Process Equipment

Dynamic Simulation
Suite

Process
Equipment

Invensys SimSci-Esscor
5760 Fleet Street, Suite 100,
Carlsbad, CA 92008

Dynsim 4.2 : Process Equipment
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Printed in the United States of America October 2006.

Contents
Base Equipment i

Table of Contents
TUIntroductionUT.................................................................................... 1
TULegacy ColumnUT .............................................................................. 2
TUIntroductionUT .................................................................................................... 2
TUFundamentalsUT ................................................................................................ 3
TUExampleUT ........................................................................................................ 14
TUData Entry Window UsageUT .......................................................................... 18
TUThe Column ViewerUT ..................................................................................... 33
TUParameter TableUT ........................................................................................... 34
TUCombustorUT ................................................................................... 51
TUIntroductionUT .................................................................................................. 51
TUFundamentalsUT .............................................................................................. 52
TUExamplesUT ...................................................................................................... 55
TUCompressorUT ................................................................................. 67
TUExampleUT ........................................................................................................ 76
TUFAQUT ............................................................................................................... 92
TUFired HeaterUT.................................................................................. 95
TUExampleUT ...................................................................................................... 106
TUData Entry Window UsageUT ........................................................................ 110
TUParameter TableUT ......................................................................................... 124
TUFAQUT ............................................................................................................. 133
TUMulti ExchangerUT ......................................................................... 134
TUIntroductionUT ................................................................................................ 134
TUFundamentalsUT ............................................................................................ 135
TUFAQUT ............................................................................................................. 155
TUPlug Flow ReactorUT ..................................................................... 157
TUExampleUT ...................................................................................................... 163
TUReaction DataUT............................................................................. 190
TUExamplesUT .................................................................................................... 195
Contents
Base Equipment ii

TUFAQUT ............................................................................................................. 228
TUReaction Data SetUT ...................................................................... 229
TUFAQUT ............................................................................................................. 233
TUReciprocating CompressorUT....................................................... 234
TUExampleUT ...................................................................................................... 237
TUFAQUT ............................................................................................................. 247
TURelief ValveUT ................................................................................ 248
TUMalfunctionsUT............................................................................................... 252
TUExamplesUT .................................................................................................... 253
TUFAQUT ............................................................................................................. 264
TUSeparatorUT .................................................................................... 265
TUExampleUT ...................................................................................................... 277
TUFAQUT ............................................................................................................. 311
TUShaftUT ........................................................................................... 312
TUExampleUT ...................................................................................................... 314
TUSlate ChangeUT .............................................................................. 322
TUExamplesUT .................................................................................................... 327
TUTankUT ............................................................................................ 343
TUExampleUT ...................................................................................................... 347
TUFAQUT ............................................................................................................. 372
Contents
Base Equipment iii

TUTowerUT .......................................................................................... 373
TUExampleUT ...................................................................................................... 383
TUThe Tower ViewerUT ...................................................................................... 401
TUFAQUT ............................................................................................................. 415
Introduction
Process Equipment Version 4.2, October 2006 1

Introduction

The Process Equipment library is an extension of the Base Equipment library. Process
Equipment library is intended for modeling of processes found in the upstream, refining,
petrochemical, and chemical industries. The process equipment models and base equipment
models may be used within the same flowsheet(s) with streams connecting the models together.

Please refer to the Base Equipment Fundamental section for information common to both Base
and Process Equipment libraries.
Column

Legacy Column

Introduction

Column is a pressure node that can be used to model distillation columns and fractionators. A
Column unit consists of a vapor holdup on the top for Column pressure calculation and multiple
tray submodels beneath.

A tray is a submodel that represents an equilibrium stage within a Column. A minimum of one
tray must be present in Column although a realistic Column will normally have a much higher
number of trays. The trays are linked with the vapor from the next lower tray and liquid from the
next higher tray. The trays are numbered starting at the top tray as number one and increasing as
you go down the Column. Each tray includes a liquid holdup to model the liquid inventory of the
tray.

Column uses a theoretical tray approach with an adjustment for liquid holdup based on the ratio
of actual trays to modeled trays that adjusts the liquid holdup on each tray.

Trays may also represent packed stages. For a packed stage, each tray represents a single
equilibrium stage. The height of the tray or stage should represent the height of a theoretical
packed transfer unit.

Reactions can also be connected. Though reactions typically occur with packed sections of a
column, reactions can be added to plate stages as well.

Multiple feeds and products can be connected to any tray, both plate and packed. Products from
trays are optional although the top tray should have a vapor product and the bottom tray should
have a liquid product. The tray submodel contains only one liquid holdup. Vapor from the tray
will directly go to the next higher tray or Column top vapor holdup if it is a top tray.

Column includes the cylindrical section of a distillation column only. All peripheral equipment
such as condensers, reboilers, accumulators, sidestrippers must be modeled with separate
equipment models.

Column base can be modeled as the bottom tray. Alternatively, a Drum or Separator model can
be used to model the Columns base. If the base has a partition for a thermo siphon reboiler, use
a vertical Separator with a weir orientation.

Column accounts for heat transfer from fluid to the metal and metal to surroundings. Column
permits heat transfer from external sources directly to the metal or fluid through heat streams that
can be connected to any trays liquid holdup.
Column

Fundamentals

Holdup Calculations

Column Vapor Holdup

Column vapor holdup calculation determines the top tray pressure. The vapor volume is
calculated based on the column configuration data unless user provides the data to overwrite. The
Column vapor holdup is modeled using compressible dynamic equations.

The differential equations for mass and energy balance are

T
T
T
Components
T
oduct
Streams
Feed
Streams
r r f f Tray Tray T
oduct
Streams
Feed
Streams
r r f f Tray Tray
M
U
U
VolVap
M
R
M M
H F H F Hv Fv U
dt
d
Z F Z F Y Fv M
dt
d
=
=
=
=
=

Pr
1 1
Pr
1 1

where:
FB
f
B - Forward flow (kg-mol/sec)
FB
r
B - Reverse flow (kg-mol/sec)
FvB
Tray1
B - Vapor flow from Tray1 (kg-mol/sec)
HB
f
B - Forward flow enthalpy (kJ/kg-mol)
HB
r
B - Reverse flow enthalpy (kJ/kg-mol)
HvB
Tray1
B - Vapor enthalpy from Tray1 (kJ/kg-mol)
MB
T
B - Total moles (kg-mol)
R - Holdup density in (kg-mol/mP
3
P)
U - Mole internal energy (kJ/kg-mol)
UB
T
B - Total holdup internal energy (kJ)
VolVap - Vapor holdup volume (mP
3
P)
ZB
f
B - Forward flow mole fraction component vector (fraction)
ZB
r
B - Reverse flow mole fraction component vector (fraction)
YB
Tray1
B - Tray 1 vapor mole fraction component vector (fraction)

Column

Vapor volume (VolVap) is calculated using the following equation, provided that the user does
not set this parameter.

=
NTray
tray
Dia WeirHeight Spacing VolVap
2
) (
4

where:
Dia - Tray internal diameter (m)
NTray - Number of trays
Spacing - The distance between two trays (m)
WeirHeight - Tray weir height (m)

Tray Liquid Holdup

The tray liquid holdup is modeled by using the following dynamic equations for mass and energy
balance.

( ) ( )
( ) ( )
T
T
Components
T
fh f imp Tray Tray TrayBelow TrayBelow Tray Tray
TrayAbove TrayAbove
oduct
Streams
r r f f
Feed
Streams
r r f f T
Tray Tray TrayBelow TrayBelow Tray Tray
oduct
Streams
TrayAbove TrayAbove r r f f
Feed
Streams
r r f f
M
H
H
M M
Q Q Q Hv Fv Hv Fv Hl Fl
Hl Fl H F H F H F H F H
dt
d
Y Fv y Fv x Fl
X Fl Z F Z F Z F Z F M
dt
d
=
=
+ + + +
+ =
+
+ =

Pr
Pr

where:
FB
f
B- Forward flow (kg-mol/sec)
FlB
Tray
B- Liquid flow from the tray (kg-mol/sec)
FlB
TrayAbove
B- Liquid flow from tray above (kg-mol/sec)
FB
r
B- Reverse flow (kg-mol/sec)
FvB
TrayBelow
B- Vapor flow from tray below (kg-mol/sec)
H - Mole enthalpy (kJ/kg-mol)
HB
f
B - Forward flow liquid enthalpy (kJ/kg-mol)
HlB
Tray
B- Enthalpy of liquid from tray (kJ/kg-mol)
HlB
TrayAbove
B - Enthalpy of liquid from tray above (kJ/kg-mol)
HB
r
B - Reverse flow liquid enthalpy (kJ/kg-mol)
Column

HB
T
B - Total holdup enthalpy (kJ/kg-mol)
HvB
Tray
B- Enthalpy of vapor from tray (kJ/kg-mol)
HvB
TrayBelow
B- Enthalpy of vapor from tray below (kJ/kg-mol)
MB
T
QB
f
B - Heat loss to metal from tray (kJ/sec)
QB
fh
B - Heat from fluid heat stream (kJ/sec)
QB
imp
B - Imposed heat to the tray (kJ/sec)
XB
Tray
B- Liquid mole fraction component vector from tray (fraction)
XB
TrayAbove
B - Liquid mole fraction component vector from tray above (fraction)
YB
TrayBelow
B- Vapor mole fraction component vector from tray below (fraction)
ZB
f
ZB
r

A Pressure-Enthalpy flash is then performed to determine the tray liquid holdup temperature.

Geometry

The internal tray diameter (Dia) is used in the calculation of the plate total area

4
2
Dia
Area Total Plate

=

where:
Dia - Internal tray diameter (m)

The downcomer area fraction is used to calculate the plate active area, which is in turn used in the
liquid level calculations.

) 1 ( reaFrac DownComerA Area Total Plate Area Active Plate =
where:
DowncomerAreaFrac - Downcomer area (fraction)

Downcomer Area Fraction is fixed depending on the number of passes. It takes the value of 0.1,
0.2 and 0.3 for One, Two and Four passes, respectively. The user can set this value by selecting
the passes as Other.

The parameter TrayFactor allows Dynsim to use the correct number of theoretical trays while
calculating the correct liquid holdup in the Column by adjusting the liquid level accordingly. The
tray liquid level is calculated from the area and the liquid holdup based on the ratio of modeled
trays to actual trays.

ctor AerationFa eArea PlateActiv R
M TrayFactor
L
T

=
where:
L -Tray liquid level (m)
MB
T
B -Liquid holdup total moles (kg-mol)
R -Liquid holdup mole density (kg-mol/mP
3
P)
TrayFactor -Ratio of modeled trays to actual trays (dimensionless)
AerationFactorB

B-B

BAeration factor to account for frothing (fraction)

Column

For packed stages, the following equation is used such that L is a convenient measure of liquid
holdup.
Beta HeightPack L =

where:
Beta - Liquid Holdup (fraction)
PackHeight - Packing height (m)

Hole Area Fraction is the fraction of active plate area and is used to calculate the pressure drop
due to vapor flow.

action HoleAreaFr Area Active Plate Area Hole Effective =

Flow Calculation

Tray Vapor Flow

There is no vapor accumulation in the tray since the tray submodel does not have a vapor holdup.
The net vapor flow (Fv) defined as the vapor phase flow resulting from the tray feed flash minus
the tray vapor side draws goes directly to the upper tray or to the Column vapor holdup if it is the
top tray.

Tray Liquid Flow

For traditional plate trays, the Francis Weir formula is used for liquid flow over the weir
calculation:

l l fraction length weir weir
MW R Dia L WeirHeight L F =
5 . 1
) ( 845 . 1

where:
DiaB

B-Tray diameter (m)
FB
weir
B-B

BLiquid flow over the weir (kg-mol/sec)
LB

B-Liquid level (m)
WeirHeightB

B-Weir height (m)
LB
weir length fraction
B-Weir length fraction of tray diameter (fraction)
MWB
l
B -Liquid molecular weight (kg/kg-mol)
RB
l
B-Liquid density (kg-mol/mP
3
P)

Weir length fraction is the fraction of the tray diameter and is used in the liquid flow calculations
through the weir. This value is fixed depending on the number of passes. It takes the value of
0.6, 1.0 and 1.6 for One, Two and Four passes respectively. The user can set this value by
selecting the passes as Other.

The liquid weep flow occurs when the vapor flow from the tray below is less than a fixed value
known as "Weep Vapor Flow. The following equation is applied for the weep flow calculation:

L DrainFrac KJ
F
F
F
weep
vap
drain
= )) 1 , 0 , ( LIM01 . 1 (
Column

where:
DrainFracB
-
BFraction of hole area available for liquid draining (fraction)
FB
weep -
BWeep vapor flow (kg-mol/sec)
FB
vap -
BVapor flow through the tray (kg-mol/sec)
LB
-
BLiquid level (m)
KJB
-
BFlow conductance factor (fraction)
LIM01 B
-
BLimit function to constrain the value between zero and one
FB
drain -
BWeep liquid flow (kg-mol/sec)

For packed stages, the StichlmairP
1
P correlation is used for calculating flow through packings:

L L L
L L
L
L
R Area Vel F
g MW R PackHeight
P
KBeta
Beta
PackArea
Void g
Vel
Area PackHeight R
M
Beta
=

+
=

=
2
3
2
65 . 4
. . .
20 1
.
42 . 2

where:
FB
L
B-Liquid flow rate to the tray below (kg-mol/sec)P
VelB
L
B- Superficial liquid velocity (m/sec)P
Area - Total cross sectional area of the tower at this tray (mP
2
P)
Void - Void fraction of the packed bed (fraction)P
RB
L
B- Density of the liquid (kg-mol/mP
3
P)
MWB
L
B- Molecular weight of Liquid (dimensionless)B
g - Gravitational constant (m/secP
2
P)
Beta - Liquid holdup (fraction)B
P - Pressure drop across the packed stage (kPa)
PackHeight - Height of the packed stage (m)
PackArea - Specific surface area of packing (1/m)

1. Stichlmair, J., Bravo, J.L. and Fair, J.R. , General model for prediction of pressure drop and
capacity of countercurrent gas/liquid packed columns, Gas Separation & Purification, Vol. 3
(March, 1989), pp. 19-28

Column

Pressure Calculations

The Column top pressure is determined by the Explicit compressible pressure calculations of
Column vapor holdup. The pressure of the remaining trays is calculated by adding the pressure
drop across each tray. The pressure drop is the combination of the pressure drops from the liquid
head and vapor flow. The equation for liquid static head includes a factor for aeration (frothing)
on the tray.

l l liq
MW R ctor AerationFa L g P =

where:
Aeration FactorB

B-B

PB
liq
B - Delta pressure from liquid static head (kPa)
gB

B-B

BAcceleration due to gravity (m/secP
2
P)
LB

B-B

BLiquid level (m)
MWB
l
B - Liquid molecular weight in (kg/kg-mol)
RB
l
B-B

BLiquid density (kg-mol/mP
3
P)

The equation for vapor pressure drop is calculated using an orifice coefficient of 0.6.

v
v
hole active
vap
MW
R
A A KJ
Fv
P

=
2
)
50 6 . 0
(

where:
AB
active
B-B

BActive tray area (mP
2
P)
AB
hole
B- Fraction of hole area (fraction)
PB
vap
B - Delta pressure from vapor flow (kPa)
FvB

B-B

BVapor flow (kg-mol/sec)
MWB
v
B - Vapor molecular weight (kg/kg-mol)
KJB

B-B

RB
v
B- Vapor density (kg-mol/mP
3
P)

KJ has a default value of one. It can be changed to tune the pressure drop across each tray.

Pressure drop through a packed bed is calculated using Stichlmair correlation. Coefficients for
Stichlmair correlation are required. If appropriate parameters are not available, use the default
values of C1, C2, and C3 and tune pressure drop with the conductance factor KJ.

Column

Pressure drop based on Stichlmair correlation:

( )
65 . 4
3
2
2
65 . 4 0 2
0
5 . 0
2 1
3 5 . 0
2 1
0
1 .
1
1 1
.
1
4
3
. 1000
1
Re . 2 Re
Re Re
. . . . 1000
Re
.
1 6

=
+ + =
=
=

=
Void
Beta
Void
Void
Beta
Void
P P
U
Dia
PackHeight
R
Void
Void
f
KJ
P
f
C C
c
C
C C
f
ViscV
MW R U Dia
A R
F
U
PackArea
Void
Dia
c
d
V
p
g d
V V
V V
v V v p
v
v
v
v
p

where:
diaB
p
B- Equivalent particle diameter (m)
Void - Bed void fraction (porosity) (fraction)
UB
V
B- Superficial gas velocity through the packed bed
FB
v
B- Vapor Flow Rate (kg-mol/sec)
RB
v
B- Density of vapor (kg-mol/mP
3
P)
A - Cross sectional area of the tower (mP
2
P)
ReB
v
B- Reynolds number for the gas
ViscV - Viscosity of vapor (cp)
fB
0
B- Friction factor for flow past a single particle
C1, C2, C3 - Coefficients for Stichlmair correlation
PB
d
B- Pressure drop through an unirrigated (dry) bed (kPa)
RB
V
B- Density of gas (kg/mP
3
P)
PackHeight - Height of the packed bed (m)
P - Pressure drop through an irrigated bed (kPa)
Beta - Liquid hold-up in a packed bed (fraction)
c - Exponent in the equation above
The little c is an exponent in the equation. I have put the equation for calculation of c above.
KJ - Conductance Factor to adjust pressure drop (dimensionless)

Stichlmair Coefficients (C1, C2, C3), Specific Surface Area and Void Fraction for commonly
used packings are available in the following table:
Column

Packing Type/size a
(mP
2
P mP
-3
P)

( - )
CB
1
B CB
2
B CB
3
B
Structured Packing:
Montz B1 300 300 0.97 2 3 0.9
B1 200 200 0.98 2 4 1.0
B1 100 100 0.99 3 7 1.0
Gempack 2A 394 0.92 3 2.4 0.31
3A 262 0.93 3 2.3 0.28
Sulzer Mellapak 250Y
(plastic)
250 0.85 1 1 0.32
Mellapak 250Y
(metal)
250 0.96 5 3 0.45
BX-packing 450 0.86 15 2 0.35
Dumped ceramic packings:
Raschig Rings 10 472 0.665 48 8 2.0
10 327 0.657 10 8 1.8
15 314 0.676 48 10 2.3
15 264 0.698 48 8 2.0
30 137 0.775 48 8 2.0
35 126 0.773 48 8 2.15
Pall Rings 25 192 0.742 10 3 1.2
25 219 0.74 1 4 1.0
35 139 0.773 33 7 1.4
35 165 0.76 1 6 1.1
Reflux Rings 50 120 0.78 75 15 1.6
Hiflow Rings 20 291 0.75 10 5 1.1
Berl Saddles 15 300 0.561 32 6 0.9
35 133 0.75 33 14 1.0
Intalox Saddles 20 300 0.672 30 6 1.4
25 183 0.732 32 7 1.0
35 135 0.76 30 6 1.2
Torus Saddles 25 255 0.73 19 1 0.85
50 120 0.75 10 8 0.75
Dumped metal packings:
Raschig Rings 12 416 0.94 60 1 7.5
15 317 0.924 40 1 6
Pall Rings 25 215 0.94 0.05 1 3
35 130 0.95 0.1 0.1 2.1
Bialecki Rings 25 225 0.94 50 7 2.5
Nutter Rings 50 96.5 0.978 1 1 2.65
Cascade Mini Rings 25 230 0.96 -2 -2 2
Supersaddles 25 165 0.978 1 1.6 2.1
Pall Rings 90 71 0.95 -5 -4 2.3
NSW-Rings 25 180 0.927 1 1 1.35
Leva 1 190 0.92 1 1 2.0
2 143 0.94 1 1 2.3

Column

Flash Calculations

Tray submodel contains two flashes, feed flash and liquid flash.

In a feed flash, all the feeds to the tray and recycle flow from the tray liquid holdup are mixed and
a pressure-enthalpy flash is performed for separation of phases. The liquid phase enters the tray
liquid holdup and the vapor phase enters the tray above.

In the liquid flash, the liquid from the feed flash and the tray liquid holdup are mixed and a
pressure-enthalpy flash is performed to determine the liquid holdup temperature.

Phase Separation and Level Calculations

Each tray of the Column makes use of the InternalPhases and ExternalPhases to determine the
type of separation it performs. The InternalPhase of the Column will be used to set the
InternalPhase of the Tray feed flash.

InternalPhases of the Tray feed flash object can be VLE, Free Water, VLLE, or Decant.
ExternalPhases can be Two or Three. For example, VLE and Two can be chosen for a typical
two-phase separation while VLLE and Three can be chosen for a three-phase separation.

InternalPhases of the Tray liquid flash object can only be Liquid. External phase can only be
Mixed. This means that no Liquid/Liquid separation will occur in the tray liquid flash.

The liquid level calculations are independent for each tray. The bottom of each tray corresponds
to the reference zero level. The liquid and liquid2 levels are calculated based on this reference
level. The maximum liquid level in any tray is limited to the tray spacing. If there are two
parameters, L and L2, for level indication in a tray corresponding to liquid (hydrocarbon) and
liquid2 (aqueous) phases, L2 will always be 0 indicating that the second liquid phase is mixed
well with the first liquid phase.

Liquid Holdup Recycle

The liquid entering the tray from the tray above, the vapor entering from the tray below and the
feed (if there is one) will be in partial equilibrium with the tray liquid holdup. The extent of
equilibrium can be controlled by recycle of liquid holdup to the feed flash using the parameter
KLRecycle. The reciprocal of this parameter corresponds to the simulation time required for
complete recycle of the holdup. The default value of 0.003333 corresponds to 300 sec (5min) for
complete holdup recycle. Since the simulation period is 0.25 sec, a value of 4 corresponds to
complete recycle of liquid holdup at every time step. The user is advised to use the default values
to start with and may tune these parameters to achieve the desired equilibrium.

Holdup Initialization

Holdup initialization for Column is available for both the vapor holdup and each trays liquid
holdup. Please refer to Base Equipment Fundamentals section on Holdup Initialization.

