-15 2.3761E-15 0.7811 0.7811
2 ARGON 4.3396E-03 4.3396E-03 9.3000E-03 9.3000E-03
3 OXYGEN 0.9957 0.9957 0.2096 0.2096


TEMPERATURE, K 94.7707 94.7791 278.0000 278.0000
PRESSURE, ATM 1.5681 1.5681 6.0000 6.0000
MOLE FRAC VAPOR 0.0000 0.9774 1.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0226 0.0000 0.0000
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Stream Component Fracti ons, cont d.

STREAM ID 3 5 7 8
NAME HP BTMS
PHASE VAPOR VAPOR VAPOR LIQUID

1 NITROGEN 0.7811 0.7811 0.7811 0.5979
2 ARGON 9.3000E-03 9.3000E-03 9.3000E-03 0.0157
3 OXYGEN 0.2096 0.2096 0.2096 0.3864


TEMPERATURE, K 278.0000 100.7878 89.7869 100.7251
PRESSURE, ATM 6.0000 6.0000 1.4000 5.9563
MOLE FRAC VAPOR 1.0000 1.0000 1.0000 0.0000
MOLE FRAC LIQUID 0.0000 0.0000 0.0000 1.0000

STREAM ID 9 10 11 11A
NAME
PHASE LIQUID MIXED MIXED MIXED

1 NITROGEN 0.5979 0.5979 0.5979 0.5979
2 ARGON 0.0157 0.0157 0.0157 0.0157
3 OXYGEN 0.3864 0.3864 0.3864 0.3864


TEMPERATURE, K 93.8870 84.0366 85.5198 85.5199
PRESSURE, ATM 5.9563 1.4063 1.4063 1.4063
MOLE FRAC VAPOR 0.0000 0.1025 0.5500 0.5500
MOLE FRAC LIQUID 1.0000 0.8975 0.4500 0.4500

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Stream Component Fracti ons, cont d.

STREAM ID 12 13 14 15
NAME HP OVHD ARG FEED
PHASE LIQUID LIQUID MIXED VAPOR

1 NITROGEN 0.9983 0.9983 0.9983 2.4847E-04
2 ARGON 1.7327E-03 1.7327E-03 1.7327E-03 0.0929
3 OXYGEN 1.0000E-05 1.0000E-05 1.0000E-05 0.9068


TEMPERATURE, K 96.2485 88.5212 79.3031 93.4546
PRESSURE, ATM 5.8000 5.8000 1.2000 1.4255
MOLE FRAC VAPOR 0.0000 0.0000 0.1000 1.0000
MOLE FRAC LIQUID 1.0000 1.0000 0.9000 0.0000

STREAM ID 16 17 18 19
NAME ARG BTMS AR PRODUCT

1 NITROGEN 6.3521E-05 5.8896E-03 0.9972 0.9972
2 ARGON 0.0640 0.9755 2.8307E-03 2.8307E-03
3 OXYGEN 0.9360 0.0186 1.0000E-05 1.0000E-05


TEMPERATURE, K 92.6458 88.9202 79.1066 96.2990
PRESSURE, ATM 1.3169 1.1500 1.1700 1.1700
MOLE FRAC VAPOR 0.0000 1.0000 1.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0000 0.0000 0.0000
STREAM ID 21 22
NAME O2 LIQUID
PHASE LIQUID VAPOR