Column

Base Vessel Initialization

The Column sump can be modeled using a vertical Drum or Separator with one head. The
product stream from the Base Liquid Product port of the Column can be fed directly to the base
vessel and the vapors from the base vessel can be fed to Column through the Base Vapor Feed
port. The base vessel pressure will be generally higher than the bottom most tray pressure. In
order that the liquid flows down to the sump, the base vessel should be made a part of the
Column. This is done by specifying the instance name of the base vessel against the OBase
parameter of the Column. If this parameter is not initialized, the base vessel will not be a part of
the Column pressure and flow solution and the liquid flow across bottom tray and the base vessel
will take place only when connected via a flow device.

Port Location and Diameter

The general feed and product ports are used to configure feed and product streams for the tray.
The port location is always with reference to the base of the tray. The maximum height of the
port location is limited to tray spacing. The streams from these ports can be connected only to
flow devices.

There are two ports at the bottom of the Column, the base liquid product port to Column base and
the base vapor feed port for vapor product from Column base. The base liquid product port is the
zero reference point to the Column as a whole. The base liquid product port should be connected
to a Drum or Separator that acts as a sump. The vapor stream from the sump is connected to the
vapor feed port.

Apart from the regular feed and product ports, Column has a set of special ports to handle vapor
products from top tray, liquid products from bottom tray as well. The ports for liquid products
from the bottom tray are also at the zero reference point to the Column. The ports for vapor
products from the top tray are at the top of the top tray (tray number 1).

Please refer to the Base Equipment Fundamentals section on Port Location and Diameter.

Heat Transfer

Each tray has heat transfer from the liquid holdup to the tray metal and from the tray metal to the
surroundings. Please refer to the Base Equipment Fundamentals section for more details on heat
transfer calculations.

Heat Streams

Heat transfer from an external source to the fluid or metal can be configured through heat
streams. The fluid and metal heat streams are configured on a tray-to-tray basis. These heat
streams should originate from any source that performs heat transfer calculations and sets Q in
the heat stream, such as Utility Exchanger. Any number of heat streams can be connected.

Column supports external heat input directly to the tray fluid through the parameter QB
imp.
B
The external heat input is set on a tray-by-tray basis.

Column

Boundary Specifications

Boundary specifications for the Column can be used to set the boundary vapor holdup pressure.
The intermediate tray pressures will be calculated based on the liquid and vapor heads. When the
boundary pressure is set, the mass and energy balance will not be satisfied. The boundary
condition should be used only for simulation tuning and debugging.
Column

Example

The following example shows the configuration of sour water stripper with level and pressure
PID controller. Ammonia and hydrogen sulfide are stripped from sour water using steam in a
stripper with 7 trays. It is desired to maintain a column pressure at 143.4kPa and sump level at
0.25m. The desired pressure drop across the column is 5 kPa at steady state.

There is only two-phase separation in the Column, so the InternalPhases is set to VLE and the
ExternalPhases to Two. We assume that all trays are identical, so the data can be provided on a
global basis. Strippers generally have single pass trays, so the number of passes is set to One.
The tray geometry parameters can be obtained from the equipment datasheet. Weeping will
occur in trays when the vapor flow is less than 0.0025kg-mol/sec, so the weep vapor flow is set to
this value.

The sour water feed to the stripper is to the top tray and the port location is above the weir.
Therefore the sour water feed tray is 1 and the port height is 0.1 m. Steam is fed to the stripper to
the bottom tray and the port location is at the base of the tray. Therefore the steam feed tray is 7
and the port height is 0. The stripped sour water is drawn from the bottom tray and the port
location is at the base of the tray. Therefore, the sour water product tray is 7 and the port height
is 0. Steam with HB
2
BS and ammonia are leaving the stripper from the top. The steam product
stream can be connected to the normal port at maximum height. Therefore, the steam product
tray is 1 and the height is 0.67, which corresponds to the tray spacing. A level PID controller
(LC1) controls the bottom tray level, so C1.Tray7.L is set as PV to the PID controller. The
column top pressure is controlled using a pressure PID controller (PC1), so C1.P is set as PV to
the PID controller.

The desired pressure drop across the column is 5 kPa, so the flow conductance factor is tuned to a
value of 0.85. The vapor holdup will have conditions similar to the stripping steam, so the vapor
holdup is initialized to the Source Steam. The tray liquid holdup will have conditions similar to
the sour water, so the tray liquid holdup is initialized to the Source SourWater.

Column

SOURCE: SourWater
Parameter Assignment UOM Description
OProdStream[0] S1
Source product stream to the Valve
XV1
Z[N2] 0.000048 fraction Boundary composition
Z[METHANE] 0.000125 fraction Boundary composition
Z[H2S] 0.015699 fraction Boundary composition
Z[NH3] 0.031898 fraction Boundary composition
Z[CO2] 0.000076 fraction Boundary composition
Z[HEXANE] 0.000005 fraction Boundary composition
Z[NONANE] 0.000002 fraction Boundary composition
Z[H2O] 0.952146 fraction Boundary composition
Spec PT Boundary condition specification.
Pb 172.37 kPa Boundary pressure
Tb 338.71 K Boundary temperature

VALVE: XV1
OFeedStream S1
Valve feed stream from Source
SourWater
OProdStream S2 Valve product stream to Column C1
Cv 263.36 Cv Valve Cv
Op FC1.OUT fraction
Flow PID controller output attached
to the Valve open command.

PID: FC1
PV S1.F kg-mol/sec
Valve inlet stream flow set as PV to
the PID controller
SP 0.188 kg-mol/sec Set point of the flow PID controller
KP 0.5 PID controller proportional gain
KI 0.5 PID controller integral gain

SOURCE: Steam
OProdStream[0] S3
XV2
Z[N2] 0 fraction Boundary composition
Z[METHANE] 0 fraction Boundary composition
Z[H2S] 0 fraction Boundary composition
Z[NH3] 0 fraction Boundary composition
Z[CO2] 0 fraction Boundary composition
Z[HEXANE] 0 fraction Boundary composition
Z[NONANE] 0 fraction Boundary composition
Z[H2O] 1 fraction Boundary composition
E 10 m Elevation of the Source
Column

VALVE: XV2
OFeedStream S3
Steam
OProdStream S4 Valve product stream to Column C1
Cv 100 Cv Valve Cv
Op FC2.OUT fraction

PID: FC2
PV S3.F kg-mol/sec
the PID controller

COLUMN: C1
TrayNum 7 Number of trays
TrayData ALL

Tray data configuration type. Set to
global basis
Dia 0.75 m Tray diameter
Passes ONE Number of passes
KJ
0.85 Conductance factor for tuning vapor
pressure drop
Weep Vapor Flow 0.0025 kg-mol/sec Threshold value of vapor flow
below which the liquid starts to
drain from the tray
FeedTray[0] 1 Sour water feed tray number
FeedTray[1] 7 Steam feed tray number
OFeedStream[0] S2 Feed stream from Valve XV1
Li[0] 0.1 m Sour water feed stream port height
Li[1] 0.0 m Steam feed stream port height
ProdTray[0] 1 Stripped sour water product tray
number
ProdTray[1] 7 Steam product tray number
OProdStream[0] S5 Product stream to Valve XV3
Lx[0] 0.67 m Steam product stream port height
Lx[1]
0.0 m Sour water product stream port
height.
OInitVaporSource Steam Source to which Column vapor
holdup is initialized
OInitSource SourWater Source to which tray liquid holdup
is initialized.
InternalPhases VLE InternalPhases
ExternalPhases TWO ExternalPhases
Column

VALVE: XV3
OFeedStream S5 Valve feed stream from Column C1
OProdStream S6 Valve product stream to Sink SNK1
Op PC1.OUT fraction
Pressure PID controller output
attached to the Valve open
command.

PID: PC1
PV C1.P kPa
Column top pressure set as PV to the
PID controller
SP 143.4 kPa
Set point of the pressure PID
controller

SINK: SNK1
OFeedStream[0] S6 Sink feed stream from Valve XV3
Pb 100 kPa Boundary pressure

VALVE: XV4
OFeedStream S7 Valve feed stream from Column C1
Op LC1.OUT fraction
Level PID controller output attached

PID: LC1
PV C1.TRAY7.L m
Column tray 7 level set as PV to the
PID controller
SP 0.25 m Set point of the level PID controller
KP 1 PID controller proportional gain

SINK: SNK2

Column

Data Entry Window Usage

Configuration Dialog

Number of trays corresponds to the TrayNum parameter. Please enter the number of theoretical
trays.

Column

Basic Tab

Column Elevation

Elevation of the Column bottom corresponds to the E parameter. It is the elevation of the
Column with respect to the reference ground level. This value is used in the static head
correction of the feed and product stream pressures. The elevation of the tray above is calculated
by summing tray elevation and spacing.

Column

Tray Parameters

Tray configuration on global or tray-by-tray basis corresponds to the TrayData parameter.
Select the option Global basis to configure the same parameters for all the trays in the Column.
Select Tray by tray to set the parameters on a tray-by-tray basis.
Tray Type corresponds to TrayType parameter. Select Plate if the Tray happens to be of Plate
type. Select Pack if the tray happens to be a packed bed.

Tray diameter corresponds to the Dia parameter. This value can be obtained from the equipment
datasheet.

Tray spacing corresponds to the Spacing parameter. This value can be obtained from the
equipment datasheet. It is used in the vapor volume calculations, if the parameter VolVap is not
initialized. Default value is 0.67m, which is typical if no data is available.

Conductance factor corresponds to the KJ parameter. It is used in the pressure drop calculations
due to vapor flow. The default value is 1. This value can be used to tune the pressure drop due to
vapor flow across the tray.

Tray factor corresponds to the TrayFactor parameter. It is defined as the ratio of number of
modeled trays to number of actual trays. This parameter is used to maintain proper holdup
calculations for the entire column when the column is modeled with number of theoretical trays
rather than number of actual trays. Tray factor is used to scale up the holdups and other data to
match the dynamic response to the actual column. By using this theoretical trays approach, the
computation load can be significantly reduced while still maintaining the separation accuracy.
This parameter should not be confused with the tray efficiency.

Plate Parameters

Weir height corresponds to the WeirHeight parameter. This value can be obtained from the
equipment datasheet. Default value is 0.056m, which is typical if no data is available.

Number of passes corresponds to the Passes parameter. One, Two or Four passes can be set.
When the option Other is chosen the user will have to set the Weir length fraction and
Downcomer area fraction. Default option is One pass.

Hole area fraction corresponds to the HoleAreaFrac parameter. It is used in the pressure drop
due to vapor flow calculations. The default value is 0.12, which can be used in most cases.

Hole area available for liquid draining corresponds to the DrainFrac parameter. It should always
be less than or equal to the hole area fraction. Use a default value of 1.0 for sieve trays. The
default value of 0.1 is for valve trays with some leakage.

Aeration fraction corresponds to the Aeration parameter. It is used in the pressure drop due to
liquid head calculations. The default value is 0.7. This value can be used to tune pressure drop
due to liquid head across the tray.

Weep vapor flow corresponds to the WeepVaporFlow parameter which represents threshold
value of the vapor flow below which liquid starts to drain from the tray. If the default value is
left in place no draining will occur. The user may have to set this value for desired results.

Column

Heat Transfer Tab

Metal Heat Loss to Ambient

Metal to ambient heat transfer coefficient corresponds to Ul parameter. It is used in the heat
transfer calculation from metal to the ambient. The default value can be used in most cases.

Fluid Heat Loss to Metal

Natural convection heat transfer coefficient corresponds to Un parameter. It is used in heat
transfer calculation from fluid to the metal. The default value can be used in most cases.

Metal Mass

Total Column metal mass corresponds to the Mm parameter. It is used in the metal temperature
dynamic calculations. Small values can result in instability in the Column.
Column

Feeds Tab

Feed Streams

Feed stream port height corresponds to the Li parameter. The feed port height is used in
calculation of static head correction of feed stream pressure. The port height of the stream is
specified with respect to the bottom of tray and maximum port height is limited to the tray
spacing. The feed port is generally located above the tray weir. Default value of the port height
is 0. User may have to set this value for desired results.

Feed stream port diameter corresponds to the Di parameter. The feed port diameter is used to
determine the stream properties for reverse flow case when there is a fluid interface at the port.
The default value is 0, which can be used for most cases.

Column

Products Tab

Product Streams

Product stream port height corresponds to the Lx parameter. The product port height is used in
calculation of static head correction of product stream pressure. The port height of the stream is
specified with respect to the bottom of the tray and maximum port height is limited to the tray
spacing. Default value of the port height is 0 that can be used in most of the cases.

Product stream port diameter corresponds to the Dx parameter. The product port diameter is used
to determine the stream properties for forward flow when there is a fluid interface at the port.
The default value is 0.

Column

Base Model

A Drum or Separator unit used to model bottom tray corresponds to the OBase parameter. The
instance of the Drum or Separator used as Column sump must be specified here. If not specified,
the Drum/Separator will not be a part of the Column and the fluid will not flow to it from the
Column bottom unless connected via a flow device.

Column

Heat Streams Tab

Feed Fluid Heat Stream

Feed fluid heat stream corresponds to the OFeedFluidHeatStream parameter. The list of all the
fluid heat streams connected to the Column will be displayed in the Stream array. The user
should select the tray to which each of the heat streams is configured by selecting the tray number
from the Tray array.

Feed Metal Heat Stream

Feed metal heat stream corresponds to the OFeedMetalHeatStream parameter. The list of all
the metal heat streams connected to the Column will be displayed in the Stream array. The user
should select the tray to which each of the heat streams is configured by selecting the tray number
from the Tray array.

Column

Boundary Conditions Tab

Boundary Condition

The Boundary Conditions Tab is used for setting boundary conditions in Column. They should
be used only for simulation tuning and debugging, and should not be left in place.

Boundary condition corresponds to BoundarySpec parameter. Column top vapor holdup
boundary pressure can be set through this parameter. The default value of None should be used
after model tuning.

Pressure corresponds to the Pb parameter. This value must be set when the Pressure boundary
specification is selected.
Column

Initialization Tab

Initialize Holdup Contents

The Initialization Tab is used for initializing the holdup based on the Source to which it is
attached. The temperature, pressure, and composition of the holdup will be initialized from the
Source when a load full is performed.

Source initialization object for vapor holdup corresponds to the OInitVaporSource parameter.
The instance of the Source object from which the Column vapor holdup is initialized should be
specified here.

Reinitialize vapor holdup during Load Full corresponds to the ReInitVaporFlag parameter.
Check this flag to perform vapor holdup initialization during Load Full. If no Source object is
specified and ReInitFlag is checked, vapor holdup will be initialized to equimolar composition,
standard temperature, and pressure.

Column

Source initialization object for the tray liquid holdup corresponds to the OInitSource parameter.
The instance of the Source object from which the tray liquid holdup is initialized should be
specified here.

Reinitialize tray holdup during Load Full corresponds to the ReInitFlag parameter. Check this
flag to perform holdup initialization during Load Full. If no Source object is specified and re-
initialization flag is checked, tray holdup will be initialized to equimolar composition, standard
temperature, and pressure.

Column

External Inputs Tab

The External Inputs Tab is used to set dynamic parameters. Only the initial value of these
parameters can be set through the Data Entry Window. Parameter references and equations can
be attached to these parameters. The numerical value of these parameters cannot be changed in
the running engine through Data Entry Window and will have no affect on the running model.

Ambient Temperature

Ambient temperature corresponds to the Tamb parameter. It is normally associated with a global
standalone point TAMBIENT.

Imposed Heat to Fluid
Imposed heat to fluid corresponds to the Qimp parameter. External heat input can be imposed on
a tray-by-tray basis. The default value can be left in place when there is no external heat input to
the trays.
Column

Thermo Tab

Thermo Options

Component slate corresponds to the CompSlate parameter, Method Slate to the MethodSlate
parameter, Local thermo options to LocalThermoOption parameter, and Local flash option to
the LocalFlashOption. To avoid having to set these parameters for each new equipment on the
flowsheet, specify the defaults in the SIM4ME thermo GUI.

Phase Options

InternalPhases corresponds to the InternalPhases parameter. Use this to specify the kind of flash
performed by SIM4ME Thermo such as VLE, VLLE, Free Water and Decant. ExternalPhases
corresponds to the ExternalPhases parameter.

Column

Others

Expansion isentropic efficiency corresponds to the Flash.Eff parameter. This is an isentropic
efficiency used for depressuring processes. This value can be adjusted to get the required
temperature during gas depressuring. This is not commonly used for Column.
Column

Notes Tab

Column

The Column Viewer

Column Viewer displays the values of the some of the base parameters as shown in the following
snapshot.

To invoke the Column Viewer feature, right click on the Column object on the flowsheet and
select View Column. Alternatively select the Column object node from the instances tree and
right click to select View Column.

Column

Parameter Table
Basic
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
TrayType
Type of Tray
The type of tray could be either Plate or
Packing.
0 = PLATE
1 = PACK
The option selected will create plate specific or
packing specific parameters.
KI PLATE No
AreaPack
Specific surface area of packing
Specific surface area is the surface area per unit
of packing volume. This is also the reactive
surface area if reactions are present on the tray.
KD100 Yes 1/m
Void
Void fraction of the packed bed
Void fraction is the empty volume per unit
volume of the packed bed.
KD0.9 Yes fraction
C1
Coefficient for Stichlmair Correlation
The default value is for Raschig Rings of size 10.
User must supply correct value based on the type
of packing. Please refer to user document, which
provides values for these coefficients for most
commonly used packings.
KD48.0 Yes
C2
of packing. Please refer to user document which
provides values for these coefficients for
most commonly used packings.
KD8.0 Yes
C3
of packing. Please refer to user document which
provides values for these coefficients for
KD2.0 Yes
PackHeight
Height of the packed bed
Height of the packed bed associated with this
tray.
KD1 Yes m
KBeta
Holdup adjustment factor
This parameter can be used to adjust the holdup.

KD1 Yes
Column

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Aeration
Factor
Aeration fraction
Aeration factor controls the amount of vapor in
liquid phase. At a value of 0.5, the liquid volume
doubles (1/0.5) due to the presence of vapor. If
the tray data option is ALL, this value will be
used to set the same aeration fraction for each
tray else it should be set on tray-by-tray basis
KD0.7 Yes fraction
Dia
Tray diameter
Inside diameter of the tray. If the tray data
option is ALL, this value will be used to set the
same diameter for each tray else it should be set
on tray-by-tray basis
KD2 Yes m
E Relative elevation KD0 No m
DrainFrac
Fraction of hole area available for liquid draining
Fraction of hole area available for liquid
draining. Use 1.0 for sieve trays, use 0 for valve
trays, and use 0.2 for very leaky valves. If the
tray data option is ALL, this value will be used to
set the same hole area fraction for liquid
draining for each tray else it should be set on
tray-by-tray basis
KD0.1 Yes fraction
WeepVapFlow
Weep vapor flow
It is the threshold value of vapor flow below
which the liquid starts draining through the
holes. If the tray data option is ALL, this value
will be used to set the same dump flow for each
tray, else it should be set on tray-by-tray basis.
Typical value is 40% of the normal vapor flow
KD0.01 Yes
kg-
mol/sec
HoleAreaFrac
Hole area fraction on the tray
This is the total effective hole area given as a
fraction of the active area. If the tray data
same hole area fraction for each tray else it
should be set on tray-by-tray basis
KD0.12 Yes fraction
KJ
Flow conductance factor
This factor represents a tuning factor on the tray
vapor forward flow conductance. If the tray
data option is ALL, this value will be used to set
the same forward flow conductance for each tray
else it should be set on tray-by-tray basis
KD1 Yes fraction
Column

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Passes
Number of passes
The number of flow paths (passes) on each tray.
If the tray data option is ALL, this value will be
used to set the same number of passes for each
tray, else it should be set on tray-by-tray basis.
Allowable options are:
0 = ONE
1 = TWO
2 = FOUR
3 = OTHER
KI ONE No
Spacing
Tray spacing
Distance between two trays. If the tray data
same tray spacing for each tray else it should be
set on tray-by-tray basis
KD0.67 Yes m
Tray.Cpm
Metal specific heat
Metal specific heat. The default value is typical
of carbon steel.
KD0.5 Yes

kJ/kg K

TrayEff
Tray efficiency
Tray efficiency defines the fraction of vapor
through the tray from the tray below. The rest of
vapor will bypass the tray and feed to the tray
above. If the tray data option is ALL, this value
will be used to set the same tray efficiency for
each tray else it should be set on tray-by-tray
basis
KD1. Yes fraction
TrayData
Tray data option
0 = ALL
1 = TRAY
When the option ALL is selected, all the trays in
the Column will use the same parameters on a
global basis. When the option TRAY is selected,
the parameters can be set on tray-by-tray basis.
KI ALL
TrayName
Tray name
It is set based on the tray number to identify the
trays. The top most tray has tray name of Tray1
and the bottom most tray has tray name of
Tray<NTRAY>.
Tray1 No NTRAY
TrayNum
Tray number
Trays are numbered from top to bottom. It is 1
for the top most tray and NTRAY (number of
trays) for the bottom most tray.
DI 1 No NTRAY
Column

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
VolVap
Column vapor holdup volume
Column vapor holdup volume used for vapor
holdup and pressure calculation. If not
specified, Dynsim will calculate the volume
based on the Column data
KD Yes mP
3
P
WeirHeight
Weir height
Weir height for each tray. If the tray data option
is ALL, this value will be used to set the same
weir height for each tray else it should be set on
tray-by-tray basis
KD0.056 Yes m

Heat Transfer
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Mm
Column total metal mass
Used in the metal temperature calculations
KD5000 Yes kg
Ul
Ambient loss heat transfer coefficient
Heat transfer coefficient between metal and ambient
KD0.01 Yes
kW/mP
2
P-
K
Un
Natural convection heat transfer coefficient
Natural convection heat transfer (film) coefficient from fluid
to metal. There is no forced convection modeled in the
Column
KD0.10 Yes
kW/mP
2
P-
K

Solution Options
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Ar
r
Siz
UOM
HoldupOptions
Holdup option
Only LIQUID option is available. For
LIQUID option, there is only liquid holdup
on the tray, no vapor holdup. It supports
liquid backup between trays, but not reverse
vapor flow between trays. Allowable options
are:
0 - LIQUID
KI LIQUID No
Solution Option
Solution Options
0 = ITERATED
1 = EXPLICIT
2 = LOCAL_ITERATED
3 = SIMULTANEOUS
KI
SIMULTANEO
US

TrayEffOption
Tray efficiency option
Only BYPASSVAP is available.
KI BYPASSVAP No
TrayFactor
Tray factor
Ratio of modeled trays to actual trays. It is
used to maintain proper calculations for the
KD 1
Ye
s
fraction
Column

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Ar
r
Siz
UOM
entire Column while simulating the Column
with number of theoretical trays rather than
actual trays. If the tray data option is ALL,
this value will be used to set the same tray
factor for each tray else it should be set on
tray-by-tray basis
The values below can be entered on tray-by-tray basis
TrayEffOption
Tray efficiency option
Only BYPASSVAP is available.
KI BYPASSVAP No
TrayFactor
Tray factor
Ratio of modeled trays to actual trays. It is
used to maintain proper calculations for the
entire Column while simulating the Column
with number of theoretical trays rather than
actual trays. If the tray data option is ALL,
this value will be used to set the same tray
factor for each tray else it should be set on
tray-by-tray basis
KD 1 Yes fraction

Reactions
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Rxn.RxnFlag
Reaction flag
This flag turns on or off the all of the
reactions in the reactor. The default
value is no reactions (0). If the reaction
data option is ALL, this value will be
used to set the same reaction flag for
each tray else it should be set on tray-
by-tray basis
KB false No N/A N/A
Rxn.RxnData
Tray reaction data option
0 = ALL
1 = TRAY
When the option ALL is selected, all the
trays in the Column will use the same
reaction parameters on a global basis.
When the option TRAY is selected, the
reaction parameters can be set on tray-
by-tray basis
KI ALL No N/A N/A
Rxn.RxnFactor

Reaction factor
This parameter can be used to scale all
the reaction rates in the reactor to
simulate the reactor efficiency. The
default value is 1. If the reaction data
KD 1
Yes

Column

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
option is ALL, this value will be used to
set the same reaction factor for each
tray else it should be set on tray-by-tray
basis
Rxn.ORxnDataSet
Reaction data set object(s)
This defines the Reaction Data Set
objects in the reactor. If the reaction
used to set the Reaction Data Set
objects for each tray else it should be
RXN
DAT
ASE
T
0 No
Rxn.RxnDataSetSta
tus
Reaction data set status
0 = PASSIVE
1 = ACTIVE
This turns on or off the Reaction Data
Set in the reactor. This value, if
initialized, will be used instead of the
corresponding Reaction Data Set's
Status parameter. If the reaction data
set the Reaction data set status for each
tray else it should be set on tray-by-tray
basis
KI No
Rxn.DEBUGFLAGS

Reaction Data debug flags
This parameter is a collection of binary
flags. Each equipment model interprets
the flags its own way. If the reaction
used to set the same debug flags for
reaction data for each tray else it
KI 0 No
Rxn.RefStateOpts

Reference state options
This Parameter specifies the reference
state. Allowable options are:
0 = REFPHASE
1 = REFPRES
2 = EXITPRES
The Reference temperature from the
Reaction Data and the option from the
RefStateOpts can be used to define the
reference state. If the reaction data
set the same reference state option for
KI
REFPH
ASE
No
Rxn.RefTemp
Reference temperature
This display only parameter shows the
DD 298.15 No K
Column

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
reference temperature that is used for
the reference state calculation. The
reference temperature is defined by the
Reaction Data. If the reaction data
set the same reference temperature for
Rxn.RefPres
Reference pressure
This parameter can be used to display
the reference pressure (RefStateOpts =
REFPHASE) or defined the reference
pressure (RefStateOpts = REFPRES). If
the reaction data option is ALL, this
value will be used to set the same
reference for each tray else it should be
DD
101.32
5
No kPa
Rxn.RefPhase
Reference phase
This parameter can be used to define
the reference phase for the reference
state calculation if the RefPhase option
is selected from the RefStateOpts.
0 = VAPOR
1 = LIQUID
2 = UNDEFINED
If Undefined is selected the reference
phase is determined by the reaction
data. If the reaction data option is ALL,
this value will be used to set the same
reference phase for reaction data for
each tray else it should be set on tray-
by-tray basis
KI
UNDE
FINED
No

Boundary Conditions
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
BoundarySpec
Boundary specification option
0 = NONE
1 = P
Boundary specifications for tuning a simulation.
Allowable options are NONE and P, H, T, PT, PH.
Pressure boundaries lead to loss of mass conservation.
KI NONE No
Pb
Boundary pressure
For simulation tuning. The equipment will not maintain
material balance if a boundary pressure is set.
KD Yes kPa
Column

Initialization
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
OInitSource
Source Initialization object
If OInitSource is specified, the tray, mass and energy of
the liquid holdup will be initialized from the specified,
Source model. The Source should have the same
Internal, and ExternalPhases specification as the Column
OBJECT
OInitVapor
Source
Source initialization object for vapor holdup
If OInitVaporSource is specified, the mass and energy of
the Column vapor holdup will be initialized from the
specified Source model.
OBJECT
ReInitFlag
Reinitialize liquid holdup flag
The vessel will reinitialize from a Source model if
specified. If not, the vessel will use an arbitrary,
composition based on an equimolar composition,
Midpoint levels will be used if an initial L or L2 is not
provided
KB 0 No
ReInitVapor
Flag
Reinitialize vapor holdup flag
The Column vapor holdup will initialize from a Source
model If specified. If not, the Column vapor holdup
will use an equimolar vapor composition.
KB 0 No

External Inputs
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Tamb
Ambient temperature
Ambient temperature. Normally associated with
global standalone point TAMBIENT
DDTAMBIENTYes K
The values below can be entered on tray-by-tray basis.
Ul
Heat transfer coefficient between metal and ambient
KD0.01 Yes
kW/mP
2
P-
K
Un
Natural convection heat transfer (film) coefficient
from fluid to metal. There is no forced convection
modeled in the Column
KD0.10 Yes
kW/ mP
2
P-
K
Qimp

Imposed heat to fluid
External heat imposed on the fluid. It is set on tray-
by-tray basis
DD0 Yes kJ/sec
Tamb
Ambient temperature
DDTAMBIENTYes K

Column

Nozzles
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Di
Diameter of inlet port
This is an array of nozzle diameters that corresponds to
the array of feed ports. This diameter is used to ramp
transition from one phase to another as phase boundary
pass. It is only used for reverse flow
KD0.05 No
OFeed
Stream
m
DiBaseV
Diameter of base VAPOR feed port
This nozzle diameter corresponds to base VAPOR feed
from OBASE object port. This diameter is used to ramp
pass. It is only used for reverse flow.
KD0.05 No m
Dx
Diameter of outlet port
the array of product ports. This diameter is used to ramp
pass
KD0.05 No
OProd
Stream
m
DxBaseL
Diameter of base LIQUID product port
This nozzle diameter corresponds to base LIQUID product
to OBASE object port. This diameter is used toramp
pass.
KD0.05 No m
DxL
Diameter of LIQUID outlet port
This is an array of nozzle diameter that corresponds to the
array of LIQUID product ports from bottom tray .This
diameter is used to ramp transition from one phase to
another as phase boundary pass.
KD0.05 No
OProd
Liquid
m
DxV
Diameter of VAPOR outlet port
This is an array of nozzle diameter that corresponds to the
array of VAPOR product ports from top tray. This
KD0.05 No
OProd
Vapor
m
Li
Height of inlet port
This is an array of nozzle heights that corresponds to the
array of feed streams. The height is relative to the
individual feed tray.
KD0 No
OFeed
Stream
m
Lx
Height of outlet port
array of product streams. The height is relative to the
individual product tray.
KD0 No
OProd
Stream
m

Column

Advanced
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
DebugFlags
Column debug flags
This parameter is a collection of
binary flags. Each equipment model
interprets the flags its own way.
KI 0 No
DPLiqFactor
Liquid head scale factor
This parameter can be used to scale
the tray liquid head. Use 1.0 for a
normal tray type, and use 0.0 for a
chimmy tray. If the tray data option
is ALL, this value will be used to set
the same level at coil bottom draining
for each tray, else it should be set on
tray-by-tray basis.
KD 1 Yes fraction
ViscV
Viscosity of vapor
This is used in the pressure drop
calculation in a packed bed. The
default value supplied is that of air at
20 degC and 1 atm. User must set the
correct value of the fluid involved to
get accurate results.
KD 0.02Yes cp
FluidHeatTray
Fluid heat stream tray
This is an array of tray location that
corresponds to the array of feed fluid
heat streams OFeedFluidHeatStream.
KI 0 No
OFeed
Fluid
Heat
Stream

KJBase
Conductance scale from Base to
bottom tray
A value of 1.0 provides a consistent
pressure drop through the bottom
plate with the other tray plates in the
column. Default value of 0.02 makes
pressure stable for Explicit base
models.
KD 0.02Yes
KLag
Dynamic response lag
Used to dampen dynamic response.
Can result in the loss or creation of
mass and energy. Should not be used
for engineering studies
KD 1 Yes fraction
LCb
Level at coil bottom
The height to the bottom of an
internal coil or tube bundle within the
tray. It is used to calculate the heat
stream AreaFrac if the Column is
connected to an
Utility Exchanger. If the tray data
option is ALL, this value will be used
to set the same level at coil bottom
draining for each tray else it should
KD 0 No m
Column

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
be set on tray-by-tray basis
LCt
Level at coil top
The height to the top of an internal
coil or tube bundle within the tray. It
is used to calculate the heat stream
AreaFrac if the Column is connected
to an Utility Exchanger. If the tray
used to set the same level at coil top
for each tray else it should be set on
tray-by-tray basis
KD 0 No m
MetalHeatTray
Metal heat stream tray
This is an array of tray location that
corresponds to the array of feed
metal heat streams
OFeedMetalHeatStream.
KI 0 No
OFeed
Metal
Heat
Stream

OFeedFluid
HeatStream
Feed fluid feed heat stream
Array of feed heat streams connected
to the fluid of the Column.
HEAT
STREAM
No
User
Specifie
d

OFeedMetal
HeatStream
Feed metal heat stream
Array of feed heat streams connected
to the metal wall of the Column.
HEAT
STREAM
No
User
Specifie
d

KLRecycle Liquid recycle tuning constant KD 0.1 Yes 1/sec
The values below can be entered tray-by-tray basis
Tray.DPLiqFactor
Liquid head scale factor
This parameter can be used to scale
the tray liquid head. Use 1.0 for a
normal tray type, and use 0.0 for a
chimmy tray. If the tray data option
is ALL, this value will be used to set
the same level at coil bottom draining
for each tray, else it should be set on
tray-by-tray basis.
KD 1 Yes fraction
Tray.KLRecycle Liquid recycle tuning constant KD 0.1 Yes 1/sec
Tray.LCb
internal coil or tube bundle within the
tray. It is used to calculate the heat
stream AreaFrac if the Column is
connected to an
Utility Exchanger. If the tray data
option is ALL, this value will be used
to set the same level at coil bottom
draining for each tray else it should
be set on tray-by-tray basis
KD 0 No m
Column

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Tray.LCt
Level at coil top
coil or tube bundle within the tray. It
is used to calculate the heat stream
AreaFrac if the Column is connected
to an Utility Exchanger. If the tray
used to set the same level at coil top
for each tray else it should be set on
tray-by-tray basis
KD 0 No m

Column

Calculated Values
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FVSideDraw
Vapor side draw from vapor holdup
This value indicates total amount of vapor side
draw from the vapor holdup excluded top tray.
DD0.0 No
kg-
mol/sec
MT
Total moles
Total column top vapor holdup moles in the Column
for all components and phases.
DD0 No kg-mol
The values below are calculated on tray-by-tray basis
Tray.Fl
Liquid product mole flow rate Liquid product mole
flow rate to the tray below.
DD0 No
kg-
mol/sec
Tray.Fv
Vapor product mole flow rate
Vapor product mole flow rate to the tray above.
DD0 No
kg-
mol/sec
Tray.Hl
Liquid product enthalpy
Liquid product mole enthalpy to the tray below.
DD1 No
kJ/kg-
mol
Tray.Hv
Vapor product enthalpy
Vapor product mole enthalpy to the tray above.
DD1 No
kJ/kg-
mol
Tray.MWl
Liquid product molecular weight
Liquid product molecular weight to the tray below.
DD1 No
Tray.MWv
Vapor product molecular weight
Vapor product molecular weight to the tray above.
DD1 No
Tray.Pl
Liquid product pressure
Liquid product pressure to the tray below.
DD101.325No kPa
Tray.Pv
Vapor product pressure
Vapor product pressure to the tray above.
DD101.325No kPa
Tray.Rl
Liquid product mole density
Liquid product mole density to the tray below
DD1 No
kg-mol/
mP
3
P
Tray.Rv
Vapor product mole density
Vapor product mole density to the tray above
DD1 No
kg-mol/
mP
3
P
Tray.Tl
Liquid product temperature
Liquid product temperature to the tray below.
DD298.15 No K
Tray.Tv
Vapor product temperature
Vapor product temperature to the tray above.
DD298.15 No K
Tray.VFl
Liquid product vapor mole fraction
Liquid product vapor mole fraction to the tray
below.
DD0 No fraction
Tray.VFv
Vapor product vapor mole fraction
Vapor product vapor mole fraction to the tray
above.
DD1 No fraction
Tray.Zl
Liquid product composition
Liquid product mole composition to the tray below.
DD0 No fraction
Tray.Zv
Vapor product composition
Vapor product mole composition to the tray above.
DD0 No fraction
Tray.Ql
Heat loss from metal to ambient
Heat loss from metal to ambient. A negative value
indicates that the metal is losing heat to the
DD0 No kJ/sec
Column

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
surroundings.
Tray.Qn
Heat loss from fluid to metal
Heat loss from fluid to metal. A negative value
indicates that the fluid is losing heat to the metal.
DD0 No kJ/sec
Tray.L
Level of liquid phase
Absolute level of the first liquid phase from bottom
of tray.
DD0 No m
Tray.L2
Level of liquid2 phase
Absolute level of the second liquid phase from
bottom of tray. It is always 0.
DD0 No m
Tray.VelV
Superficial vapor velocity
Used for packed stages.
DD No m/sec
Tray.VelL
Superficial liquid velocity
Used for packed stages.
DD No m/sec
Tray.Beta
Packed liquid holdup
Liquid holdup fraction of the packed stage. Holdup
is the liquid volume divided by the packed stage
void volume.
DD No fraction

Derivatives
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
dHv
Specific enthalpy derivative
Specific enthalpy derivative used for
INCOMPRESSIBLE dynamic behavior. Will be zero
for COMPRESSIBLE dynamics where dUT is used
instead. Only COMPRESSIBLE option is available in
Column.
DD0 No
kJ/kg-
mol/sec
dMv
Total composition derivative
Derivatives of total moles for each component in the
vapor holdup.
DD0 No
Comp
Slate
kg-
mol/sec
dUTv
Total internal energy derivative
Derivative of vapor holdup internal energy calculated
from the enthalpy of all streams connected to the vapor
holdup, fluid heat stream duty, and heat loss to metal.
Only used for COMPRESSIBLE dynamics. Will be zero
for INCOMPRESSIBLE where dH is used instead.
DD0 No kJ/sec
The values below are calculated on a tray-by-tray basis.
TrayM.dM
Derivatives of total moles for each component. For
LIQUID option, it is derivatives of component moles on
liquid holdup.
DD0 No
Comp
Slate
kg-
mol/sec
TrayM.dTm
Derivative of metal temperature
Derivative of tray metal temperature. A positive value
indicates that the metal is getting hotter.
DD0 No K/sec
Column

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
TrayM.dUT
Derivative of tray internal energy calculated from the
flowing enthalpy of all streams connected to the tray,
fluid heat stream duty, and heat loss to metal. For
LIQUID option, it considers only liquid holdup.
DD0 No
kJ/kg-
mol/sec

States
Paramet
er
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Hv
Specific enthalpy state
Energy state used for
INCOMPRESSIBLE solution.
SD 0 No kJ/kg-mol
P
Pressure
Column pressure
SD 101.325 No kPa
UTv
Total internal energy state
Total internal energy state for
COMPRESSIBLE dynamics.
SD 0 No kJ
Zv
Specific composition state
Mole fraction state for each
component in the vapor holdup.
SD 0 No
Comp
Slate
fraction
The values below are calculated on a tray-by-tray basis
Tray.M
Total composition state
Array that includes the total holdup
moles of each component.
SD 1 No
Comp
Slate
kg-mol
Tray.P
Pressure
Tray pressure
SD 101.325 No kPa
Tray.Tm
Metal temperature
Tray metal temperature
SD 298.15 No K
Tray.UT Total internal energy state SD 0 No kJ
Tray.Z
Tray mole fraction for each
component
SD 1 No
Comp
Slate
fraction

States For the Vapor Holdup
Parameter
Name
Description
Dft
Cls
Dft
Val
Dft
Val
Arr
Siz
UOM
Mv
Top tray vapor holdup moles
of each component.
SD 0 No
Comp
Slate
kg-mol

Column

Topology
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
BaseProdLiquid
Liquid product stream to the base model
This stream defines the liquid product to the bottom
base model from Column bottom tray. OBASE
needs to be defined.
STREAM
BaseFeedVapor
Vapor feed stream from the base model
This stream defines the feed vapor from the bottom
base model to the Column bottom tray. OBASE
needs to be defined.
STREAM
FeedTray
Feed tray location
This is an array of tray location that corresponds to
the array of feed streams OFeedStream.
KI 1 No
OFeed
Stream

NTray
Number of trays
Total number of trays in the Column
KI 0 No
OBase
Base model name
The Base model can be used to simulate the
Column sump. The model can be a vertical Drum
or Separator with number of heads set to one. The
model is connected to Column bottom through
BaseFeedVapor and BaseProdLiquid streams.
OBJECT
OFeedStream
Feed Stream
Column feed stream. Can be connected only from
flow devices. Identifies the feed, or inlet, stream
and its associated fluid properties. This entry must
be unique to all other feed streams in the flowsheet.
However, this entry can be the same as a product
stream identifier from another unit. OFeedStream
and OProdStream cannot be the same. Any
number feed stream can be connected to the
Column.
STREAM
OProdLiquid
Liquid-port product stream
Array of Column liquid product streams from the
bottom of the bottom tray. Can be connected to
only flow devices. Identifies the product, or outlet,
stream and its associated fluid properties. This
entry must be unique to all other product streams in
the flowsheet. However, this entry can be the same
as a feed stream identifier to another flow device.
Any number of liquid product streams can be
connected from Column
STREAM
OProdStream
Product Stream
Column product stream. Can be connected to only
flow devices. Identifies the product, or outlet,
stream and its associated fluid properties. This
the flowsheet. However, this entry can be the same
as a feed stream identifier to another flow device.
OFeedStream and OProdStream cannot be the
STREAM
Column

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
same. Any number of product stream can be
connected from Column
OProdVapor
Vapor-port product stream
Array of Column vapor product streams from the
top of the top tray. Can be connected to only flow
devices. Identifies the product, or outlet stream
and its associated fluid properties. This entry must
be unique to all other product streams in the
flowsheet. However, this entry can be the same as
a feed stream identifier to another flow device.Any
number of vapor product streams can be connected
from Column
STREAM
ProdTray
Product tray location
This is an array of tray location that corresponds to
the array of feed streams OProdStream.
KI 1 No
OProd
Stream

Legend:
Dfl Cls Default parameter class:
KB - Static Boolean
KI - Static Integer
KF - Static Float
KD - Static Double

SB - State Boolean
SI - State Integer
SF - State Float
SD - State Double

DB - Dynamic Boolean
DI - Dynamic Integer
DF - Dynamic Float
DD - Dynamic Double

Dft Val A value here indicates the parameters default value. If the parameter is static, no
value indicates that the parameter is optional unless otherwise noted.
Eq Ok An equation can be attached to the parameter if the corresponding value is Yes.
Arr Siz A value here if indicates the size of the array. No value indicates that the parameter is
not a vector.
UOM Internal units of measure.

Please refer to the Base Equipment Fundamentals section for pressure node base
parameters, flow device base parameters, and parameters associated with the flash or
reaction submodel.

Combustor


Combustor

Introduction

Combustor is a flow device that includes combustion calculations to compute the outlet
composition and temperature. Combustor can be used to supply hot flue gas to a Fired Heater. It
can also be used between a Compressor and an Expander to model a combustion turbine. It can
model supplemental firing in a Heat Recovery Steam Generator (HRSG).

The Combustor can model the following options:

Liquid or solid fuel using an ultimate analysis

Fuel gas stream utilizing fuel gas composition to calculate the outlet composition and
enthalpy

Typical fuel oil

Typical natural gas

Combustor also has the facility to link multiple streams as injection streams. These are normally
fuel streams. A separate flow device is required to connect these injection streams, which
computes the actual flow, based on the available pressure difference.

Combustor


Fundamentals

Flow Calculation

Combustor flow calculations are based on the outlet flash density determined at the outlet
pressure. Please refer to Base Equipment Fundamentals section on Flow Conductance for more
details on forward and reverse flow calculations.

Combustion Calculations

The Combustor comprises of four fuel types.

Feed Components: The Combustor uses the combustible components in the feed stream
to perform the combustion calculations. Heat of combustion is calculated from data for each
of these components obtained from modular thermo

Natural Gas: The combustion assumes a typical natural gas fuel with a composition of 95
mole percent methane and 5 mole percent ethane

Fuel Oil: The Combustor assumes a typical fuel oil with 87 weight percent carbon and 13
weight percent hydrogen. The lower heating value is 45000 kJ/kg

Ultimate: The Combustor allows the user to enter an ultimate analysis that includes
atomic weight fractions for carbon, hydrogen, oxygen, nitrogen, sulfur, and moisture (liquid
water). The user has the option to specify the lower heating value.

Combustor requires that the following required components exist in the component slate: OB
2
B, NB
2
B,
COB
2
B, HB
2
BO. If sulfur is included in an ultimate analysis or HB
2
BS is one of the components in the
fuel gas, SOB
2
B is also an required component in the component slate.

A serious error message will be reported if a required component is missing.

The heat of combustion obtained from modular thermo is at reference temperature of 25 P
0
PC. To
correct this to the reaction temperature, a reference PT flash is done at 25 P
0
PC and at a reference
pressure supplied by the user. The default reference pressure of zero indicates that the reference
flash is done at the reaction pressure. The combustion energy balance is obtained from the
following equation.