1 NITROGEN 6.2492E-16 2.4168E-15
2 ARGON 2.8759E-03 4.3736E-03
3 OXYGEN 0.9971 0.9956


ENTHALPY, M*KCAL/HR -0.5485 -3.7038
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p-XYLENE
CRYSTALLIZATION
p-xylene is separated from a xylene stream by crystallization. You must demonstrate
via simulation, the process requirements to achieve 65% p-xylene recovery at 95%
(by weight) purity.
Process
Data
This crystallization process is shown in Figure S1.1 and is based on the work of
Haines, Powers and Bennet
1
. The feed to the process is given in Table S1.1. The
flowsheet contains two crystallization stages with associated auxiliary separation
equipment. A concentrated p-xylene liquor is recycled from the second unit back to
the first unit. The final crystalline product contains 95 % p-xylene.
1 Haines, H. W., J. M. Powers, and R. B. Bennett, p-Xylene from Petroleum, Ind.
& Eng. Chem., vol. 47, no. 6, pg. 1096 (1955).
Figure S1.1
p-Xylene Crystallization Process
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PRO/II APPLICATION BRIEFS p-XYLENE CRYSTALLIZATION S1-1
February 1992
Table S1.1
Component
lb/hr
Toluene 2040
p-xylene 5372
m-xylene 13464
o-xylene 6800
Ethylbenzene 6324
Temperature (F) 75
Pressure (psia) 20
The mixed xylene feed is interchanged with the mother liquor from the first crystal-
lization section. The cooled feed is then sent into a scraped surface heat exchanger
chilled with ethylene to -95 F. For the purpose of simulation, the scraped surface
exchanger is separated into an exchanger(FCO1) and crystallizer unit(CR1). The
mother liquor is then sent into a centrifuge(CEN1) to separate the mother liquor from
the crystalline product. The mother liquor is recycled to cool down the feed. The
crystal product is dissolved and sent to the second stage cooler, chilled with propane
to 0 F and sent to the second stage crystallizer. The crystal slurry is separated in
the second centrifuge where the mother liquor is recycled back to the feed and the
final crystal product is sent to a dissolver.
Methods
and Data
All component data used in the simulation, including solid data, are obtained from
the SimSci pure component library. The ATTRIBUTES statement in the Component
Data Category defines 10 partial size intervals for the p-xylene ranging from 0 to
10000 microns.
ATTRIBUTES COMP=2, PSD(MIC)=0., 10., 25., 50., 75., 100., 250., &
500., 1000., 5000., 10000.
This system is essentially a mixture of chemically similar aromatic components (toluene,
ethylbenzene, p-xylene, o-xylene and m-xylene) that form an ideal solution in the liquid
phase. The VLE for these components can be approximated using Raoults Law. This
is selected by choosing SYST=IDEAL on the METHODS statement.
The vant Hoff (ideal solubility) method
2
is selected in the Thermodynamic Data
Category to describe solid liquid equilibrium, and matches well with experimented