) ( ) (
Re Pr Re Pr Pr Combust fFeed Feed Feed od f od od
H H H F H H F + =

where:
FB
Prod
B - Product mole flow rate (kg-mol/sec)
FB
Feed
B - Feed mole flow rate (kg-mol/sec)
HB
Prod
B - Enthalpy of product (kJ/kg-mol)
HB
RefProd
B - Enthalpy of product at reference conditions (kJ/kg-mol)
HB
Feed
B - Enthalpy of feed (kJ/kg-mol)
HB
RefFeed
B - Enthalpy of feed at reference conditions (kJ/kg-mol)
HB
Combust
B - Heat of combustion (kJ/kg-mol)
Combustor


Fuel Flow Calculations

The Combustor uses an internal fuel supply, when the fuel type Natural Gas, Fuel Oil, or
Ultimate, is selected. When using one of these fuel types, it is not required to specify any
external fuel streams to the Combustor, or place any combustible components in the feed streams.
The Combustor calculates the fuel flow from an external input fuel flow command. If the flow
calculated based on fuel flow command exceeds the theoretical amount of fuel, which can be
burnt based on available oxygen, then the latter is used as the actual fuel flow.

) , (
l Theoritica FuelMax Fuel
W W Pos MIN W =

where:
Pos - Fuel flow command (fraction)
WB
Fuel
B - Fuel mass flow (kg /sec)
WB
FuelMax
B - Maximum fuel flow (kg/sec)
WB
Theoritical
B - Maximum theoretical fuel flow based on available oxygen (kg/sec)

When using fuel type of Feed Components, the Combustor identifies the combustible components
in the feed stream based on heat of combustion to perform the combustion calculations.

Select this fuel option for one of these conditions:

Combustible components in the primary feed stream that is mixed with oxygen

An injection fuel stream.

When using an injection stream the Combustor behaves as an Explicit pressure node for this
specific stream only. The pressure for this stream is set by the Combustor based on the exit
pressure in the last integration time step.

Pilot Light

The parameter Flame indicates that ignition is taking place in the Combustor. The Combustor
will flame out under the following conditions and the value of the parameter Flame will be set to
zero.

If fuel type is Feed Components and the sum of all of the combustible component flows
is less than WFlameOut

If the fuel type is Ultimate, Natural Gas, or Fuel Oil and WFuel is less than WFlameOut.

Once Flame is set to zero, combustion will not occur until the Pilot is reset. During flameout
conditions, combustible material in the feed stream will pass straight through the burner.
However, if the fuel type is Fuel Oil, Natural Gas or Ultimate, fuel will not flow to the burner
even with a positive value of Fuel flow command, Pos. This is because there is no mapping of
components in the component slate to these fuel types.

Combustor


Boundary Specification

There are two different boundary conditions that can be set in Combustor:

Temperature: The exit stream properties are calculated by doing a PT flash

Enthalpy: The exit stream properties are calculated by doing a pressure-enthalpy flash.

Since combustor is a flow device, it does not permit the boundary pressures to be set. When the
boundary conditions are set, the energy balance will not be satisfied. These boundary conditions
should be used only for simulation tuning and debugging. If no boundary specification is to be
set, then the parameter BoundarySpec should be set to None.

Combustor


Examples

Example 1

In this example a fuel gas stream is combined with an air stream. Since the Combustor
recognizes the gas fuel in the feed stream S5, an ultimate analysis is not required and FuelType
should be set to Feed Components.

Example 2

In this example a fuel gas stream is connected as an injection stream to the Combustor while the
air stream is connected as the regular feed stream. Since the Combustor recognizes the gas fuel in
the injection stream S4, FuelType should be set to Feed Components. Note that the fuel stream
S4 is connected from another flow device XV2, which computes the fuel flow.

Combustor


Example 3

In this example, a burner is set to use the natural gas feed. The fuel type is set to Natural Gas.
The Valve position Pos is linked with a connector to the burner fuel command Pos. The fuel flow
will be (WFuelMax * Pos) limited by availability of oxygen for combustion.

Example 4

In this example, a burner is set to use the typical fuel oil. The fuel type is set to Fuel Oil. The
fuel oil distribution system is also modeled as a separate pressure flow network. To link the fuel
flow to the pressure in the burner flow network, the Sink pressure is set to the pressure in the
burner network Header H1 using a parameter reference. The fuel flow command Pos is
calculated from the fuel flow in stream S7 and the maximum fuel flow using an equation.

Combustor



Basic Tab

The flow conductance corresponds to the J parameter for the Combustor. This value can be
calculated from the desired steady state flow and the pressure drop. The user may have to adjust
this value based on an initial trial to obtain the desired results.

The reverse flow conductance factor corresponds to the KJr parameter. If no reverse flow is
desired, then set this value to 0, otherwise leave it at the default value of 1.

Combustor


Combustion Tab

The minimum fuel flow corresponds to the WFlameOut parameter for the Combustor and this is
applicable for all fuel types.

Fuel

The maximum fuel value corresponds to the WFuelMax parameter for the Combustor and this is
used for fuel types of Fuel Oil, Ultimate and Natural Gas. The user may have to adjust this value
based on an initial trial to obtain the desired results.

The lower heating value corresponds to the LHV parameter. If this parameter is not specified,
the default values will be used based on the fuel type.

Ultimate Analysis Weight Fractions

The ultimate analysis weight fractions have to be specified if the fuel type selected is Ultimate.
Combustor



The Boundary Conditions Tab is used for setting boundary conditions in Combustor. They
should be used only for simulation tuning and debugging, and should not be left in place as it
leads to energy imbalance.

Energy Specification

Energy specification option corresponds to BoundarySpec. T and H boundary conditions can be
set for temperature and enthalpy. The default value of None should be used after model tuning.

Boundary Temperature and Enthalpy correspond to the parameters Tb and Hb respectively.
Appropriate value should be set based on the selection of energy specification option.
Combustor


External Inputs Tab


Fuel Flow

Fuel flow command refers to the Pos parameter and it is used only for fuel types of Fuel Oil,
Natural Gas and Ultimate.

Pilot

Pilot command refers to the Pilot parameter.

Combustor


Thermo Tab

Thermo Options

parameter, Local thermo options to the LocalThermoOption parameter, and Local flash option
to the LocalFlashOption. To avoid having to set these parameters for each new equipment on the

Phase Options

performed by SIM4ME Thermo.
Combustor


Notes Tab

Combustor


Parameter Table
Basic
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
E
Relative elevation
Elevation relative to a reference point in simulation.
KD0 No m
J
Flow Conductance
Flow conductance defined by the equation W = J * sqrt
(P * R) where W is mass flow, P is pressure drop, and
R is mass density in internal units.
KD0.01 Yes
(kg/sec)/
sqrt (kPa-
kg/mP
3
P)
KJr
Reverse flow conductance factor
This factor represents the fraction of the forward flow
conductance available for reverse flow. A value of zero
will make the conductance device act like a check valve.
KD1 Yes fraction

Combustion
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FuelType
Type of Fuel
0 = FEED_ COMPONENTS
1 = NATURAL_ GAS
2 = FUEL_ OIL
3 = ULTIMATE
FEED_COMPONENTS indicate that a
compositional analysis of the feed stream or
injection stream. NATURAL_GAS indicates
typical natural gas fuel very rich in methane.
FUEL_OIL indicates a typical fuel oil stream.
ULTIMATE indicates that an ultimate analysis
is supplied.
KI
FEED_
COMPONENTS
No
LHV
Fuel lower heating value
Default values are available for all fuel if not
specified. Does not apply to Feed Components
KD Yes kJ/kg
RefPres
Reference pressure
Reference pressure of 0 indicates that
reference flash is done at combustion pressure
and 25 P
0
PC. Do not set this value below 1 kPa
even when a lower pressure is required.
KD0 No kPa
WFlameOut
Minimum flame flow
A flow of combustible material below this
value will result in a loss of ignition.
KD0.001 Yes kg/sec
WFuelMax
Maximum fuel flow
Fuel flow calculated from Pos*WFuelMax.
Not used for Feed Components.
KD1 Yes kg/sec
XCarbon
Ultimate carbon weight fraction
This value comes from a fuel ultimate analysis
KD0.87 Yes fraction
Combustor


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
and defines the weight fraction of atomic
carbon in the fuel. Value will be normalized.
XHydrogen
Ultimate hydrogen weight fraction
hydrogen in the fuel. Value will be
normalized.
KD0.13 Yes fraction
XNitrogen
Ultimate nitrogen weight fraction
nitrogen in the fuel. Value will be normalized.

KD0 Yes fraction
XOxygen
Ultimate oxygen weight fraction
oxygen in the fuel. Value will be normalized.

KD0 Yes fraction
XSulfur
Ultimate sulfur weight fraction.
and defines the weight fraction of atomic sulfur
in the fuel. Value will be normalized.
KD0 Yes fraction
XWater
Fuel moisture weight fraction
This value represents the amount to water
moisture in the fuel. The gross heating value
(GHV or HHV) is used to calculate the energy
to vaporize the water.
KD0 Yes fraction

Boundary Condition
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
BoundarySpec Boundary Specification Option
-1 = NONE
1 = T
2 = H
Boundaries are applied in either direction of flow.
KI NONE No
Hb Boundary enthalpy
Boundary enthalpy is applied if BoundarySpec is equal
to H. Applied in either direction of flow.
KD Yes
kJ/kg-
mol
Tb Boundary temperature
Boundary temperature is applied if BoundarySpec is
equal to T. Applied in either direction of flow.
KD Yes K

Combustor


External Inputs
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Pos Fuel flow command
This parameter sets the flow of fuel oil based on
Pos*WFuelMax.
DD 1 Yes fraction
Pilot Pilot light command
If set to true, the pilot is lit, and the flame will come on when
fuel is introduced.
DI 0 Yes

Calculated Values
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
WFuel
Fuel Flow
Fuel flow calculated from Pos*WFuelMax. Not used for
FuelType = Feed Components
DD0. No kg/sec
Q
Combustion duty
Combustion duty from burning fuel.
DD No kJ/sec
FSecondary
Secondary flow rate
Secondary flow rate is equal to the change in the feed molar
flow rate due to reaction. In case of Combustor, it is the sum
of injection flow rate and molar flow rate due to reaction.
DD No
kg-
mol/sec

States
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Flame Flame ignition state
If false, burner is not lit and combustion will not occur. Flame
is always true if combustion occurs. This turns from true to
false when there is no fuel flow during flame out condition.
SI 0 No

Topology
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
OFeedStream
Feed Stream
Combustor feed stream. Identifies the feed, or inlet,
stream and its associated fluid properties. This entry
must be unique to all other feed streams in the
flowsheet. However, this entry can be the same as a
product stream identifier from another unit.
OFeedStream and OProdStream cannot be the same.
Only one feed stream can be connected to the flow
devices.
STREAM
OProdStream
Product Stream
Combustor product stream. Identifies the product, or
outlet, stream and its associated fluid properties. This
STREAM
Combustor


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
the flowsheet. However, this entry can be the same as
a feed stream identifier to another unit. OFeedStream
and OProdStream cannot be the same. Only one
product stream can be connected from the flow
devices.
OInjStream
Vector of Injection Streams
This represents the vector of injection streams. This
can be used for connecting fuel gas and pilot gas to
the Combustor. Need to be connected from another
flow device.
STREAM

Legend:
KB - Static Boolean
KI - Static Integer
KF - Static Float
KD - Static Double

SB - State Boolean
SI - State Integer
SF - State Float
SD - State Double

DF - Dynamic Float
DD - Dynamic Double

not a vector.

reaction submodel.

Compressor


Compressor

Introduction

Compressor is a flow device that is used to model a centrifugal compressor. The Compressor
calculates the head based on the pressure differential across it. The volumetric flow rate is
interpolated from the user provided performance curve, based on the calculated head. Power is
calculated from the user provided efficiency.

The Compressor performance is characterized by a cubic spline or linear curve fit and may be
specified by either entering three or more points from the manufacturer characteristic curve (head
vs. volumetric flow) or entering one design point (head and volumetric flow) and using a default
curve. The parameters DHScale and QScale are used to scale the Compressor performance. The
fan laws scale the Compressor curve with speed. As an alternative to fan laws to represent
performance at difference speeds, users may also specify multiple performance curves for
different compressor speeds. The curve is also modified with change in inlet guide vane (IGV)
position.

There are three operating regions for a Compressor,

Normal Compressor operation where the head is always positive

Surge condition that occurs at low flow or high head. Furthermore, reverse flow can
result when the head developed is not sufficient enough to compress the fluid against the
discharge pressure

Stonewall begins where the last performance curve point is provided and is modeled past
the point where the suction pressure is higher than the discharge pressure

Compressor can indicate when its in surge. However, the model is designed to perform smoothly
in the surge region and does not exhibit any sudden flow instability when entering surge.

Compressor calculates the shaft power, fluid flow, and fluid enthalpy rise. The speed is
calculated externally from a Shaft or Motor and is transferred to the Compressor by a mechanical
stream. The Compressor sets the power required in the mechanical stream. Alternatively, speed
can be fixed.

Compressor does not include either fluid or metal thermal holdup.

Compressor


Fundamentals

Head Calculations

There are two methods by which the head can be calculated. The first method is the Rigorous
method that is based on isentropic assumptions using rigorous thermodynamic method calls. The
second method is called the GPSA method that uses direct equation based on the methods in the
GPSA handbook.

Rigorous Method

In this method the head and power are calculated assuming isentropic compression of the fluid.
The isentropic efficiency is then used to determine the actual head, power consumed and
Compressor exit temperature.

A pressure-enthalpy flash is performed on the Compressor inlet pressure PB
i
B, and enthalpy HB
i
B to
obtain the inlet entropy SB
i
B. A pressure-entropy flash is then performed on the Compressor exit
pressure PB
x
B and entropy SB
x
B (which is equal to the inlet entropy SB
i
B since isentropic conditions
assumed), to calculate the isentropic exit enthalpy HB
isen
B.

The actual enthalpy change is calculated based on the isentropic efficiency.

ETA
H H
H
isen i

=

where:
ETA - Isentropic efficiency of the Compressor (fraction)
HB
i
B - Inlet enthalpy (kJ/kg-mol)
HB
isen
B - Exit enthalpy based on isentropic expansion (kJ/kg-mol)

The head across the Compressor is calculated as follows:

MW
H H
DH
isen i

=

where:
MW - Molecular weight (kg/kg-mol)
DH - Head (kJ/kg)

The actual exit enthalpy of the Compressor is calculated as follows:

H H H
i x
=

where:
HB
x
B - Actual exit enthalpy (kJ/kg-mol)

The Compressor exit temperature is calculated, by performing a pressure-enthalpy flash on exit
pressure PB
x
B and actual exit enthalpy HB
x
B.

Compressor


GPSA Method

In this method a direct equation is used to estimate the head across the Compressor. It uses the
compressibility factor, specific heat ratio and ratio of inlet and exit pressures for estimating the
head. The head across the Compressor is calculated as follows:

ETA MW
H
DH
P
P
C C
C C
T UGC Z
H
R T UGC
P
Z
V P
V P
C C
C C
i
x
V P
V P
i
f i
i

=

=

1
/
1 /
/
1 /

where:
CB
P
B/CB
v
B - Ratio of specific heats
DH - Head (kJ/kg)
ETA - Compressor efficiency (fraction)
PB
i
B - Suction pressure (kPa)
PB
x
B - Discharge pressure (kPa)
RB
f
B - Upstream stream density (kg-mol/mP
3
P)
TB
i
B - Upstream temperature (K)
UGC - Universal gas constant (8.3147 kJ/kg-mol/K)
Z - Compressibility factor (dimensionless)
H - Change in enthalpy (kJ/k-mol)

The power consumed by the Compressor is zero for stonewall and reverse flow cases.

Power Calculations

The mechanical shaft power required for any Compressor is determined by using the following
relationship.

MW F DH Power =

where:
DH - Head (kJ/kg)
F - Flow (kg-mol/sec)
Power - Power consumed by the Compressor (kW)

Compressor


Flow Calculations

The performance curve is used to interpolate the values of volumetric flow (Q) based on the head
(DH) using a cubic spline or linear interpolation method. Prior to interpolation, the Q and DH
data points are scaled and adjusted by corresponding scaling factors, inlet guide vane position and
speed. The details about the performance curve scaling will be discussed in the next section.

) (DH urve rformanceC AdjustedPe Q=

where:
DH - Head at operating speed (kJ/kg)
Q - Flow rate at operating speed (mP
3
P/sec)

Default Performance Curve

The Compressor has a default normalized performance curve that can be modified by the scaling
parameters to match the actual compressor capacity. There are a total of ten points in the default
curve. The user has to specify the design flow and head with the parameters QScale and DHScale
respectively. These values are used to scale the default performance curve, with the fifth point
representing the design point at the reference speed.

QData DHData
0.6 1.187
0.7 1.147
0.8 1.114
0.9 1.0625
1.0 1.0
1.1 0.9279
1.2 0.8474
1.3 0.75
1.4 0.62
1.6 0.24

The following example shows how two sets of values can vary the shape of the curve for QScale
and DHScale.

Compressor


Default performance curve
0
50
100
150
200
250
300
0 1 2 3 4 5 6
Volumetric flow
H
e
a
d

Qscale - 2, DHScale : 200
QScale - 3, DHScale - 150

User Defined Performance Curve

The user can input the Compressor curve data if available. The minimum number of data points
that the user has to provide is three. Dynsim ensures that the performance curve is monotonic as
required by the pressure flow solver. If user has provided non-monotonic performance curve,
then the curve is modified to a monotonic curve based on the parameters KHMin and KHMax.
The end points will be automatically generated if not provided.

User defined performance curve
0
0.2
0.4
0.6
0.8
1
1.2
1.4
0 0.5 1 1.5 2
Volumetric Flow
H
e
a
d
Entered Data
Adjusted Data

Performance Curve Adjustments to a Single Curve

The parameters QScale and DHScale adjust the performance curve accordingly. When using the
user-defined curve, either the curve data can include the actual curve values and the scale
parameters can be one, or the curve can be normalized and the scale data can include design or
Compressor


operating conditions. What is important is that the product of the curve data and the scale
parameters equal the user-desired curve.

Both the default curve and the user-entered curve can be adjusted for speed and inlet guide vane
position. Since the performance curve data QData and DHData are dimensionless, the UOM of
the performance curves are solely specified by the scale parameters QScale and DHScale. In
addition, the performance curves are adjusted for different speeds based on the reference speed
and the performance curves for speed change is based on the fan laws by default.

( )
( )
ETAData ETAScale AData AdjustedET
Speed
Speed
Pos DHData DHScale Data AdjustedDH
MW
MW
Speed
Speed
Pos QData QScale ata AdjustedQD
HSExp
ref
HGExp
QMExp
ref
f
QSExp
ref
QGExp
=
=

where:
DHData - Performance curve head data (dimensionless)
DHScale - Head scaling factor (kJ/kg)
HGExp - Exponent of head for inlet guide vane position
HSExp - Exponent of head for speed
ETAData - Performance curve efficiency data (dimensionless)
ETAScale - Performance curve efficiency data (fraction)
Pos - Inlet guide vane position (fraction)
QData - Performance curve flow data (dimensionless)
QScale - Flow scaling factor (mP
3
P/sec)
QSExp - Exponent of flow for speed
QGExp - Exponent of flow for inlet guide vane position
Speed - Compressor operating speed (rpm)
SpeedB
ref
B - Compressor reference speed (rpm)
MWB
f
B - Molecular weight of inlet stream
MWB
ref
B - Reference molecular weight
QMExp - Exponent of flow for molecular weight

The default value for HSExp is 2 and for QSExp is 1, which is typical, fan laws values. The user
can change these coefficients if they are not suitable for their case.

Multiple Curves

If the user provides multiple curves, the fan laws are not used to predict performance as a
function of Speed. Rather, a spline is used to predict the adjusted curve.

Compressor


( )
( )
)
... ...
2 SpeedRef2
1 SpeedRef1
SpeedRef
, (
)
... ...
2 SpeedRef2
1 SpeedRef1
SpeedRef
, (
)
... ...
2 SpeedRef2
1 SpeedRef1
SpeedRef
, (
=
ETAData
ETAData
ETAData
Speed Function ETAScale AData AdjustedET
DHData
DHData
DHData
Speed Function Pos DHScale Data AdjustedDH
QData
QData
QData
Speed Function Pos QScale ata AdjustedQD
HGExp
QGExp

Surge Conditions

The surge conditions are specified by defining the surge flow at design speed. The line
connecting the surge point and the origin is the surge line. The region to the right of the surge
region is normal operating region and to the left of the surge line is the surge region. The surge in
Compressor is indicated by the parameter Surge, whose value goes from false to true when the
operating point enters the surge region.

Compressor


Surge Line
0
50
100
150
200
250
300
0 1 2 3 4
Volumetric Flow
H
e
a
d
Compressor curve
Surge Line

Stonewall Flow and Reverse Flow

Stonewall flow

The condition when forward flow through a Compressor does not increase with decreasing
discharge pressure is known as stonewall. Stonewall can be modeled by introducing a steep
curve at high volumetric flow rates. When the suction pressure is greater than discharge pressure,
the flow at zero head is obtained from Compressor performance curve and the flow due to
pressure drop is calculated based on the flow conductance.

MW
MW R P
J F F
Q R F
f
f

+ =
=
0
0 0

where:
FB
0
B - Flow at zero head (kg-mol/sec)
RB
f
B - Upstream density (kg-mol/mP
3
P)
QB
0
B - Flow at zero head obtained from Compressor curve (mP
3
P/sec)
F - Stonewall flow (kg-mol/sec)
J - Flow conductance ((kg/sec)/sqrt(kPa-kg/mP
3
P))
P - Pressure difference across the Compressor (kPa)

This same approach is used to model forward flow through the Compressor when it is not
operating and the FB
0
B is zero.

Compressor


Reverse Flow

Reverse flow through the Compressor occurs when the Compressor is not operating and the
discharge line pressure is much higher than the suction line pressure or when the Compressor is
operating and the head developed is not sufficient enough forward flow against the discharge
pressure and the Compressor is in surge.

Reverse flow is calculated assuming the Compressor behaves like any other flow device. The
conductance equation is used to calculate the flow under these conditions.