data. Transport properties used in most of the solids unit operation models are
available in the pure component library for all the components in this simulation and
are obtained from the library.
2 vant Hoff, J. M., Z. Physik. Chem., 1, pg. 481 (1987).
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S1-2 p-XYLENE CRYSTALLIZATION PRO/II APPLICATION BRIEFS
February 1992
Simulation
Model
The simulation flowsheet is represented in Figure S1.2. The first crystallization
stage is explained in detail to demonstrate some of PRO/IIs solids capabilities. The
second stage is nearly identical to the first stage with the exception of the final melt
unit described below.
The crystallization unit is a scraped surface type. To simulate this type of unit, the
feed to the crystallizer is first cooled in the ethylene chiller and then sent to the
crystallization unit.
The crystallizer unit CR1 is rated at 1500 gallons. The crystallizer volume is
calculated to achieve this specification. The operating conditions are -95F and O.
pressure drop. Slurry recirculation is not used in this process, but could have been
specified if desired. Growth rates and nucleation kinetic constants data are obtained
from literature sources.
The filtering centrifuge unit (CEN1) separates the crystallizer effluent into filtrate and
crystal product. The centrifuge performance is adjusted to achieve the desired liquid
rate of 963 pounds per hour in the cake with the use of controller (CON1).
The dissolver unit is used to dissolve the p-xylene crystals back into solution for
transport to the next unit. The solvent component selected is ethylbenzene, but in
reality the entire mixture acts as a solvent. The dissolver unit is designed to dissolve
all the feed p-xylene at an operating temperature of 75 F.
A melter unit is used for the final crystal product exiting centrifuge number 2. The
unit is operated at 75 F and completely melts all p-xylene product into solution.
Figure S1.2
Simulation Model
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Input Data The following is a complete input file for the p-xylene crystallization process.
Input Data File
TITLE PROJECT=APPBRIEFS, PROBLEM=S1, USER=SIMSCI, DATE=JAN 91
DESCRIPTION HUMBLE P-XYLENE CRYSTALLIZATION PROCESS
DIMENSION ENGLISH, XDENSITY=DENSITY, FLENGTH=MIC
PRINT STREAM=COMP, RATE=W, FRACTION=M,W, MBAL
COMPONENT DATA
LIBID 1,TOLU / 2,PXYLENE / 3,MXYLENE / 4,OXYLENE / 5,EBZN/ &
6,ETLN/7,C3, BANK=SIMSCI
ATTR COMP=2, PSD(MIC)=0., 10., 25., 50., 75., 100., 250., &
500., 1000., 5000., 10000.
THERMODYNAMIC DATA
METHOD SYSTEM=IDEAL, KVAL(SLE)=VANT, TRANSPORT=LIBRARY
STREAM DATA
PROP STREAM=1, TEMP=75.0, PRES=20., RATE(W)=34000., &
COMP(W)=6./15.8/39.6/20./18.6
$ INITIAL ESTIMATE FOR RECYCLE STREAMS
PROP STREAM=14, TEMP=-95.0, PRES=66., RATE(W)=31000., &
COMP(W)=6.5/9.0/42.8/21.6/20.1
PROP STREAM=17, TEMP=1.0, PRES=65., RATE(W)=2000., &
COMP(W)=4.1/42.8/26.9/13.6/12.6
UNIT OPERATIONS
HX UID=FHX, NAME=EXCHANGER