MW
MW R P
KJ J F
P P P P
f
r
x i

=
+ =
0

where:
P - Pressure difference across the Compressor (kPa)
PB
i
B - Compressor suction pressure (kPa)
PB
x
B - Compressor discharge pressure (kPa)
PB
0
B - Pressure difference at zero flow (kPa)
3
P))
KJr - Reverse flow conductance factor (fraction)
RB
f
B - Inlet density (kg-mol/mP
3
P)

Reverse flow through a non-operating Compressor is adjusted using the KJr factor. This
parameter is normally zero and should be increased to allow reverse flow.

Flash Calculations

Compressor has three flashes, FeedFlash, IsenFlash, and Flash.

FeedFlash determines the entropy to use for the IsenFlash when the CalcMethod is Rigorous.
FeedFlash is always applied to the inlet stream regardless of the direction of flow.

IsenFlash determines the entropy at the discharge pressure when Rigorous method is used for
head calculation. It is not used for GPSA method.

Flash determines the exit stream properties. In the case of flow reversal, it determines the inlet
stream properties. Flash is always active so that the temperature, density, and vapor fraction from
the Compressor are always calculated and not passed on from the previous equipment model.

Compressor


Example

The following example shows the configuration of a single stage centrifugal air Compressor (K1)
using default performance curve. Air enters the Compressor at 110 kPa and leaves at 3000 kPa.
The flow rate of air is 360 mP
3
P/hr at design. The operating speed of the Compressor is 3000 rpm
and it has an efficiency of 0.6. Compressor surges for flow below 36 mP
3
P/hr. The Source for air is
at 120 kPa and 300 K. There is a Valve (XV1) at the suction of the Compressor and a Header
(H1) followed by a discharge valve (XV2) downstream.

Since a default performance curve is used only one design point need to be mentioned which is
set through the scaling parameters, therefore QScale is 360 mP
3
P/hr and DHScale is 469 kJ/kg. The
reference speed and the operating Compressor speed are set at 3000 rpm. The default calculation
and interpolation method can be used. The suction Valve is sized for pressure drop of 10 kPa and
100% opening at design flow, therefore it has a Cv of 46. The discharge Valve is sized for a
pressure drop of 10 kPa and 100% opening at design flow, therefore has a Cv of 17.

SOURCE: AIR
OProdStream[0] S1 Source product stream connecting to Valve XV1
Mb[AIR] 1 fraction Boundary composition
Spec PT Boundary condition specification
Tb 300 K Boundary temperature

VALVE: XV1
OFeedStream S1 Valve feed stream connecting from Source AIR
OProdStream S2 Valve product stream connecting to Compressor K1
Cv 46 Valve Cv

Compressor


COMPRESSOR: K1
OFeedStream S2 Compressor feed stream connecting from
Valve XV1
OProdStream S3 Compressor product stream connecting to
Header H1
CalcMethod RIGOROUS Compressor head calculation method
Interpolation
Method
LINEAR Performance curve interpolation method
Qscale 360 mP
3
P/hr Scale factor for flow
DHScale 469 kJ/kg Scale factor for head
ETAScale 0.6 fraction Scale factor for efficiency
SpeedRef 3000 rpm Reference speed
QSurge 36 mP
3
P/hr Surge flow rate
J 0.01 (kg/sec)/sqrt
(kPa-kg/mP
3
P)
Flow conductance at zero Compressor speed
KJr 1 fraction Reverse flow conductance factor
Speed 3000 rpm Operating speed of the Compressor

HEADER: H1
OFeedStream[0] S3 Header feed stream connecting from
Compressor K1
OProdStream[0] S4 Header product stream connecting to Valve
XV2
Vol 60 mP
3
P Header volume
GeomSpec DERIVED Specifies the geometric specification selected
Area 25 mP
2
P Area
Mm 1000 kg Metal mass
DynamicsOption COMPRESSIBLE Dynamics option selected
SolutionOption SIMULTANEOUS Solution option selected

VALVE: XV2
OFeedStream S4 Valve feed stream connecting from Header H1
OProdStream S5 Valve product stream connecting to Sink SINK1
Cv 17 Valve Cv

SINK: SINK1
OFeedStream[0] S5 Valve XV2 product stream to Sink

Compressor



Basic Tab

Compressor Design Conditions

The flow curve scale corresponds to the QScale parameter. To configure the default performance
curve, set the design flow with this parameter. It is also used for scaling user defined
performance curve if one is provided.

The head curve scale corresponds to the DHScale parameter. To configure the default
performance curve, set the design head value with parameter. It is also used for scaling user
defined performance curve if one is provided.

Compressor


The efficiency curve scale corresponds to the ETAScale parameter. The default efficiency curve
assumes a uniform efficiency of 1. It can be used to scale the default curve or user defined
efficiency curve.

The reference Shaft speed corresponds to the SpeedRef parameter. The design speed of the
Compressor is set here. It is used in adjusting the Compressor curves based on fan laws. The
actual value is only required if speed is set by a Motor or Shaft using a mechanical stream.

Surge Indication

The surge flow point corresponds to the QSurge parameter. Set this value according to where the
surge line intersects the performance curve at the reference speed.

Zero Speed Operation

The flow conductance corresponds to the J parameter. The Compressor performs like any simple
flow device when operating at zero speed. The default value can be used if the flow at zero speed
is not important.

The reverse flow factor corresponds to the KJr parameter. If there is a check valve in line with
the Compressor, use a default value of zero.
Compressor


Curves Tab

Use default curve corresponds to the UseDefaultCurve parameter. Check this box to use the
default performance curve. The design flow and head can be set through the parameters QScale
and DHScale when default curve is used.

When the check box to use default performance curve is not checked, the user specified
performance curve could be set for the base curve at the reference speed specified on the Basic
Tab. The flowrate, head and efficiency correspond to the parameters QData, DHData and
ETAData, respectively. A minimum of three data points should be specified. The user can add
more points by adding new rows to the existing table. It is not possible to specify the UOM of
the QData, DHData, and ETAData curves because the curve UOM is defined by the scale
parameters on the Basic tab.

If the number of additional curves is not zero, the user must specify an additional curve speed
reference and data for the additional curves as well. The number of additional curves corresponds
to the NAddCurves parameter. The reference Speed, flowrate, head, and efficiency curves for
Compressor


the additional curves correspond to the SpeedRefN, QDataN, DHDataN, and ETADataN
parameters, where N refers to the number of the additional curve.

The parameters QScale, DHScale, and ETAScale adjust the default curve or the user-defined
curve. Either the curve data can be normalized or the scale values can be normalized. What is
important is that the product of the curve data and the scale parameters equal the user-defined
curve.

Compressor


Solution Options Tab

Calculation Options

The calculation method corresponds to the CalcMethod parameter. In Rigorous method the head
is calculated based on isentropic flash calculations. In GPSA method, the head is calculated by a
direct formula from the GPSA handbook.

The interpolation method corresponds to the InterpolationMethod parameter. If the number of
user-defined points is less than five, Cubic Spline should be preferred over Linear.

Compressor


External Input Tab


External Speed Calculation

Shaft speed corresponds to the Speed parameter. No entry is required if the Compressor is
connected with a mechanical stream.
Compressor


Thermo Tab

Thermo Options

to the LocalFlashOption. To avoid having to set these parameters for each new equipment on
the flowsheet, specify the defaults in the SIM4ME thermo GUI.

Phase Options

performed by SIM4ME Thermo. The default value is VLE. However, Compressor execution
speed should be faster if this parameter is changed to Vapor.

Compressor


Notes Tab

Compressor


Parameter Table
Basic
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
CalcMethod
Head Calculation Method
0 = RIGOROUS
1 = GPSA
In RIGOROUS method the head is calculated based
on isentropic flash calculations. In GPSA method,
the head is calculated by a direct formula from the
GPSA handbook.
KI
RIGOROUS

CpCv
Cp to Cv ratio
The ratio of specific heats used for determining
head when using GPSA method.
KD1.4 Yes
DHScale

Scale factor for head in performance curve
DHScale multiplied by the DHData array define the
performance curve head data. If DHData and
QData are not specified, DHScale defines the
normal operating head using the default internal
performance curve.
KD1 Yes

kJ/kg

ETAScale
Scale factor for efficiency curve
ETAScale multiplied by the ETAData array define
the Efficiency curve data. If QData and ETAData
are not specified, ETAScale defines the normal
operating efficiency using the default internal
performance curve.
KD1 Yes fraction
J
Flow Conductance at zero speed
Flow conductance defined by the equation W = J *
sqrt (P * R) where W is mass flow, P is pressure
drop, and R is mass density in internal units.
KD0.05 Yes
(kg/sec)/
sqrt(kPa-
kg/mP
3
P)
KJr
Reverse flow factor
This factor represents the fraction of the forward
flow conductance available for reverse flow. A
value of zero will make the conductance device act
like a check valve.
KD0 Yes fraction
QScale
Scale factor for volumetric flow in performance
curve
QScale multiplied by the QData array define the
performance curve volumetric flow data. If
DHData and QData are not specified, QScale
defines the normal operating flow using the default
internal performance curve.
KD1 Yes mP
3
P/sec
QSurge
Surge flow rate
QSurge must be specified for surge prediction. A
straight line is drawn from this point to the origin
(zero flow and zero head) to predict surge at other
speeds).
KD 0 mP
3
P/sec
Compressor


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
SpeedRef
Shaft speed reference
This is the reference speed used by the performance
curve. Performance at other speeds is predicted
using the fan laws.
KD3600 Yes rpm

Curves
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
DHData
Performance curve head data at reference speed
DHScale multiplied by the DHData array define
the performance curve head data. If DHData
and QData are not specified, default internal
curve will be used.
KD0
User
Defined

ETAData
Efficiency curve data at reference speed
ETAScale multiplied by the ETAData curve
represents the efficiency points of the efficiency
curve. If ETAData is not specified, ETAScale
defines a constant efficiency.
KD1
User
Defined

Interpolation
Method
Interpolation method
0 = CUBICSPLINE
1 = LINEAR
If the number of user-defined points is less than
five, CUBICSPLINE should be preferred over
LINEAR..
KI LINEAR
QData
Performance curve volumetric flow data at
reference speed
QScale multiplied by the QData curve
represents the flow portion of the performance
curve. If DHData and QData are not specified,
default internal curve will be used.
KD0
User
Defined

UseDefaultCurve
Use default curve
Flag to use default performance curve. The
user can use the built in performance curve by
specifying the operating point against the flow
and head scaling parameters. If this flag is not
checked, the user must set the performances
curve.
KI 1
SpeedRefN
Additional Curve Ref Speed
Reference speed corresponding to each
additional performance curve
KD3600 No
NAddCurves
Number of Additional Curves
Number of compressor curves. Default is one.
If greater than 1, additional QDataN,
DHDataN, and ETADataN curves are created
where N is the additional curve number.
KD0 No
Compressor


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
QDataN
Additional volumetric flow curve
QScale multiplied by the QData curve
represents the flow portion of the performance
curve. If DHData and QData are not specified,
QScale represents the reference flow using the
default internal performance curve
KD0 Yes
User
Defined

DHDataN
Additional head curve
DHScale multiplied by the DHData array define
the performance curve head data. If DHData
and QData are not specified, DHScale defines
the normal operating head using the default
internal curve.
KD0 Yes
User
Defined

ETADataN
Additional efficiency curve
ETAScale multiplied by the ETAData curve
represents the efficiency points of the
performance curve. If EFFData is not
specified, ETAScale defines a constant
efficiency.
KD1 Yes
User
Defined

External Inputs
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Speed
Shaft speed
When no mechanical stream is connected the user can set
the speed directly or through parameter referencing. This
value is set by a Shaft or Motor if a mechanical stream is
connected to the Compressor.
DD3600 Yes rpm
Pos
Inlet Guide Vane (IGV) position
Refer to FAQ section for detailed information on IGV
position.
DD1 Yes fraction

Advanced
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
ESExp
Exponent for speed on efficiency
Exponent used in the equation for the performance curve
adjustments
KD0 Yes
HSExp
Exponent of head for speed
adjustments
KD2 Yes
KHMax
Maximum slope of the curve
The performance curve may be adjusted by this value to
ensure that the actual curve used by the model is monotonic.
A higher value leads to a steeper curve near the zero head
range that can lead to potential pressure flow convergence
problems.
KD3 Yes
Compressor


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
KHMin
Minimum slope of the curve
The performance curve may be adjusted by this value to
ensure that the actual curve used by the model is monotonic.
A lower value defines a flatter curve near the zero flow
range that can lead to potential pressure flow convergence
problems.
KD0.15 Yes
QSExp
Exponent of flow for speed
adjustments
KD1 Yes
HGExp
Exponent of head for inlet guide vane position
adjustments
KD1 Yes
QGExp
Exponent of flow for inlet guide vane position
adjustments
KD1 Yes
FGMin Fraction of flow at zero inlet guide vane (IGV) position KD0.1 Yes fraction
QMExp
Exponent of flow for molecular weight
QMExp and MWRef can be used to scale the compressor
performance curve for significant changes in molecular
weight based on vendor or experimental data. Ideally,
compressor curves should not require molecular weight
adjustment and can use the default value of zero.
However, at high velocity conditions a value between 0 and
0.5 may be appropriate.
KD0.0 Yes
MWRef
Reference molecular weight
MWRef with QMExp can be used to scale the compressor
performance curves for significant changes in molecular
weight based on experimental data. If QMExp is not default
value of zero, you should enter the molecular weight of the
fluid used for the compressor curve. Refer to the extended
description of the QMExp parameter.
KD Yes

Calculated Values
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
DH Compressor head DD 0 No kJ/kg
ETA
Compressor efficiency
Compressor isentropic efficiency for RIGOROUS option, and
polytropic efficiency for GPSA.
DD 1 No fraction
Power
Power from Shaft
Power required by the Compressor. This value is negative.
The power required to drive a Compressor can be obtained
from an Expander, Motor connected via a mechanical stream.
DD 0 No kW
Q
Actual volumetric flow
Actual volumetric flow through the Compressor.
DD 0 No mP
3
P/sec
Compressor


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Surge Compressor in surge indicator DB 0 No
SurgeProx
The parameter value
when not in surge equals 1,
when to the left of the surge line is > 1,
and when to the right of the surge line is < 1.
DF 1 No

Topology
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
OFeedStream
Feed Stream
Compressor feed stream. Identifies the feed, or inlet,
device.
STREAM
OMechStream
Mechanical stream
Identifies the mechanical stream and associated
mechanical properties. This entry can be same as
mechanical stream identifier to another unit. When a
mechanical stream is connected to the Shaft, the Shaft
sets the speed of the Compressor. Only one
mechanical stream can be connected from a
Compressor.
MECH
STREAM

OProdStream
Product Stream
Compressor product stream. Identifies the product,
or outlet, stream and its associated fluid properties.
This entry must be unique to all other product
streams in the flowsheet. However, this entry can be
the same as a feed stream identifier to another unit.
Only one product stream can be connected from the
flow device.
STREAM

Compressor


Legend:
KB - Static Boolean
KI - Static Integer
KF - Static Float
KD - Static Double

SB - State Boolean
SI - State Integer
SF - State Float
SD - State Double

DF - Dynamic Float
DD - Dynamic Double

not a vector.

reaction submodel.

Compressor


FAQ

Q. What are the Compressor scale parameters for?

A. If you do not have a performance curve, use the scale parameters to set the design conditions
to use the default built in curve. If you do have a Compressor curve, use the scale parameter to
adjust the performance curve without having to re-enter all the performance curve data. When
you enter your own curve, you have the option of either normalizing the curve and inputting the
design parameters in the scale values, or putting the curve in as it is and making the scale values
one. Either way, it is the product of the scale parameter and the performance curve that defines
the actual curve used by Dynsim.

Q. How do I convert a compressor or fan performance curve from differential pressure
units to the energy head units required by Dynsim? How do I convert the curve if the
performance curve is in height of actual fluid in meters or feet?

A. To convert from DP units to DH units used by Dynsim, use this relationship:

mass
R
DP
DH =
where:
DH - Head (kJ/kg)
DP - Pressure differential (kPa)
RB
mass
B - Compressor curve reference inlet density (kg/mP
3
P)

An easy way to do this is to enter the actual differential pressure curve data in the table and place
the conversion in the DHScale parameter. For example, if you have a fan with data in inches of
water at design reference inlet temperature of 77 F corresponding to an inlet density of 1.18
kg/mP
3
P, enter the curve data in the table in units of in. HB
2
BO and enter the value for DHScale as
follows:

kg kJ
O H in
kPa
m kg
O H in
R
DP
DHScale
mass
/ 211 . 0
. 8 . 406
325 . 101
/ 18 . 1
. 0 . 1
2
3
2
= = =

Please note that in. HB
2
BO is a pressure measurement since it refers to reference fluid, water and not
the actual flowing fluid.

To convert from head in height of actual fluid head, use the relationship:

1000
h g
DH

=

where:
DH - Head (kJ/kg)
g - Acceleration due to gravity (9.8 m/secP
2
P)
h - Height of fluid (m)

Compressor


An easy way to do this is to enter the actual values of h in the data table and place the value of g
in DHScale parameter.

Q. How do I start a Compressor?

A. You must attach a driver. The simplest way is to place a Motor on the canvas. Connect the
Motor to the Compressor with a mechanical stream. Specify the maximum Motor speed. When
you start the simulation, double click on the Motor to bring up its operator panel. Then press
start.

Q. How do I indicate Compressor surge on my flowsheet?

A. Put down an indicator from the widgets library and connect it to the surge parameter as
follows. In this example, the Compressor name is K1.

Q. How do I add actuator dynamics to the Compressor inlet guide vane?

A. Use a Valve model without any stream connections. This is a graphical valve that only
includes the actuator and conductance calculation portion of the Valve. Then, drag the default
connector from the Valve to the Compressor to equate the Valve Pos with the Compressor Pos.
You can now operate the Compressor inlet guide vane through the Valve.

Compressor


Q. How do I add more rows to my Compressor curve?

A. To insert additional rows in your Compressor curve table:

1. Select an existing row in the table.
2. Click either the Insert Before or Insert After buttons present on the left side of the table
(OR)
Right-click on the selected row and select the appropriate options.

The Insert Before button inserts a row on top of the selected row, while the Insert After button
inserts a row below the highlighted row. The procedure for inserting a new row is depicted below.

Fired Heater


Fired Heater

Introduction

Fired Heater models a direct-fired process heater. A process heater is a direct-fired exchanger
that uses the hot gases of combustion to elevate the temperature of feed flowing through the coils
of tubes aligned through the heater. This Fired Heater model design is provided to allow
flexibility for diverse applications in the chemical process industry such as refineries, gas plants,
petrochemicals and synthetics, olefins, ammonia and fertilizer plants. Based on the nature of
application it may be termed as a fired heater or a furnace.

Fired Heater simulates both radiant and convective heat transfer to one or more tube passes. The
flue gas side (firebox) is a pressure node with a Compressible holdup and the tube passes
(process) are flow device(s) with Incompressible holdup. Also, the firebox can include multiple
tube passes as well as multiple gas nodes. Each tube pass resides in a single gas node. Although
the pressure is the same for each gas node, a separate energy balance is maintained for each gas
node to calculate heat transfer from the gas to the tubes.

Fired Heater excludes the combustion calculations. A separate Combustor model can be used to
produce hot combustion gas to feed the Fired Heater, or heat can be added directly to the
appropriate gas node.

The firebox includes the thermal capacitance of the refractory walls, which can radiate heat to the
tubes and transfer heat to the surroundings. Also, the thermal capacitance of the tube walls is
modeled.

A convective section can be modeled with an additional gas node where radiant heat transfer
coefficients are set to zero.

Fired Heater includes a capability to calculate its internal heat transfer coefficient from reference
conditions. These reference conditions can either be supplied from plant data or from a furnace
design program.

Fired Heater also supports reactions for individual tube passes.

Fired Heater


The Breeching segment illustrated is not included for the model considered. Also, a flow
device is required to configure the damper.

The factors that affect process heater performance are:

Draft
Burner operation
Combustion efficiency
NOB
x
Bproduction
Fired Heater


Fundamentals

Firebox Holdup Dynamics

The firebox has a Compressible model to calculate pressure dynamics. Since the firebox is
assumed to operate at a single pressure for all gas nodes, the overall pressure calculation must be
decoupled from the energy balance for each gas node. Consequently the following equation is
used to compute the firebox pressure.

=

oduct
Streams
f r
Feed
Streams
r f
F F F F
R
P
Vol
Kdps
P
dt
d
Pr
) ( ) (

where:
FB
f
FB
r
P - Firebox pressure (kPa)
Vol - Firebox volume (mP
3
P)
Kdps - Pressure derivative scale factor
R - Average fluid density in the gas nodes (kg-mol/mP
3
P)

Both Explicit (default) and Iterated pressure solution options are supported.

Firebox Gas Nodes

Although the firebox side of the Fired Heater does exhibit compressible dynamic response, it is
modeled with a separate pressure state according to the equation mentioned above. Since
pressure is calculated independently from composition and energy, specific states are used for
these variables. The differential equations (Incompressible calculations) describing each gas
node in the pressure node is as follows:

+ + +
=

imp grc grr gtc gtr
Tube
Passes
oduct
Streams
f r r
Feed
Streams
r f f
oduct
Streams
f r r
Feed
Streams
r f f
Q Q Q Q Q H F H F H F H F
Vol R
H
dt
d
Z F Z F Z F Z F
Vol R
Z
dt
d
) ( ) ( ) (
1
) ( ) (
1
Pr
Pr

where:
FB
f
FB
r
Vol - Firebox volume (mP
3
P)
3
P)
H - Holdup enthalpy (kJ/kg-mol)
HB
f
HB
r
QB
gtc
B - Convective heat transfer from gas to each tube (kJ/sec)
Fired Heater


QB
grc
B - Convective heat transfer from gas to refractory (kJ/sec)
QB
gtr
B - Radiant heat transfer from gas to each tube (kJ/sec)
QB
grr
B - Radiant heat transfer from gas to refractory (kJ/sec)
QB
imp
B - Imposed heat (kJ/sec)
ZB
f
ZB
r
Z - Holdup mole fraction component vector (fraction)

It may be noted that in models where there is a single energy holdup (e.g. Header), HB
f
B simply
refers to the enthalpy of the incoming stream. Fired Heater is an example of a device that
supports multiple energy holdups (gas nodes) in series. Due to this, the interpretation of HB
f
B in the
equation above is slightly different. Here, HB
f
B refers to the enthalpy carried into the current gas
node from the previous gas node. Similarly HB
r
B should be understood to be the enthalpy carried in
from the next gas node. For boundary gas nodes, these correspond to the usual enthalpies of the
incoming and outgoing streams. Similar observations hold for HB
r
B, and the composition terms ZB
f
B,
ZB
r
B.