HOT FEED=1, 17, M=2, DP=2
COLD FEED=14, M=15, DP=2
OPERATION HTEMP=-35.
CONFIG U=150.
HX UID=FCO1, NAME=COOLER1
UTILITY REFRIGERANT=6, TSAT=-150.
OPERATION HTEMP=-95.
CONFIG U=150.
CRYSTALLIZER UID=CR1, NAME=CRYSTAL1
FEED 3
PROD OVHD=OVH1, BTMS=4
PRINT CSD
RATING VOLUME(GAL)=1500.
CCALC SHAPE=1.0
OPERATION SOLU=2, SOLV=1, TEMP=-95.0, DP=0.
GROWTH KG=1.E-07, GEXP=0.2
NUCLEATION KB=8.E+13
FCENTRIFUGE UID=CEN1, NAME=CENTRIFUGE1
FEED 4
PRODUCT FILTRATE=13, CAKE=5
RATING DIAMETER=3., RPM=1000.
CONTROL UID=CON1, NAME=CONTROLCEN1
SPEC STREAM=5, RATE(W), PHASE=L, VALUE=963., ATOL=0.1
VARY FCENTRIFUGE=CEN1, DIAMETER
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PUMP UID=P1, NAME=PUMP1
FEED 13
PRODUCT L=14
OPERATION DP=50.
DISSOLVER UID=DIS1, NAME=DISSOLVER
FEED 5
PRODUCT OVHD=OVH2, BTMS=6
PRINT CSD
OPERATION SOLUTE=2, SOLVENT=5, TEMP=75., DP=0.
DESIGN DFRAC=1.0
HX UID=FCO2, NAME=COOLER2
UTILITY REFRIGERANT=7, TSAT=-40.
OPERATION HTEMP=0.
CONFIG U=150.
CRYSTALLIZER UID=CR2, NAME=CRYSTAL2
FEED 7
PROD OVHD=OVH3, BTMS=8
PRINT CSD
RATING VOLUME=200
CCALC SHAPE=1.0
OPERATION SOLU=2, SOLV=1, TEMP=0.0, DP=0
GROWTH KG=1.E-07, GEXP=0.2
NUCLEATION KB=8.E+13
FCENTRIFUGE UID=CEN2, NAME=CENTRIFUGE2
FEED 8
PRODUCT FILTRATE=16, CAKE=9
RATING DIAMETER=2., RPM=1000.
CONTROL UID=CON2, NAME=CONTROLCEN2
SPEC STREAM=9, FRACTION(W), COMP=2, VALUE=0.95, ATOL=0.0002
VARY FCENTRIFUGE=CEN2, DIAMETER
PUMP UID=P2, NAME=PUMP2
FEED 16
PRODUCT L=17
OPERATION DP=50.
MELTER UID=DIS2, NAME=MELT
FEED 9
PRODUCT L=10
OPERATION TEMP=75, DP=0.
RECYCLE
ACCELERATION TYPE=WEGS
END
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Result The product specifications of 95 weight percent p-xylene purity and 65% recovery
are met, as shown in the stream output. The recycle stream has a flowrate of 1222
pounds per hour and 43 weight percent p-xylene.
Output Selected PRO/II output is shown below. Output selected highlight solids
capabilities.
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Unit 4, CEN1, Centrifuge1
FEEDS 4
PRODUCTS LIQUID 13
MIXED 5
TYPE OF OPERATION RATING
AVERAGE PARTICLE DIAMETER, MIC 52.3251
AVERAGE SOLID DENSITY, LB/FT3 62.8024
TOTAL SOLID FEED MASS FLOW RATE, LB/HR 3981.4330
SURFACE TENSION, DYNE/CM 39.7656
VOLUME FLOW RATE OF FILTRATE, FT3/HR 515.8018
PARTICLE SPHERICITY 0.7500
PHYSICAL CONFIGURATION
BOWL DIAMETER, FT 1.8032
RADIUS OF LIQUID SURFACE / RADIUS OF BOWL 0.7380
RADIUS OF CAKE / RADIUS OF BOWL 0.7900
HEIGHT OF BOWL / RADIUS OF BOWL 0.9545
RPM 1000.0000
BASKET HEIGHT, FT 0.8606
SELECTED BOWL RADIUS, FT 0.9016
CENTRIFUGE TYPE NOT SPECIFIED
CAKE PROPERTIES
MASS FRACTION OF SOLID IN CAKE 0.8232
CAKE THICKNESS, MIC 5.771E+04
CAKE RESISTANCE, FT/LB 2.976E+06
FILTER MEDIUM RESISTANCE, 1/FT 6.096E+05
POROSITY OF CAKE 0.4500
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Unit 7, DIS1, Dissolver
FEEDS 5
PRODUCTS LIQUID 6
FEED TEMPERATURE, F -95.00
DISSOLVER TEMPERATURE, F 75.00