Though it is possible to use multiple gas nodes, most simple furnaces can be modeled with a
single gas node. If a furnace has a convection section, then one gas node can model the radiant
section and another one can model the convective segment. While Dynsim provides the
capability to develop a discretized model with multiple radiant or convective gas nodes, the added
complexity is normally not warranted.

We assume that the firebox can be modeled by a well-stirred holdup, in which the flue gases are
at a uniform temperature Tg. This presumption is valid for firebox geometries where the aspect
ratio of the furnace (height/width) is between 2 and 4. However, for long, narrow furnaces, there
will be significant temperature variations. In this case, the user can model the different zones by
selecting more than one gas node.

Tube Pass Holdup Dynamics

Likewise, the holdup in each tube pass is modeled with Incompressible calculations in the same
way as the Pipe model. The composition and energy holdup in each tube pass is modeled with
the following equations.

=

oduct
Streams
f r r
Feed
Streams
r f f
Z F Z F Z F Z F
Vol R
Z
dt
d
Pr
) ( ) (
1

+ + +
=
imp f
oduct
Streams
f r r
Feed
Streams
r f f
Q Q H F H F H F H F
Vol R
H
dt
d
Pr
) ( ) (
1

where:
FB
f
FB
r
Vol - Fluid volume of the tube pass (mP
3
P)
3
P)
HB
f
HB
r
Fired Heater


QB
imp
QB
f
B - Heat transferred from metal to process fluid (kJ/sec)
ZB
f
ZB
r
Z - Holdup mole fraction component vector (fraction)

Heat Transfer

Heat transfer duties within the Fired Heater are calculated with respect to the process (tube pass)
fluid. Positive values represent heat transfer from the gas to the refractory to the tube metal.
However, heat loss from the refractory to ambient is typically negative to be consistent with the
heat loss calculation in other models.

As already discussed, a Fired Heater has dynamic heat balances around each gas node, as well as
around the refractory in each gas node, and the metal in each tube pass.

Each gas node also includes refractory mass. The refractory mass is modeled like metal walls in
Header and Drum models. But, refractory has a significant impact on the heat transfer as it
reflects heat from the flame to indirectly heat the tubes.

+ +
=
imp l
Tube
Passes
rt grc grr
r
p r
r
Q Q Q Q Q
C M
T
dt
d 1

where:
CpB
r
B - Specific heat of refractory (kJ/kg-K)
MB
r
B - Refractory mass for the gas node (kg)
QB
rt
B - Heat transferred from refractory to tube (kJ/sec)
QB
grc
QB
grr
QB
l
B - Heat loss from refractory to surroundings (kJ/sec)
QB
imp
TB
r
B - Refractory temperature (K)

Each tube pass includes tube metal mass. The temperature of each tube pass is modeled using the
following equation.

) (
1
f rt gtc gtr
t t
t
Q Q Q Q
Cp M
T
dt
d
+ +
=

where:
CpB
t
B - Specific heat of tube metal (kJ/kg-K)
MB
t
B - Tube metal mass for a tube pass (kg)
QB
gtc
B - Convective heat transfer from gas to a tube pass (kJ/sec)
QB
gtr
B - Radiant heat transfer from gas to a tube pass (kJ/sec)
QB
f
B - Heat transferred from metal to fluid (kJ/sec)
TB
t
B - Tube skin temperature (K)
QB
rt
B - Heat transferred from refractory to tube (kJ/sec)

Fired Heater


Radiant Heat Transfer

The principle mode of heat transfer is from the gas to the tubes. This heat transfer occurs due to
both radiant and convective modes. However radiant heat transfer dominates during normal
operation. While convective heat transfer requires the surface area of the tube bundle for its
calculations, radiant heat transfer requires the projected surface area that can be considered a
plane surface. This is sometimes referred to as the cold plane surface area. The user can
calculate this area for each tube pass using the following equation.

Spacing Len N A
t tr
=

where:
AB
tr
B - Projected cold plane area (mP
2
P)
NB
t
B - Number of tubes passes
Len - Length of tube (m)
Spacing - Center to center spacing between the tubes (m)

Heat Transfer from Gas to Tubes

Each gas node models the radiant heat transfer from the gas to each tube pass in that specific gas
node.

) (
4 4
t g tr gt gts gtr
T T A K K Q =

where:
AB
tr
B - Projected cold plane area (mP
2
P)
KB
gts
B - Overall gas to tube radiant scale factor (dimensionless)
KB
gt
B - Overall gas to tube radiant coefficient (dimensionless)
QB
gtr
B - Radiant transfer from gas to a tube pass (kJ/sec)
- Stefan-Boltzmann constant (kJ/mP
2
P/sec/KP
4
P)
TB
g
B - Gas node (bridgewall) temperature (K)
TB
t

The gas node has forced and natural convective heat transfer coefficient accounting for heat
transfer from fluid to the tube. At high inlet fluid flow rate, the heat transfer is by forced
convection and at low fluid flow rates the heat transfer is by natural convection.

( )
t g tc n
ref
f gtc
T T A U
W
W
U Max Q
= ,
8 . 0

where:
AB
tc
B - Area of tube pass for convective heat transfer (mP
2
P)
QB
gtc
B - Convective heat transfer from gas to a tube pass (kJ/sec)
TB
g
B - Gas node temperature (K)
TB
t
UB
n
B - Natural convection heat transfer coefficient (kW/mP
2
P-K)
UB
f
B - Forced convection heat transfer coefficient (kW/mP
2
P-K)
W - Mass flow rate (kg/sec)
Fired Heater


WB
ref
B - Reference mass flow rate (kg/sec)

Heat Transfer from Gas to Refractory

Each gas node models the radiant heat transfer from the gas to the refractory in that gas node.

) (
4 4
r g r gr grs grr
T T A K K Q =

where:
AB
r
B - Total area of refractory surface for heat transfer (mP
2
P)
KB
grs
B - Overall gas to refractory radiant scale factor (dimensionless)
KB
gr
B - Overall gas to refractory radiant coefficient (dimensionless)
QB
grr
- Stefan-Boltzmann constant (kJ/mP
2
P/sec/KP
4
P)
TB
g
TB
r

The gas node has forced and natural convection heat transfer coefficient to account for heat
transfer from the gas to the refractory. At high inlet gas flow rate, the heat transfer is by forced
convection and at low gas flow rate the heat transfer is by natural convection.

( )
r g r n
ref
f grc
T T A U
W
W
U Max Q
= ,
8 . 0

where:
AB
r
B - Total area of refractory for convective heat transfer (mP
2
P)
QB
grc
TB
g
TB
r
UB
n
2
P-K)
UB
f
2
P-K)
WB
ref

Heat Transfer from Refractory to Tubes

Each gas node models the radiant heat transfer from the refractory to each tube pass in the gas
node. There is no convective heat transfer from the refractory to the tubes.

) (
4 4
t r tr rt rts rt
T T A K K Q =

where:
AB
tr
B - Tube area projected or cold plane area for radiant heat transfer (mP
2
P)
KB
rts
B - Overall refractory to tube radiant scale factor (dimensionless)
KB
rt
B - Overall refractory to tube radiant coefficient (dimensionless)
QB
rt
B - Radiant transfer from refractory to tubes (kJ/sec)
- Stefan- Boltzmann constant (kJ/mP
2
P/sec/KP
4
P)
Fired Heater


TB
t
TB
r

Tube Pass Heat Transfer to Fluid

Each tube pass models the heat transfer from the tube metal to the fluid.

( )
f t tc n
ref
f f
T T A U
W
W
U Max Q
= ,
8 . 0

where:
AB
tc
2
P)
QB
f
B - Convective heat transfer from metal to process fluid (kJ/sec)
TB
f
B - Process fluid temperature (K)
TB
t
UB
n
2
P-K)
UB
f
2
P-K)
WB
ref

Heat Transfer from Refractory to the Surroundings

The loss heat transfer coefficient accounts for the heat transfer from the refractory to the
surroundings.

( )
r amb r l l
T T A U Q =

where:
AB
r
B - Total area of refractory surface for the gas node (mP
2
P)
TB
amb
B - Ambient temperature (K)
TB
r
QB
l
B - Heat loss from refractory to surroundings (kJ/sec)
UB
l
B - Loss heat transfer coefficient (kW/mP
2
P-K)

A negative value of QB
l
B indicates that the refractory is at a higher temperature than ambient.

Lumped Radiant Coefficients

In radiant heat transfer calculations, an overall or lumped radiant coefficient is used based on the
hot surface emissivity, cold surface emissivity, and view factor. If these values are known, user
may calculate these overall coefficients using the following equation.

1
1 1
1
+
=
c h
hc
K

where:
KB
hc
B - Lumped radiant coefficient, which could be KB
gr
B, KB
gt
B, or KB
rt
B (dimensionless)
- Direct effectiveness or view factor
Fired Heater


h
- Hot body emissivity, which can be either gas or refractory (dimensionless)
c
- Cold body emissivity, which can be either refractory or tube (dimensionless)

Reference Conditions

KB
gt
B, KB
gr
B, and KB
rt
B may be difficult to calculate or obtain, or it may be difficult to calculate them to
match plant data or data from a Fired Heater design or rating program. Therefore Dynsim
provides a way to calculate these constants from reference conditions. Based on steady state heat
balances around the refractory and each tube pass, the following parameters can be specified and
Dynsim will calculate KB
gt
B, KB
gr
B, and KB
rt
B.

TB
gref
B Reference gas temperature for each gas node

TB
rref
B Reference refractory temperature for each gas node

TB
tref
B Reference tube temperature for each tube pass

QB
tref
B Reference tube duty for each tube pass

Dynsim assumes that the view factor from gas to tubes and refractory to tubes is the same.
Furthermore, assuming an emissivity of the gas of 0.7, emissivity of refractory and tubes of 0.9,
we can determine that a typical value for ratio between KB
rt
Band KB
gt
B of 1.25.

gt rg rt
K K K
ratio
=

Then, using the tube energy balances set to zero for steady state operation, and assuming that the
flue gas flow is equal to WB
ref
B, Dynsim calculates KB
gt
B for each tube pass.

( )
( ) ) ( ) (
4 4 4 4
tref rref rg tref gref tr
tref gref tc f ref
gt
T T K T T A
T T A U Qt
K
ratio
+

=

where:
AB
tc
2
P)
AB
tr
B - Tube pass projected or cold plane area for radiant heat transfer (mP
2
P)
KB
gt
B - Overall gas to tube radiant coefficient (dimensionless)
TB
gref
B - Reference gas temperature for each gas node (K)
TB
tref
B - Reference tube temperature for each tube pass (K)
TB
rref
B - Reference refractory temperature for each gas node (K)
QB
tref
B - Reference tube duty for each tube pass (kJ/sec)

Using the refractory energy balance set to zero for steady state option, Dynsim calculates KB
gr
B for
each gas node.

Fired Heater


( ) ( ) ( )
( )
4 4
rref gref r
rref gref r f amb rref r l tref rref tr gt rg
tube
passes
gr
T T A
T T A U T T A U T T A K K
K
ratio

+
=

where:
Ar - Total area of refractory surface for gas node (mP
2
P)
KB
gr
B - Overall gas to refractory radiant coefficient (dimensionless)
TB
gref
B - Reference gas temperature for each gas node (K)
TB
tref
B - Reference tube temperature for each tube pass (K)
TB
rref
B - Reference refractory temperature for each gas node (K)
QB
tref
B - Reference tube duty for each tube pass (kJ/sec)
UB
l
B - Loss heat transfer coefficient (kW/mP
2
P-K)
- Stefan- Boltzmann coefficient (kJ/mP
2
P/sec/KP
4
P)

Convection Section

A convection section can be modeled by creating a second gas node. The tubes in this gas node
can be modeled with no radiant heat transfer by setting the overall radiant to zero.

Heat Streams

Heat transfer from an external source to the flue gas can be configured through heat streams.
These heat streams should originate from any source that performs heat transfer calculations and
sets Q in the heat stream, such as Utility Exchanger. Any number of heat streams can be
connected.

Fired Heater supports external heat input directly to the fluid through the parameters QB
imp
B.

Flash Calculations

Dynsim uses a vapor only flash for the flue gas section. The InternalPhases is set to Vapor, while
ExternalPhases is set to Mixed.

Each tube pass also has a flash based on outlet pressure, tube pass fluid holdup, enthalpy and
composition. ExternalPhases is Mixed, but the user may set InternalPhases based on simulation
requirements.

Tube Pass Flow Calculation

Tube pass calculates flow using the downstream density rather than upstream density. This offers
better stability and is consistent with the flash calculations. Please refer to the Base Equipment
Flow Conductance section for more details on the flow calculation.


Holdup initialization is available for the firebox and each tube pass in the Fired Heater. Please
refer to Base Equipment Fundamentals section on Holdup Initialization.

Fired Heater



Boundary specifications for the Fired Heater can be used to set any state variables. The different
specifications possible in gas node side are

Pressure
Temperature

Boundary specifications on the tube pass side are

Temperature
Enthalpy

When the boundary conditions are set, the mass and energy balance will not be satisfied. These
boundary conditions should be used only for simulation tuning and debugging.

Reactions

Fired Heater supports reactions in the Tube Pass. A RXN submodel is included in the tube pass if
reactions are enabled. Please refer to the Base Equipment Fundamentals section for
documentation on the reactions submodel.
Fired Heater


Example

The following example shows the configuration of a crude heater. Desalted crude from a Source
is to be heated. A Stream Set is used to drive a constant mass flow into the Header H1 that splits
the crude feed into two streams. The Fired Heater has a single gas node and two tube passes
through the radiant section. The heated crude flows into the Header H4 from which it is sent for
further processing. To simulate combustion we use a Combustor model. Air is mixed with Fuel
Gas from the ComboGas Source. The flue gases are sent to the Sink SNK1. The schematic
diagram of the simulation at steady state is shown below.

SOURCE: DESALTED_CRUDE
OProdStream[0] S1
Source product stream connecting to
the Stream Set SS1
Mb[H20] 1 kg-mol Boundary composition
Mb[O2] 0.0011146 kg-mol Boundary composition
Mb[N2] 0.0033439 kg-mol Boundary composition
Mb[CO2] 0.0011146 kg-mol Boundary composition
Mb[Methane] 8.916E-4 kg-mol Boundary composition
Mb[Propane] 0.010937 kg-mol Boundary composition
Mb[Butane] 0.054528 kg-mol Boundary composition
Mb[NBP33] 0.13025 kg-mol Boundary composition
Fired Heater


Mb{NBP195] 0.027076 kg-mol Boundary composition
Mb[CO] 0.0 kg-mol Boundary composition
Mb[H2] 0.0 kg-mol Boundary composition
NBP360 0.040079 kg-mol Boundary composition

STREAM SET: SS1
OFeedStream S1
Feed stream connecting from Source
Desalted_Crude
OProdStream S2
Product stream connecting to Header
H1
MassFlow 22.6 kg/sec Mass flow

HEADER: H1
OFeedStream[0] S2
Header feed stream connecting
from Stream Set SS1
OProdStream[0] S3
Header product stream
connecting to XV4
OProdStream[1] S5
Header product stream
connecting to Valve XV5
GeomSpec DERIVED
Specifies the geometric
specification selected
Vol 1 mP
3
P Volume
DynamicsOption INCOMPRESSIBLE Dynamics option selected

HEADER: H4
OFeedStream[0] S7
Header feed stream coming from
tube pass 1 of the Fired Heater
F1.
OFeedStream[1] S8
Header feed stream from tube
pass 2 of the Fired Heater F1
OProdStream[1] S9 Header product stream
Fired Heater


connecting to Valve XV8
GeomSpec DERIVED
Vol 1 mP
3
P Volume
DynamicsOption INCOMPRESSIBLE Dynamics option selected

SINK: To_c001
OFeedStream[0] S17
Sink feed stream connecting from
Valve XV8

SINK: SNK1
OFeedStream[0] S14
Valve XV9

SOURCE: AIR
OProdStream[0] S10
Valve XV2
Mb[N2] 79 kg-mol Boundary composition
Tb TAMBIENT K Boundary temperature
Mb[O2] 21 kg-mol Boundary composition

SOURCE: COMBOGAS
OProdStream[0] S15
the Valve FGV1
Mb[Methane] 1 kg-mol Boundary composition

Fired Heater


FIRED HEATER: F1
GASNODE1.MR 4500 kg Refractory mass
GASNODE1.UF 0.1 kW/mP
2
P-K
Gas forced convection heat
transfer coefficient
NTP 2 Number of tube passes
TUBEPASS1.MM 450 kg Tube pass metal mass
TUBEPASS1.VOL 10 mP
3
P Tube pass volume
TUBEPASS1.ATR 100 mP
2
P Tube pass projected surface area
TUBEPASS1.KGT 1 Radiant gas to tube coefficient
TUBEPASS1.KRT 1
Radiant refractory to tube
coefficient
TUBEPASS1.WREF 15 kg/sec Reference tube pass flow

TUBEPASS2.MM 450 kg Tube pass metal mass
TUBEPASS2.VOL 10 mP
3
P Tube pass volume
TUBEPASS2.ATR 100 mP
2
P Tube pass projected surface area
TUBEPASS2.KGT 1 Radiant gas to tube coefficient
TUBEPASS2.KRT 1
Radiant refractory to tube
coefficient
TUBEPASS2.WREF 15 kg/sec Reference tube pass flow
WREF 15 kg/sec Reference firebox mass flow
Fired Heater


Basic Tab

Firebox Volume

The firebox volume corresponds to the Vol parameter.

Gas Node Parameters

The Refractory Mass corresponds to the parameter GasNodeN.Mr and the Refractory Area
corresponds to the parameter GasNodeN.Ar in each gas node.

Tube Pass Parameters

The column Gas Node is used to specify the gas node in which the tube pass resides.

The Flow Conductance corresponds to the TubePassN.J parameter. This is used in computing
the flow through the tube pass. The default value for this parameter is 1.

Reverse Flow Factor represents the fraction of the forward flow conductance available for reverse
flow. A value set to zero will make the conductance device function like a check valve. The
corresponding parameter is TubePassN.KJr. The default for this parameter is 1.
Fired Heater


Convective Area corresponds to the TubePassN.Atc parameter. This area is expended for
convective heat transfer from the gas to the tube metal wall and as well from the tube metal to the
fluid. The default value is 25 mP
2
P.

Tube Volume corresponds to the TubePassN.Vol parameter. This specifies the volume of the
tube fluid holdup. The default value for this is 1 mP
3
P.

Metal Mass corresponds to the TubePassN.Mm parameter. It determines the thermal
capacitance of the tube walls. The default value is 4500 kg.

Fired Heater


Radiant Heat Transfer Tab

When the Use reference conditions to calculate radiant heat transfer parameters box is not
checked, the user is expected to furnish internal radiant heat transfer coefficients.

Gas Node Parameters

Refractory Area corresponds to the area of the refractory existing in the gas node. This
corresponds to the GasNodeN.Ar parameter. It is applied in convective heat transfer
calculations.

Overall Coefficient Gas to Refractory corresponds to the GasNodeN.Kgr parameter. This is an
overall radiant coefficient combining emissivities and view factor. It is used in the calculation of
radiant heat transfer between the gas and the refractory. Its value will be calculated from
reference conditions if RefCondFlag is set.

Tube Pass Parameters

Radiant Area (cold plane area) corresponds to the TubePassN.Atr parameter. This is the
projected or cold plane area computed from the number of tubes times the tube length times the
tube center-to-center spacing.

Fired Heater


Overall Coefficients Gas to tube and Refractory to Tube correspond to the TubePassN.Kgt and
TubePassN.Krt respectively. These are overall radiant coefficients combining emissivity and
view factors. These values will be calculated from reference conditions if RefCondFlag is set.

Enabling Use reference conditions to calculate radiant heat transfer parameters result s in the
following screen shot as illustrated below. Use Reference conditions corresponds to the
RefCondFlag parameter. The user is expected to furnish a set of reference conditions from which
Dynsim computes the overall radiant coefficients.

Convection Only corresponds to the GasNodeN.ConvSectionFlag parameter. When
Convection Only is checked and there is no radiant heat transfer in the gas node, it is not
necessary to specify the gas node reference conditions.

Reference Gas Temperature corresponds to the GasNodeN.Tgref parameter. This is the
reference gas node temperature from a reference data set.

Reference Refractory Temperature corresponds to the GasNodeN.Trref parameter. This is the
refractory temperature from a reference data set.

Fired Heater


Tube Pass parameters

Radiant Area (cold plane area) corresponds to the TubePassN.Atr parameter. This is the
projected or cold plane area computed from the number of tubes times the tube length times the
tube center-to-center spacing.

Reference Tube Temperature is the tube temperature from a reference data set. This corresponds
to the TubePassN.Ttref parameter.

Reference Tube Heat Duty corresponds to the TubePassN.Qtref parameter. This is the tube pass
duty from a reference data set.
Fired Heater


Convective Heat Transfer Tab

Gas Node parameters

Forced convection reference flow rate corresponds to the reference flow rate used to scale the
forced convection heat transfer coefficient. This corresponds to GasNodeN.Wref.

Forced convection heat transfer coefficient corresponds to the GasNodeN.Uf. This is used to
calculate the forced convective heat transfer between gas and refractory and gas and tubes.

Natural convection heat transfer coefficient corresponds to GasNodeN.Un. This determines the
heat transfer due to natural convection in the firebox.

Heat loss coefficient to ambient corresponds to GasNodeN.Ul. This determines the heat loss to
the surroundings.

Fired Heater


Tube Pass parameters

Forced convection heat transfer coefficient corresponds to the TubePassN.Uf parameter.

forced convection heat transfer coefficient. It corresponds to TubePassN.Wref.

Natural convection heat transfer coefficient corresponds to TubePassN.Un parameter. This determines
the heat transfer due to natural circulation in the tube.
Fired Heater


Reactions Tab

Reactions

Enable Reactions correspond to the RxnFlag parameter. This is a mechanism to turn on or off
the all of the reactions in the reactor. The default value is no reactions.

See Reaction Submodel in Base Equipment Fundamentals for details on configuration.