TEMPERATURE CHANGE ACROSS DISSOLVER, F 170.00
PRESSURE DROP, PSIA 0.00
DISSOLVER DATA
VOLUME, FT3 676.6918
RESIDENCE TIME, HR 7.3975
CRYSTAL DISSOLUTION RATE, LB/HR 3981.433
WT FRACTION OF CRYSTALS DISSOLVED 1.000
SLURRY PROPERTIES
CRYSTAL COMPONENT 2 PXYLENE
MOTHER LIQUOR DENSITY, LB/FT3 54.051
PRODUCT STREAM MAGMA DENSITY, LB/FT3 0.000
VOL FRAC OF LIQ IN FEED SLURRY 0.205
VOL FRAC OF LIQ IN PRODUCT SLURRY 1.000
FEED SLURRY VOLUMETRIC RATE, FT3/HR 79.783
PRODUCT SLURRY VOLUMETRIC RATE, FT3/HR 91.476
PARTICLE SIZE DISTRIBUTION
-------- DISSOLUTION BY --------
------------ DIAMETER, MIC --------- ---- ------------ WT FRAC ------------ PARTICLE SIZE, MIC
RANGE AVERAGE FEED PRODUCT FEED PRODUCT
--------------------------------------------------------------------------------------------------------------------------------------------
0.000 - 10.00 5.000 0.0040 0.0000 5.000 0.000
10.00 - 25.00 17.50 0.1056 0.0000 17.50 0.000
25.00 - 50.00 37.50 0.4129 0.0000 37.50 0.000
50.00 - 75.00 62.50 0.3186 0.0000 62.50 0.000
75.00 - 100.0 87.50 0.1457 0.0000 87.50 0.000
100.0 - 250.0 175.0 0.0132 0.0000 175.0 0.000
250.0 - 500.0 375.0 0.0000 0.0000 375.0 0.000
0.500 - 1.000 E+03 0.750 E+03 0.0000 0.0000 750.0 0.000
1.000 - 5.000 E+03 3.000 E+03 0.0000 0.0000 3.000 E+03 0.000
5.000 - 10.00 E+03 7.500 E+03 0.0000 0.0000 7.500 E+03 0.000
MASS TRANSFER COEFFICIENT DATA
AKC, COEFFICIENT OF (1.0/D) 5.3173E-10
BKC, COEFFICIENT OF (1.0/D**0.1733) 7.4397E-06
DKC, CONSTANT COEFFICIENT PARTICLE SIZE 2.0000E-03
CONSTANT ZONE MASS TRANSFER COEFF, FT/SEC 7.2531E-05
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Unit 3, CR1, Crystal1
FEEDS 3
PRODUCTS MIXED 4
HEAT EXCHANGER DUTY, MM BTU/HR -0.2225
VOLUME, FT3 200.5203
RESIDENCE TIME, HR 0.3367
CRYSTAL PRODUCTION RATE, LB/HR 3981.433
TEMPERATURE CHANGE IN HEAT EXCHANGER, F N/A
SLURRY RECIRCULATION RATE, FT3/HR N/A
AGITATOR RPM 0.000
CRYSTALLIZER DATA
CRYSTAL COMPONENT 2 PXYLENE
SUPERSATURATION 7.6845E-03
CRYSTAL SHAPE FACTOR 1.000
SLURRY PROPERTIES
FEED SLURRY LIQUID VOLUME FRACTION 1.000
FEED SLURRY VOLUMETRIC RATE, FT3/HR 600.353
PRODUCT SLURRY LIQUID VOLUME FRACTION 0.894
PRODUCT SLURRY VOLUMETRIC RATE, FT3/HR 595.584
PRODUCT SLURRY MAGMA DENSITY, LB/FT3 6.685
KINETICS DATA
GROWTH RATE, FT/SEC 3.7768E-08
NUCLEATION RATE, NUMBER/HR/FT3 6.1476E+11
PARTICLE SIZE DISTRIBUTION
-------- NUMBER DENSITY --------
---------------- DIAMETER, MIC ---------------- ------------ WT FRAC ------------ /MIC/FT3
RANGE AVERAGE FEED PRODUCT FEED PRODUCT
----------------------------------------------------------------------------------------------------------------------------------------------------
0.000 - 10.00 5.000 0.0000 0.0040 0.0000E+00 9.2631E+09
10.00 - 25.00 17.50 0.0000 0.1056 0.0000E+00 3.7816E+09
25.00 - 50.00 37.50 0.0000 0.4129 0.0000E+00 9.0188E+08
50.00 - 75.00 62.50 0.0000 0.3186 0.0000E+00 1.5031E+08
75.00 - 100.0 87.50 0.0000 0.1457 0.0000E+00 2.5051E+07
100.0 - 250.0 175.0 0.0000 0.0132 0.0000E+00 4.7345E+04
250.0 - 500.0 375.0 0.0000 0.0000 0.0000E+00 2.8184E-02
0.500 - 1.000 E+03 0.750 E+03 0.0000 0.0000 0.0000E+00 5.9927E-14
1.000 - 5.000 E+03 3.000 E+03 0.0000 0.0000 0.0000E+00 0.0000E+00
5.000 - 10.00 E+03 7.500 E+03 0.0000 0.0000 0.0000E+00 0.0000E+00
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February 1992
Unit 13, DIS2, Melt
FEEDS 9
PRODUCTS LIQUID 10
MOLE FRAC MW SOLID 0.0000
MELTING/FREEZING DATA
DUTY NMP
COMPONENTS MELTED FRACTION MM BTU/HR F
---------------------------------------- -------------------- -------------------- ------------
2 PXYLENE 1.0000 0.2333 55.87
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Stream Output
STREAM ID 1 2 3 4
NAME
PHASE LIQUID LIQUID LIQUID MIXED
FLUID RATES, LB/HR
1 TOLU 2040.0000 2091.2290 2091.2290 2091.2290
2 PXYLENE 5372.0000 5908.3480 5908.3480 1926.9150
3 MXYLENE 13464.0000 13802.1100 13802.1100 13802.1100
4 OXYLENE 6800.0000 6970.7630 6970.7630 6970.7640
5 EBZN 6324.0000 6482.8100 6482.8100 6482.8100
6 ETLN 0.0000 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000 0.0000
TOTAL FLUID, LB/HR 34000.0000 35255.2600 35255.2600 31273.8300
MW SOLID RATES, LB/HR
1 TOLU 0.0000 0.0000 0.0000 0.0000
2 PXYLENE 0.0000 0.0000 0.0000 3981.4330
3 MXYLENE 0.0000 0.0000 0.0000 0.0000
4 OXYLENE 0.0000 0.0000 0.0000 0.0000
5 EBZN 0.0000 0.0000 0.0000 0.0000
6 ETLN 0.0000 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000 0.0000
TOTAL MW SOLID, LB/HR 0.0000 0.0000 0.0000 3981.4330
TOTAL RATE, LB/HR 34000.0000 35255.2600 35255.2600 35255.2600
TEMPERATURE, F 75.0000 -35.0000 -95.0000 -95.0000
PRESSURE, PSIA 20.0000 18.0000 16.0000 16.0000
ENTHALPY, MM BTU/HR 0.5890 -0.9163 -1.7134 -1.9359
WEIGHT FRAC MW SOLID 0.0000 0.0000 0.0000 0.1129
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February 1992
Stream Output, contd
STREAM ID 5 6 7 8
NAME
PHASE MIXED LIQUID LIQUID MIXED
FLUID RATES, LB/HR
1 TOLU 64.3915 64.3915 64.3915 64.3915
2 PXYLENE 59.3322 4040.7750 4040.7750 674.1552
3 MXYLENE 424.9840 424.9839 424.9839 424.9839
4 OXYLENE 214.6384 214.6384 214.6384 214.6384
5 EBZN 199.6137 199.6137 199.6137 199.6137
6 ETLN 0.0000 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000 0.0000
TOTAL FLUID, LB/HR 962.9598 4944.4030 4944.4030 1577.7830
1 TOLU 0.0000 0.0000 0.0000 0.0000
2 PXYLENE 3981.4330 0.0000 0.0000 3366.6200
3 MXYLENE 0.0000 0.0000 0.0000 0.0000
4 OXYLENE 0.0000 0.0000 0.0000 0.0000
5 EBZN 0.0000 0.0000 0.0000 0.0000
6 ETLN 0.0000 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000 0.0000
TOTAL RATE, LB/HR 4944.3930 4944.4030 4944.4030 4944.4030
TEMPERATURE, F -95.0000 75.0000 3.0817E-06 3.0817E-06
PRESSURE, PSIA 16.0000 16.0000 15.0000 15.0000
ENTHALPY, MM BTU/HR -0.4709 0.0847 -0.0633 -0.2851
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February 1992
Stream Output, contd.
STREAM ID 9 10 13 14
NAME
FLUID RATES, LB/HR