Fired Heater


Feeds and Products Tab

The Feeds and Products Tab is used to represent the feed and product streams to their
corresponding Tube Passes. The Feed Streams box displays all the feed streams connected to
tube passes. The Product Streams box exhibits all the product streams connected to tube passes
Clicking on the Tube Pass column will display a list of available tube passes from which the user
can assign any feed or product stream to a particular tube pass.

It is mandatory that a tube pass can have only one feed stream (product stream) attached
to it. Attaching multiple feed (product) streams to a single tube pass will result in an engine error.

Fired Heater



Use Simultaneous option in all normal cases. The other available options for pressure calculation
are Explicit, which is to be used for a majority of the problems encountered. An Iterated option
should be selected if the model demonstrates instability in pressure.
Fired Heater



Fixing the boundary conditions will result in mass and energy imbalances. This option is used to
assist model tuning. The user should note that they should not be left in place when tuning is
completed.

Gas Node Boundary Conditions

If the Gas Node Boundary Conditions is set against Pressure, then, a Boundary Pressure box
appears which corresponds to the GasNodeN.Pb parameter.

If the Gas Node boundary condition is set against Pressure-Temperature, specify the firebox
boundary pressure as well as the boundary temperatures of each gas node.

Tube Pass Boundary Conditions

The following tube pass boundary options are made available:
None
Temperature
Enthalpy

The Temperature boundary corresponds to the TubePassN.Tb parameter. The Enthalpy
boundary corresponds to the TubePassN.Hb parameter.
Fired Heater


External Inputs Tab


Gas Node parameter

Imposed duty corresponds to the GasNodeN.Qimp parameter.

Tube Pass parameter

Imposed duty corresponds to the TubePassN.Qimp parameter.

Imposed heat duty can be set using external heat stream, such as a Utility Exchanger.
Any number of heat streams can be connected.
Fired Heater


Thermo Tab

Fired Heater


Notes Tab

Fired Heater


Parameter Table
Basic
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
GasNodeN.
ConvSectionFlag
Convection Section flag
Set this flag to true to configure a convection only
section. When set to true, turns off all radiant
heat transfer calculations in this mode.
KB No m
E
Elevation
Elevation relative to other pressure nodes in the
simulation
KD0 No m
GasNodeN.Ar
Refractory Area
The same area is used for both radiant and
convective heat transfer.
KD225 Yes mP
2
P
GasNodeN.Mr
Refractory mass
This is the mass of refractory in this gas node.
KD45000 kg
RefCondFlag
Reference condition flag.
Set this to true to use reference temperatures and
duties to calculate Kgt, Kgr, and Krt from
reference data.
KB No
TubePassN.Atc
Tube pass convective heat transfer area
This area is used for convective heat transfer
from the gas to the tube metal wall and from the
tube metal to the fluid.
KD25 Yes mP
2
P
TubePassN.Cpm
Metal specific heat
Metal specific heat. The default value is typical
of carbon steel.
KD0.5 Yes kJ/kg K
TubePassN.
GasNode
Tube pass gas node
This is the gas node that the tube pass resides in.
KI
TubePassN.J
Tube pass flow conductance
Flow conductance defined by the equation W = J
* sqrt (P * R) where W is mass flow, P is
pressure drop, and R is mass density in internal
units.
KD1 Yes
(kg/sec)/
sqrt(kPa-
kg/mP
3
P)
TubePassN.KJr
Reverse flow factor
value of zero will make the conductance device
act like a check valve.
KD1 Yes fraction
TubePassN.Mm
Tube pass metal mass
Metal mass is used to determine thermal
capacitance of metal wall
KD
4500

Yes kg
TubePassN.Vol Tube pass volume KD1 Yes mP
3
P
Vol
Firebox volume
Volume of the firebox.
KD1000 Yes mP
3
P
Fired Heater


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
NGN Number of gas nodes KI 1 No
NGP Number of tube passes KD1 No

Heat Transfer
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
GasNodeN.Kgr
Radiant gas to refractory coefficient
This is an overall radiant coefficient combining
emissivity and view factors. Its value will be
calculated from reference conditions if RefCondFlag
is set.
KD0.2 Yes
GasNodeN.Uf
Gas forced convection heat transfer coefficient
This value is used to calculate forced convection heat
transfer from the gas to either the tube passes or the
refractory. Wref must also be specified.
KD0.01 Yes
kW/m2-
K
GasNodeN.Ul
Refractory ambient loss heat transfer coefficient.
Heat transfer coefficient from refractory to ambient.
KD0.001 Yes
kW/mP
2
P-
K
GasNodeN.Un
Gas natural convection heat transfer coefficient.
This value is used to calculate natural convection heat
transfer from the gas to either the tube passes or the
refractory.
KD0.001 Yes
kW/mP
2
P-
K
Wref
Reference flue gas flow rate
Reference mass flow to calculate forced convection
heat transfer. The forced convection heat transfer
coefficient is scaled by (Sum of all inlet mass flows /
Wref )^0.8.
KD5E6 Yes kg/sec
TubePassN.Atr
Tube pass projected surface area
This is the projected or cold plane surface area
calculated from the number of tubes times the tube
length times the tube center-to-center spacing.
KD50 Yes mP
2
P
TubePassN.Kgt
Radiant gas to tube coefficient
is set.
KD0.5 Yes
TubePassN.Krt
Radiant refractory to tube coefficient
is set.
KD0.625 Yes
TubePassN.Uf
Tube forced convection heat transfer coefficient
transfer from the tube metal wall to the process fluid.
KD0.1 Yes
kW/mP
2
P-
K
Fired Heater


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Wref must also be specified for the tube pass.
TubePassN.Un
Tube natural convection heat transfer coefficient.
transfer from the tube metal wall to the process fluid.
KD0.001 Yes
kW/mP
2
P-
K
TubePassN.
Wref
Reference tube pass flow
heat transfer.
KD5E6 Yes kg/sec

Reactions
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
TubePass.Rxn.
RxnFlag
Reaction flag
This flag turns on or off the all of the reactions in
the fired heater. Allowable options are:
0 - No Reactions (default).
1 - Reactions enabled.
KB false No
TubePass.Rxn.
RxnFactor

Reaction factor
This parameter can be used to scale all the reaction
rates in the reactor to simulate the reactor
efficiency. The default value is 1.
KD1
Ye
s

TubePass.Rxn.
ORxnDataSet
This defines the Reaction Data Set objects in the
reactor.
RX
ND
AT
AS
ET
0 No
TubePass.Rxn.
RxnDataSetStat
us
0 = PASSIVE
1 = ACTIVE
This turns on or off the Reaction Data Set in the
reactor. This value, if initialized, will be used
instead of the corresponding Reaction Data Set's
Status parameter.
KI No
TubePass.Rxn.
DEBUGFLAG
S

This parameter is a collection of binary flags. Each
equipment model interprets the flags its own way.
KI 0 No
TubePass.Rxn.
RefStateOpts

This Parameter specifies the reference state.
0 = REFPHASE
1 = REFPRES
2 = EXITPRES
The Reference temperature from the Reaction Data
and the option from the RefStateOpts can be used to
define the reference state.
KI
REF
PHA
SE
No
Fired Heater


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
TubePass.Rxn.
RefTemp
This display only parameter shows the reference
temperature that is used for the reference state
calculation. The reference temperature is defined by
the Reaction Data.
DD
298.1
5
No K
TubePass.Rxn.
RefPres
Reference pressure
This parameter can be used to display the reference
pressure (RefStateOpts = REFPHASE) or defined
the reference pressure (RefStateOpts = REFPRES).
DD
101.3
25
No kPa
TubePass.Rxn.
RefPhase
Reference phase
This parameter can be used to define the reference
phase for the reference state calculation if the
RefPhase option is selected from the RefStateOpts.
0 = VAPOR
1 = LIQUID
2 = UNDEFINED
If Undefined is selected the reference phase is
determined by the reaction data.
KI
UND
EFIN
ED
No

Solution Options
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
SolutionOption
Firebox Boundary specification option.
Use SIMULTANEOUS for all normal cases.
For ITERATED, solution is stable even for
small volumes. Switch to EXPLICIT to save
computation time for large volumes. The
combination COMPRESSIBLE and
ITERATED should only be used for small
volumes where COMPRESSIBLE response
is required.
0 - Iterated
1 - Explicit
2 - Local Iterated
3 - Simultaneous
KI SIMULTANEOUS No

Fired Heater


Boundary Conditions
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
BoundarySpec
Firebox Boundary specification option.
Use Boundary specifications while tuning a simulation
to reach the steady state faster. Allowable options are:
0 = NONE
1 = P
2 = T
3 = PT
Pressure is set for the entire firebox, while temperature
must be set for each gas node. Setting pressure
boundary condition will result in a material imbalance.
Setting temperature or enthalpy boundary conditions
will result in an energy imbalance.
KI None No
Pb
Boundary firebox pressure
Use only for simulation tuning. The equipment will not
maintain material balance if a boundary pressure is set.
KDNone Yes kPa
GasNodeN.
Tb
Boundary gas node temperature
Must be set for every gas node. Use only for simulation
tuning. The equipment will not maintain an energy
balance if a boundary temperature is set.
KDNone Yes K
TubePassN.
BoundarySpec
Tube pass boundary specification option.
0 = NONE
1 = T
2 = H
Setting boundary conditions will result in an energy
imbalance.
KI None No
TubePassN.Tb
Boundary tube pass temperature
maintain an energy balance if a boundary temperature
is set.
KDNone Yes K
TubePassN.Hb
Boundary tube pass enthalpy
maintain an energy balance if a boundary enthalpy is
set.
KDNone Yes
kJ/kg-
mol

External Inputs
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
GasNodeN.Qimp Imposed heat to gas node DD 0 Yes kJ/sec
TubePassN.Qimp
Imposed heat to each tube
pass
DD 0 Yes kJ/sec
Tambient Ambient temperature KD TAMBIENTYes K

Fired Heater


Calculated Values
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
GasNodeN.Qgrc Gas to refractory convective duty DD No kJ/sec
GasNodeN.Qgrr Gas to refractory radiant duty DD No kJ/sec
GasNodeN.Ql Refractory to ambient heat loss DD No kJ/sec
GasNodeN.Tg
Gas node temperature
This can also be used as the Bridgewall
temperature.
DD No K
TubePassN.Qgtc Gas to tube convective duty DD No kJ/sec
TubePassN.Qgtr Gas to tube radiant duty DD No kJ/sec
TubePassN.Qrt
Refractory to tube radiant duty
There is no convective heat transfer from the
refractory to the tubes.
DD No kJ/sec
W
Flue gas mass flow
This is the sum of all the inlet flows to the Fired
Heater.
DD No kg/sec
TubePassN.MT Total number of moles in a tube pass DD No kg-mol
TubePassN.Qf
Tube metal to fluid heat duty
This is the heat transferred from metal to the
process fluid.
DD No kJ/sec
MT Total number of moles in a gas node DD No kg-mol
TubePassN.
FSecondary
Secondary flow rate
Secondary flow rate is equal to the change in the
feed molar flow rate due to reaction.
DD No
kg-
mol/sec

States
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
GasNodeN.H Gas node enthalpy SD 0 No kJ/kg-mol
GasNodeN.Tr Refractory temperature SD 298.15 No K
GasNodeN.Z Gas node composition SD 0 No fraction
TubePassN.H Tube pass fluid enthalpy SD 0 No kJ/kg-mol
TubePassN.Tt Tube pass metal temperature SD 298 No K
TubePassN.Z Tube pass composition SD 0 No fraction
P Firebox pressure SD 100 No kPa

Fired Heater


Derivatives
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
GasNodeN.dH Gas node enthalpy derivative DD 0 No kJ/kg-mol/sec
GasNodeN.dTr Refractory temperature derivative DD 0 No K/sec
GasNodeN.dZ Gas node composition derivative DD 0 No fraction/sec
TubePassN.dH Tube pass fluid enthalpy derivative DD 0 No kJ/kg-mol/sec
TubePassN.dTt Tube pass metal temperature derivative DD 0 No K/sec
TubePassN.dZ Tube pass composition derivative DD 0 No fraction/sec
DP Firebox pressure derivative DD 0 No kPa/sec

Reference Conditions
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Ar
r
Siz
UO
M
GasNodeN.Tgre
f
Reference gas node temperature
This is the gas node temperature from a reference data
set. When RefCondFlag is set, Dynsim will calculate
Kgt, Kgr, and Krt from reference data.
KD 950 No K
GasNodeN.Trref
Reference refractory temperature
This is the refractory temperature from a reference data
set. When RefCondFlag is set, Dynsim will calculate
Kgt, Kgr, and Krt from reference data.
KD 900 No K
TubePassN.
Krgratio
Ratio of Krt to Kgt
This is the ratio of the refractory to tube coefficient to
gas to tube coefficient used to calculate Krt from Kgt
when using reference conditions. This typical value is
usually adequate.
KD
1.2
5
No
TubePassN.Qtre
f
Reference tube pass duty
This is the heat duty for each tube pass from a reference
data set. When RefCondFlag is set, Dynsim will
calculate Kgt, Kgr, and Krt from reference data.
KD
100
00
No
kJ/se
c
TubePassN.Ttref
Reference tube temperature
This is the temperature of each tube pass from a
reference data set. When RefCondFlag is set, Dynsim
will calculate Kgt, Kgr, and Krt from reference data.
KD 675 No

Fired Heater


Advanced
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
ConvType
Convergence type
Convergence type for Compressible/Iterated
solutions. If equal to FLOW (or PRES), flow (or
pressure) error will be used as the convergence
criterion.
KI FLOW No
DebugFlags
Debug flags
equipment model interprets the flags its own way
KI 0 No
GasNodeN.Kgrs
Gas to refractory radiant scale factor
Use this parameter to scale the radiant heat transfer
coefficients using an equation.
KD1 Yes
GasNodeN.KLag
Used to dampen dynamic response. Can result in
the loss or creation of mass and energy. Should not
be used for engineering studies.
KD1 Yes
GasNodeN.KCool
Scale cool down when bottled in
Scale cool down to ambient when there is no flow
out of the firebox. Used to limit derivatives when
holdup is small.
KD1 Yes
TubePassN.Kgts
Gas to tube radiant scale factor
KD1 Yes
TubePassN.Krts
Refractory to tube radiant scale factor
KD1 Yes
TubePassN.KCool
out of the firebox. Used to limit derivatives when
holdup is small.
KD1 Yes
TubePassN.
DebugFlags
Debug flags
KI 0 No

Topology
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
OFeedStream
Gas node Feed Stream
Can be connected only from flow
devices. Identifies the feed, or inlet,
stream and its associated fluid
properties. Any number of feed streams
can be connected to the gas node.
STREAM
OProdStream
Gas node Product Stream
Can be connected to only flow devices.
Identifies the product, or outlet, stream
STREAM
Fired Heater


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
and its associated fluid properties. Any
number of product streams can be
connected to the gas node.
OTubeFeedStream
Tube Pass Feed Stream
Identifies the feed, or inlet, stream and
its associated fluid properties. Only
one feed stream can be connected to the
tube pass..
STREAM
OTube
ProdStream
Tube Pass Product Stream
Identifies the product, or exit, stream
and its associated fluid properties.
Only one product stream can be
connected to the tube pass.
STREAM
OGasHeatStream
Gas node fluid heat stream
Array of object references to heat
streams connected to gas node..
HEAT
STREAM

User
Specified

OTube
FluidHeatStream
Tube fluid heat stream
streams connected to the fluid of the
tube pass.
HEAT
STREAM

User
Specified

OTube
MetalHeatStream
Tube metal heat streams
streams connected to the metal wall of
the tube pass.
HEAT
STREAM

User
Specified

FeedTubeLoc
Feed tube location
This is an array used to map the feed
streams to tube passes
KI 0
OTube
FeedStream

ProdTubeLoc
Product tube location
This is an array used to map the
product streams to tube passes
KI 0
OTube
ProdStream

MapOFeedStream
Map firebox feed streams to gas nodes.
MapOFeedStream[i]=j means feed i
enters through gas node j.
KI 0 OFeedStrean
MapOProdStream
Map firebox product streams to gas
nodes. MapOProdStream[i]=j means
product i exits gas node j
KI 0 OProdStream

Fired Heater


FAQ

Q. How do I model a shield/convective section?

A. Use multiple gas nodes. Use the configuration dialog to change the number of gas nodes or
number of tube passes. Then you can set the radiant transfer coefficients Kgt, Krt, Kgr for this
gas node to be zero. You can also accomplish the same thing by using the Object Editor/Viewer
to turn on the ConvSection flag for the gas node. If you are using reference conditions, you can
use the check box in the Convection Only column under the Gas Nodes group to specify a
convection section.

Q. How do I determine the Bridgewall temperature?

A. The burner will determine the flame temperature. The temperature of the gas node that
corresponds to the radiant section of the furnace is a good indicator of the bridgewall temperature.

Q How many gas nodes do I need?

A. For most applications, a single gas node is sufficient. For long and narrow fireboxes (aspect
ratio > 4), it might be a good idea to discritize the firebox into gas nodes so that the temperature
variation is better modeled. Another instance where multiple gas nodes may be required is where
there is a convection section. Even in this case, it should be sufficient to have 2 gas nodes, one of
which models the convection zone.

Q. How do I model the Burner?

A. Use the Slate Change model as explained in the Slate Change model documentation.

Q. I get an error message that says, Multiple feed (product) streams attached to a single
tube pass. How do I fix this?

A. After you connect process side feed and product streams to the Fired Heater, it is necessary to
map the feed/product streams to their corresponding tube passes. Each tube pass must have
exactly one feed stream and one product stream attached to it. Go to the Feeds and Products tab
of the DEW and assign the mappings. When you are done, no tube pass number (under the Tube
Pass column) should be repeated.

Q. I ran the simulation to steady state, noted the tube duties, various temperatures and
then entered these in the radiant tab after selecting Use reference conditions. However,
when I do a LF, the calculated values of Kgr, Kgt, Krt are different from what I expected.
Why does this happen?

A. Make sure of the following things. 1) Qtref for tube passes is entered correctly. 2) Reference
temperatures entered are correct. 3) Finally, make sure you enter the reference flow rates for
scaling convective transfer coefficients (Wref parameter in OEV) is the same as the steady state
flow rates. This ensures that the scale factor for heat transfer coefficients at steady state is unity.
Multi Exchanger


Multi Exchanger

Introduction

The Multi Exchanger model simulates a multi-stream heat exchanger with discretized metal
nodes between the streams. It can be used for the following applications

A simple pipe exchanging heat with ambient conditions
A shell and tube heat exchanger with multiple zones
A plate exchanger with two or more streams contacting a metal surface
A spiral wound LNG heat exchanger with a shell side and multiple tube side passes.

Each flow pass in the Multi Exchanger is a flow device with a simple flow conductance,
consisting of an input stream and an output stream. The Multi Exchanger is flexible so that any
flow pass can exchange heat with any number of fluid walls. The fluid walls can also lose heat to
the surroundings.

The Multi Exchanger does not include liquid collection at the base of an LNG heat exchanger.
This needs to be modeled with a Drum or a Separator.
Multi Exchanger


Fundamentals

The Multi Exchanger model allows the user to configure any number of discretized metal mass
heat exchanger surfaces, or walls, each wall having two sides and arranged to be in contact with
any number of stream flows and their surroundings.

Flow Pass Holdup Dynamics

The holdup for each Flow Pass is modeled with Incompressible calculations, the same way as in
the Pipe model. The composition holdup in each Flow Pass is modeled with the equation:

( )
1
( ) ( )
f f r r r f
d
Z F Z F Z F Z F Z
dt R Vol
= +

These values of the bulk composition are used to develop a cooling curve for all the discretized
elements in the Flow Pass.

Wall to Flow Pass Heat Transfer

The fluid elements are modeled assuming incompressible dynamics. As a simplification, the
compositions of all the fluid elements are taken to be that of the flow pass holdup. Each fluid
element is an energy holdup, where the specific enthalpy vector H of the fluid element is
governed by the following equation:

( )
adjacent
imp
in
walls
dH Ne Q
F H H Q
dt R Vol Ne
= + +

HB
in
B refers to the enthalpy carried into the current fluid element from the previous element.
However, for the first element, HB
in
B corresponds to the enthalpy of the incoming stream.

Multi Exchanger


The fluid in each flow pass has forced and natural convection heat transfer coefficients. These
account for heat transfer from the fluid to the wall. At high inlet fluid flow rates the heat transfer
is by forced convection and at low fluid flow rates the heat transfer is by natural convection.
Heat transfer from the wall to each Flow Pass fluid is modeled with the equation.

( ) T T
N
Area
W
W
U U MAX K Q
w
e
UExp
ref
f n

= ,

where:
Area - Flow Pass convective heat transfer area of all elements (mP
2
P)
K - Flow to wall fractional area for heat transfer (fraction)
TB
fl
B - Fluid temperature element vector (K)
TB
w
B - Metal temperature element vector (K)
UB
f
2
P-K)
UB
n
2
P-K)
UExp - Flow pass forced convection heat transfer exponent (fraction)
WB
ref

Set the wall fractional area to zero if the flow pass does not exchange heat with the wall.

Wall Temperature Dynamics

Multi Exchanger has dynamic heat balances around each discretized element. Each element
transfers heat from and to the surrounding fluids or the surroundings.

adjacent
w l
m
Flows
m
d Ne
T Q Q
dt M Cp

=

Each wall may also lose heat to the surroundings. Heat transfer from the wall to the surroundings
is modeled with this equation:

Multi Exchanger


If heat transfer to the surroundings is not desired, specify the ambient loss heat transfer
coefficient to be zero.

The Multi Exchanger does not consider heat conduction along the length of the metal walls.
Multi Exchanger supports external heat input directly to the fluid through the parameter QB
imp.
B

Flash Calculations and Cooling Curve

Each Flow Pass performs a flash based on the outlet pressure, the fluid holdup composition, and
the outlet enthalpy. External Phases is Mixed, but the user may set internal phases based on
simulation requirements. Furthermore, each flow pass has an array of Nc flashes used in cooling
curve calculations.

The Multi Exchanger uses a cooling curve to avoid computationally expensive flashes on each
element. The cooling curve is developed by performing PT flashes at regularly distributed
enthalpy intervals spanning the minimum and maximum temperatures in the exchanger. This
allows the fluid temperatures to be calculated by a simple interpolation. To further improve
computational efficiency, the cooling curve is not updated every time step. To control the
updates, a single PH flash is performed at the outlet of the exchanger. This flash temperature is
compared with the calculated outlet temperature. If the values differ by more than a pre-set
tolerance, the cooling curve is updated automatically. The user may specify this tolerance using
the parameter Tol. Additionally, an update is forced on the cooling curve periodically based on
the parameter NTUpdate.