1 TOLU 13.1699 13.1699 2026.8380 2026.8380
2 PXYLENE 137.8836 3504.5040 1867.5820 1867.5820
3 MXYLENE 86.9212 86.9212 13377.1300 13377.1300
4 OXYLENE 43.8996 43.8996 6756.1250 6756.1250
5 EBZN 40.8266 40.8266 6283.1960 6283.1960
6 ETLN 0.0000 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000 0.0000
TOTAL FLUID, LB/HR 322.7009 3689.3210 30310.8700 30310.8700
1 TOLU 0.0000 0.0000 0.0000 0.0000
2 PXYLENE 3366.6200 0.0000 0.0000 0.0000
3 MXYLENE 0.0000 0.0000 0.0000 0.0000
4 OXYLENE 0.0000 0.0000 0.0000 0.0000
5 EBZN 0.0000 0.0000 0.0000 0.0000
6 ETLN 0.0000 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000 0.0000
TOTAL RATE, LB/HR 3689.3210 3689.3210 30310.8700 30310.8700
TEMPERATURE, F 3.0817E-06 75.0000 -95.0000 -94.3486
PRESSURE, PSIA 15.0000 15.0000 16.0000 66.0000
ENTHALPY, MM BTU/HR -0.2692 0.0630 -1.4650 -1.4577
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STREAM ID 15 16 17
NAME
FLUID RATES, LB/HR
1 TOLU 2026.8830 51.2216 51.2216
2 PXYLENE 1867.6280 536.2714 536.2714
3 MXYLENE 13377.4300 338.0627 338.0627
4 OXYLENE 6756.2770 170.7388 170.7388
5 EBZN 6283.3370 158.7871 158.7871
6 ETLN 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000
TOTAL FLUID, LB/HR 30311.5500 1255.0820 1255.0820
1 TOLU 0.0000 0.0000 0.0000
2 PXYLENE 0.0000 0.0000 0.0000
3 MXYLENE 0.0000 0.0000 0.0000
4 OXYLENE 0.0000 0.0000 0.0000
5 EBZN 0.0000 0.0000 0.0000
6 ETLN 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000
TOTAL MW SOLID, LB/HR 0.0000 0.0000 0.0000
TOTAL RATE, LB/HR 30311.5500 1255.0820 1255.0820
TEMPERATURE, F 34.6855 3.0817E-06 0.6503
PRESSURE, PSIA 64.0000 15.0000 65.0000
ENTHALPY, MM BTU/HR 0.0320 -0.0159 -0.0156
WEIGHT FRAC VAPOR 0.0000 0.0000 0.0000
WEIGHT FRAC LIQUID 1.0000 1.0000 1.0000
WEIGHT FRAC MW SOLID 0.0000 0.0000 0.0000
THE FOLLOWING ZERO-RATE STREAMS WERE NOT PRINTED
OVH1 OVH2 OVH3
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STREAM ID 4 5 6 8
NAME
PHASE MIXED MIXED LIQUID MIXED
2 PXYLENE
PSD, MIC
0.000 - 10.00 4.021E-03 4.021E-03 0.0000 2.407E-05
10.00 - 25.00 0.1056 0.1056 0.0000 1.223E-03
25.00 - 50.00 0.4129 0.4129 0.0000 0.0138
50.00 - 75.00 0.3186 0.3186 0.0000 0.0398
75.00 - 100.0 0.1457 0.1457 0.0000 0.0683
100.0 - 250.0 0.0132 0.0132 0.0000 0.6324
250.0 - 500.0 1.290E-07 1.290E-07 0.0000 0.2410
0.500 - 1.000 E+03 4.390E-18 4.390E-18 0.0000 3.334E-03
1.000 - 5.000 E+03 0.0000 0.0000 0.0000 7.123E-19
5.000 - 10.00 E+03 0.0000 0.0000 0.0000 0.0000
STREAM ID 9
NAME
PHASE MIXED
2 PXYLENE
PSD, MIC
0.000 - 10.00 2.407E-05
10.00 - 25.00 1.223E-03
25.00 - 50.00 0.0138
50.00 - 75.00 0.0398
75.00 - 100.0 0.0683
100.0 - 250.0 0.6324
250.0 - 500.0 0.2410
0.500 - 1.000 E+03 3.334E-03
1.000 - 5.000 E+03 7.123E-19
5.000 - 10.00 E+03 0.0000
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February 1992
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February 1992

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