Flow Calculation

Flow pass calculates flow using the downstream density rather than upstream density. This offers
better stability and is consistent with the flash calculations. Please refer to the Base Equipment
Flow Conductance section for more details on the flow calculation.

Initialization

Holdup initialization is available for each flow pass in the Multi Exchanger. Please refer to Base
Equipment Fundamentals section on Holdup Initialization.

Flow to Wall Custom Order

A Custom flow-to-wall direction may be specified using the FlowMWallN.Order parameter.
For instance, a TEMA BET exchanger as shown in the schematic below may be specified by:

Flow1Wall.Dir = Ascending
Flow2.Wall.Dir = Custom
Flow2Wall1.Order = [3 4 2 1 5]

Multi Exchanger


Flow1 is the tube pass and Flow2 corresponds to the shell pass. Wall1 is the tube surface, which
is discretized into five elements in this example. Flow2 contacts the 3P
rd
P element of Wall1 first,
followed by the 4P
th
P, 2P
nd
P, 1P
st
P and the 5P
th
P elements. Thus, Flow1Wall1.Dir = Ascending,
Flow2Wall1.Dir = Custom and Flow2Wall1.Order = [3 4 2 1 5].

Multi Exchanger




The number of flow passes corresponds to the Nf parameter. The number of walls corresponds to
the Nw parameter. The number of elements corresponds to the Ne parameter.

Multi Exchanger


Basic Tab

Walls

Metal Mass corresponds to the WallN.Mm parameter. Area corresponds to the WallN.Area
parameter. Heat loss coefficient to ambient corresponds to the WallN.Ul parameter.

Flow Passes

Flow conductance corresponds to the FlowM.J parameter. Reverse flow factor corresponds to
the FlowM.KJr parameter. Fluid volume corresponds to the FlowM.Vol parameter.
Multi Exchanger


Heat Transfer Tab

Forced convection heat transfer coefficient corresponds to the FlowM.Uf. This is used to
calculate the forced convective heat transfer between the fluid and the metal wall.

forced convection heat transfer coefficient. This corresponds to FlowM.Wref.

Natural convection heat transfer coefficient corresponds to FlowM.Un. This determines the heat
transfer due to natural convection in the flow pass.
Multi Exchanger


Geometry Tab

The Geometry tab is used to specify the flow to wall contact arrangement in the heat exchanger.

Wall Area Fraction

Wall area fraction is used to specify the fraction of wall area exposed to a particular flow to tune
the heat transfer or to account for geometries where the entire area is not available for heat
transfer. It corresponds to the parameter FlowMWallN.K.

Flow Direction

Flow direction is used to indicate the direction of fluid flow against the walls. It corresponds to
the parameter FlowMWallN.Dir. The available choices for the direction are:

None No contact between the flow and the wall
Ascending Fluid contacts the first element first
Descending Fluid contacts the last element first
Custom A special contact order is specified

A custom order grid appears whenever a Custom flow-to-wall direction is specified. It
corresponds to the FlowMWallN.Order parameter.
Multi Exchanger



The Feeds and Products Tab is used to assign feed and product streams to the flow passes. The
Feed Streams box shows all the feed streams entering the exchanger, while the Product Streams
box shows all the product streams leaving the exchanger. Clicking on the Flow Pass column will
display a list of available flow passes, from which the user can assign any feed or product stream
to a particular flow pass.

A flow pass can have only one feed stream (product stream) attached to it. Attaching
multiple feed (product) streams to a single flow pass will result in an engine error.
Multi Exchanger



completed.

Flow Pass Boundary Conditions

The following flow pass boundary options are available:

None
Temperature
Enthalpy

The Temperature boundary corresponds to the FlowM.Tb parameter. The Enthalpy boundary
corresponds to the FlowM.Hb parameter.

Multi Exchanger


Initialization Tab

The Initialization Tab is used for initializing the flow pass holdup based on the Source to which it
is attached. The temperature, pressure, and composition of the holdup will be initialized from the
Source when a Load Full (LF) is performed.


Source initialization object corresponds to the FlowM.OInitSource parameter. The instance of
the Source object from which the corresponding flow pass holdup is initialized should be
specified here.

Reinitialize holdup during Load Full corresponds to the ReInitFlag parameter. Check this flag to
perform holdup initialization during Load Full. If no Source object is specified and the re-
initialization flag is checked, the flow pass holdup will be initialized to equimolar composition,
Multi Exchanger


External Inputs Tab

the running engine through Data Entry Window and will have no effect on the running model.

Flow Pass parameter

Imposed duty corresponds to the FlowM.QImp parameter.

Multi Exchanger


Thermo Tab

Multi Exchanger


Notes Tab

Multi Exchanger


Parameter Table

Basic
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Ar
r
Siz
UOM
FlowM.J
Flow pass flow conductance
(DP * R) where W is mass flow and R is mass density in
internal units.
KD 1 Yes
(kg/sec)/
sqrt(kPa-
kg/ mP
3
P)
FlowM.KJr
Flow pass reverse flow factor
conductance available for reverse Flow. A value of zero
KD 1 Yes fraction
FlowM.Vol
Flow pass fluid volume
This is the total volume of the flow pass used for holdup
calculations. This is the total volume for all of the
elements.
KD Yes

mP
3
P
Ne
Number of Elements
The number of elements in each wall and flow pass. More
elements may be required for more accurate solution or to
obtain closer temperature approaches. However, more
elements results in slower performance.
KI 10 No
Nf
Number of Flow Passes.
This must be the same as the number of feed streams. For
example, a shell and tube exchanger has two flow passes.
Unconnected flow passes will be ignored.
KI No
Nw
Number of Walls
This represents the number of metal walls against which
any flow pass can exchange heat. A simple pipe would
have one wall while a shell and tube exchanger might have
two, one for the tube bundle and one for the shell. This
value must be less than or equal to the number of flow
passes.
KI No
WallN.Area
Wall heat transfer area
This is the total area of the wall available for heat transfer.
This is the total area of all elements in the wall.
KD Yes mP
2
P
WallN.Cpm
Metal specific heat
Metal specific heat. The default value is typical of carbon
steel.
KD 0.5 Yes kJ/kg K
WallN.Mm
Wall metal mass
Total metal mass is used to determine thermal capacitance
of metal walls. This is the total mass for all elements in the
wall.
KD Yes kg

Multi Exchanger


Heat Transfer
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowM.Uf
Flow Pass forced convection heat transfer
coefficient
This value is used to calculate forced convection
heat transfer from the wall to the process fluid.
Wref must also be specified for the Flow Pass.
KD 0.1 Yes
kW/mP
2
P-
K
FlowM.UExp
Flow pass forced convection heat transfer exponent.
Exponent for tuning heat transfer (film) coefficient
with flow rate. The heat transfer coefficient from
this flow pass to all adjacent walls is calculated by
Uf*(W/Wref)ÛExp. Typical values are 0.8 for flow
in a tube and 0.6 for flow across a plate.
KD 0.8 Yes fraction
FlowM.Un
Flow Pass natural convection heat transfer
coefficient.
This value is used to calculate natural convection
heat transfer from the wall to the process fluid.
KD 0.01 Yes
kW/mP
2
P-
K
FlowM.
Wref
Reference Flow Pass flow
heat transfer.
KD 5000000 Yes kg/sec
WallN.Ul
Ambient heat loss coefficient
Heat transfer coefficient from wall to ambient.
KD 0.001 Yes kJ/mP
2
P/K

Geometry
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowMWallN.
K
Flow to wall fractional area
It can be used to tune heat transfer or account for
geometries where entire area is not available for
heat transfer. Set to zero if the wall and flow pass
are not in contact. This value applies to all of the
elements in a flow pass.
KD1 Yes fraction
FlowMWallN.
Dir
Flow to wall direction
This value sets the direction of flow pass flow
with respect to the walls. Choices include
0 = NONE
1 = ASCENDING
2 = DESCENDING
3 = CUSTOM
Ascending means that the fluid contacts element
one first, Descending means the fluid contacts the
last element first, and Custom means a special
order is specified using the FlowMWallN.Order
parameter
KI 1 No
FlowMWallN.
Order
Flow to wall element custom order
Specify a custom order for the fluid to flow
against the walls. For example, to model a U-
tube exchanger with one shell pass (i.e. TEMA
KI No NE
Multi Exchanger


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
BET) with five elements use Flow1Wal11.Dir as
ASCENDING while Flow2Wall1 is CUSTOM and
Flow2Wall1.order is [3 4 2 1 5].

Boundary Conditions
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowM.Tb
Boundary flow pass temperature
is set.
KD Yes K
FlowM.Hb
Boundary flow pass enthalpy
set.
KD Yes
kJ/kg-
mol
FlowM.
BoundarySpec
Flow pass boundary specification option.
0 = NONE
1 = T
2 = H
KI No

Initialization
Parameter
Name
Description Dft Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowM.OInitSource

If OInitSource is specified, the flow pass mass
and energy will be initialized from the
specified Source model.
SOURCE 0 Yes kJ/sec
FlowM.ReInitFlag
Reinitialize holdup flag
The flow pass will reinitialize from a Source
model if one is specified. If not, the flow pass
will use an arbitrary composition based on an
even distribution of components.
KB 0 No

External Inputs

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowM.
Qimp
External heat imposed on the fluid Incompressible
Holdup.
DD 0 Yes kJ/sec
Tamb
Ambient temperature
global standalone point.
DD TAMBIENT Yes K
Multi Exchanger


Advanced
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
DebugFlags
Debug flags
This parameter is a collection of binary flags.
Each equipment model interprets the flags in its
own way.
KI 0 No
FlowM.Tol
Temperature tolerance.
This parameter controls the frequency of cooling
curve updates.A very small value will slow down
the simulation by triggering frequent cooling
curve updates. This parameter is the difference
between the outlet temperature found by using
the cooling curve to represent T as a function of
H, and the temperature found by a flash at the
outlet conditions.
KD 0.5 Yes K
FlowM.KLag
Dynamic response lag.
Used to dampen dynamic response. Can result in
the loss or creation of mass and energy. Should
not be used for engineering studies.
KD 1 Yes
FlowM.
KCool
out of the flowpass. Used to limit derivatives
when holdup is small.
KD 1 Yes
FlowM.DebugFlags
Debug flags
Each equipment model interprets the flags its
own way.
KI 0 No
FlowM.Fdpnode.Vol
Volume
Fluid volume of Pseudo node.
KD 0.5 Yes
FlowM.NTUpdate
Cooling curve update frequency
The cooling curve will be periodically updated
based on this parameter.
KD 30 Yes sec
FlowM.ITUpdate
Cooling curve update counter
The cooling curve will be forced to update when
this counter counts down to zero. This parameter
is decremented by one every time step till the
countercounts down to zero after which a new
value is calculated based on NTUpdate
parameter.
DI 0 No

Calculated Values
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowM.H
Flow Pass element enthalpy
This is a vector of enthalpies representing the fluid
enthalpy of each element in the flow pass.
DD No NE
kJ/kg-
mol
FlowM.T
Flow pass exit temperature
This is a vector of temperature representing the fluid
DD No NE K
Multi Exchanger


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
temperature of each element in the flow pass.
FlowM.W
Flow pass mass flow
Mass flow rate through the flow pass.
DD No K
FlowMWallN.
Q
Flow to wall heat duty for each element
This is a vector of duties representing the heat transfer
duty from Flow N to Wall M for each element
DD No NE kJ/sec
WallN.Ql
Wall ambient heat loss
This is a vector of duties representing the heat loss duty
from each wall to the surroundings.
DD No NE kJ/sec
WallN.T
Wall metal temperature
This is a vector of temperatures representing the
temperature of each element in the wall.
SD No NE K

Cooling Curves

Derivatives
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowM.dZ
Flow Pass composition derivative
This is the bulk composition derivative of the
flow pass Incompressible holdup.
DD No
FlowM.
CompSlate
fraction/sec
WallN.dT
Wall metal temperature derivative
This is a vector representing the temperature
derivatives of each element in the wall.
DD No NE K/sec

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowM.Nc
Number of Cooling Curve Flashes
This represents the number of flashes used to create
the cooling curve. More flashes will result in slower
performance but may result in more accurate results
for systems with sharp changes in the TH curve at
phase transition points.
KI 20 No

FlowM.HCurve
Flow Pass Enthalpy Curve
This is the enthalpy data in the flow pass cooling
curve.
SD No NC
kJ/kg-
mol
FlowM.TCurve
Flow Pass Temperature Curve
This is the temperature data in the flow pass cooling
curve.
SD No NC K
UpdateCurve
Flag to trigger updating of cooling curve
This flag will be set to true at the end of the time step
if the cooling curve needs updating at the start of the
next time step. It may also be set to 1 by the user to
force a cooling curve update (for debugging
purposes).
DI No
Multi Exchanger


States
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowM.Z
Flow Pass composition
This is the bulk composition of the flow pass
Incompressible holdup.
SD No
FlowM.
CompSlate
fraction

Topology
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM

OFeedStream
Feed streams
Identifies the feed, or inlet, stream and its
associated fluid properties. Only one feed
stream can be connected to a Flow Pass.
STREAM NF

OProdStream
Product streams
Identifies the product, or exit, stream and its
associated fluid properties. Only one
product stream can be connected to the Flow
Pass.
STREAM NF

FeedLoc
Flow pass feed location
KI 0 OFeedStream

ProdLoc
Flow pass product location
This is an array used to map the product
KI 0 OProdStream

Legend:
KB - Static Boolean
KI - Static Integer
KF - Static Float
KD - Static Double

SB - State Boolean
SI - State Integer
SF - State Float
SD - State Double

DF - Dynamic Float
DD - Dynamic Double

not a vector.

reaction submodel.

Multi Exchanger


FAQ

Q. How do I configure the Multi Exchanger to model a spiral wound LNG Heat
exchangerP
1
P?

A. If there is an upper and lower section with a different number of tube passes, then the
exchanger must be modeled with two Multi Exchangers. In this example, the top section should
have three walls: one wall for the ascending LNG tubes, one wall for the ascending flowing
refrigerant tubes, and one wall for the exchanger shell, which contains the descending flowing
refrigerant. The bottom section should be modeled similarly, but with one additional flow pass
and tube wall for the ascending flowing liquid refrigeration that is removed midway through the
actual exchanger. A drum model can be used to calculate the liquid level in the base of the
exchanger shell. The following diagram demonstrates the completed model.

1. Melaaen, Erik, Dynamic Simulation of the Liquefaction Section in Baseload LNG
Plants, Univ Trondheim, Oct 1994

Multi Exchanger


Q. How do I configure a Multi Exchanger to model a multi-stream plate fin exchanger?

A. These types of exchangers are made of alternating plates that support each other with
corrugated fins and alternating fluid traveling between each plate. However, all the streams
remain very close to the same temperature as the plates are structurally connected. Therefore it is
recommended to use only one wall, and allow the fluids to exchange heat with this single wall.
The results of such a configuration will show all outlet streams on one side of the exchanger close
to the same temperature, which is normally the expected behavior. If heat loss is required, a
second wall may be added only for exchanging heat with the surroundings.

Q. How do I configure a Multi Exchanger for zonal analysis for a shell and tube heat
exchanger?

A. Please see the example under the section Flow to Wall Custom Order.
Plug Flow Reactor


Plug Flow Reactor

Introduction

Plug Flow Reactor (PFR) is a model, which can be used to simulate a set of reactions in a tube
using discretized reaction elements. This model can be used for the following applications:

A single or multi tube adiabatic reactor
A single or multi tube reactor with cooling or heating medium on the shell
Fixed bed reactors with intermediate feed introduction.

The reactor also has the option to model catalyst beds. The reactions need to be configured using
RXNData and RXNDataSet with the desired kinetics in the reaction pass (Rxn pass) of the PFR.
The heat transfer among reaction passes and any heating or cooling streams is modeled using
flow passes and discrertized metal nodes between streams as in the Multi Exchanger model.

Refer to the ReactionData and ReactionDataSet documentation for details on reaction submodel
and configuration of reactions. Also refer to multi exchanger model documentation for more
details on the configuration of flow passes and metal walls.

Each reaction pass and flow pass in the PFR is a flow device with a simple conductance. For the
calculation of the inlet molar flow of a reaction pass, the flow conductivity is used.
Plug Flow Reactor


Fundamentals

Geometry Specification

The PFR is a combination of reaction passes and flow passes separated by walls. For flow passes
and reaction passes, the basic geometry details i.e. number of tubes, diameter, and length cannot
be provided directly. However, the calculated values of volume and area can be provided as user
input.

Each reaction pass in the PFR is discretized into a series of well-mixed holdups of equal volume.
The number of such elements to be simulated can be configured by the user. The default is 10.

If the reaction pass contains catalyst beds in each tube, the void fraction (default 1) is to be
specified for the catalytic PFR. This is the ratio of void volume in the catalyst bed to the total tube
volume.

Void Fraction = (Void volume in catalyst bed) / (Total tube volume)

Flow calculation

The flow conductance (J) for the PFR should be provided as a user input. It can be calculated
based on the inlet molar flow to any reacting or non-reacting flow pass. The reactor tube also may
contain catalyst beds that will reduce the holdup volume. Hence, the holdup volumes will be
multiplied with the void fraction provided by the user.

Holdup Calculations

PFRs reaction pass sub-model includes a series of fluid holdups called elements. The total
reaction pass volume is divided into equal elements to model heat transfer and reaction. All state
variables within an element are assumed to be uniform. Holdups are modeled with
Incompressible equations similar to Pipe model. The diagram shows a representative element
holdup in the reaction pass.

Plug Flow Reactor


The composition holdup in each reactor element for each component is modeled with the
following equation:

( ) ( ) [ ]
Rxn Rout Rin Rin Fout Fin Fin
R Z F Z F Z F Z F
Vol R
Z
dt
d
+ = . . . .
.
1

where:
FB
Fin
B - Forward flow into an element (kg-mol/sec)
FB
Rin
B - Reverse flow into an element (kg-mol/sec)
FB
Fout
B - Forward flow out an element (kg-mol/sec)
FB
Rout
B - Reverse flow out an element (kg-mol/sec)
R - Molar density of holdup (kg-mol/mP
3
P)
Vol - Fluid volume of one element (mP
3
P)
Z - Holdup mole fraction of component vector (fraction)
ZB
Fin
B- Forward flow mole fraction of component vector (fraction)
ZB
Rin
B- Reverse flow mole fraction of component vector (fraction)
RB
Rxn
B - Rate of reaction (kg-mol/sec)

Note that the FB
Fin
B and FB
Fout
B may not be equal due to the change in composition as a result of
reaction. FB
Fout
B will be calculated based on mass balance and change in molecular weight of the
holdup composition due to reaction. Similarly, the FB
Rout
B can be calculated using FB
Rin
B.

MW
MW F
F
in Fin
Fout
=

Plug Flow Reactor


where:
FB
Fin
B - Forward flow into an element (kg-mol/sec)
MWB
in
B - Molecular weight of ZB
Fin
B composition (kg/kg-mol)
FB
Fout
B - Forward flow out an element (kg-mol/sec)
MW - Molecular weight of holdup composition Z(kg/kg-mol)

The composition values of the last pass will be used for the molecular weight computation of the
holdup.

The energy balance on an element is given by the equation:

( ) ( )

+ + + =

adjacent
walls
f r Rout Rin Rin Fout Fin Fin
Q Q Q H F H F H F H F
Vol R
H
dt
d
. . . .
.
1

where:
HB
Fin
HB
Rin
B- Reverse flow enthalpy (kJ/kg-mol)
QB
r
B- Heat due to reaction (kJ/sec)
QB
f
B- Heat loss from fluid to metal (kJ/sec)
Q - Wall to process fluid heat duty element vector (kJ/sec)

The fluid in each flow pass has forced and natural convection heat transfer coefficients. These
account for heat transfer from the fluid to the wall. At high inlet fluid flow rates the heat transfer
is by forced convection and at low fluid flow rates the heat transfer is by natural convection.
Heat transfer from the wall to each flow pass fluid is modeled with the equation.

( ) T T
N
Area
W
W
U U MAX K Q
w
e
UExp
ref
f n

= ,

where:
Area - Flow Pass convective heat transfer area of all elements (mP
2
P)
K - Flow to wall fractional area for heat transfer
(fraction)
TB
w
B - Metal temperature element vector (K)
UB
f
2
P-K)
UB
n
2
P-K)
Uexp - Flow pass forced convection heat transfer exponent (fraction)
WB
ref
T - Fluid temperature vector( K)
Ne - Number of elements

Set the wall fractional area to zero if the flow pass does not exchange heat with the wall.

Plug Flow Reactor


Wall Temperature Dynamics

PFR does dynamic heat balances around each discretized element. Each element transfers heat
from and to the surrounding fluids or the surroundings.

adjacent
w l
m
Flows
m
d Ne
T Q Q
dt M Cp

=

Each wall may also lose heat to the surroundings. Heat transfer from the wall to the surroundings
is modeled with this equation:

If heat transfer to the surroundings is not desired, specify the ambient loss heat transfer
coefficient to be zero.

PFR does not consider heat conduction along the length of the metal walls and also does not
support external heat input directly to the fluid (imposed heat duty, Qimp, to the fluid)B
.
B

Flash Calculations

Each reactor element does a separate flash calculation using a flash submodel. Each element
flash is performed with a pressure-enthalpy (PH) specification. The respective element pressure is
computed using the overall pressure drop equally divided among the segments. The enthalpy is
computed from the energy balance equation explained in the Wall Temperature Dynamics topic.
External Phases is Mixed, but the user may set internal phases based on simulation requirements.
The default is VLE.

It should be noted that the reaction pass does not use the cooling curve to update the temperatures
in the elements. However, the PH flash of the flow element computes the temperatures.


Holdup initialization is available for each reaction/flow pass in the PFR model. Refer to the Base
Equipment Fundamentals section on Holdup Initialization.

Plug Flow Reactor


Reactions

A series of fluid holdups with kinetic Reaction Data Sets configured is used to model the plug
flow reactor. Each reaction element can be considered as a single reaction stage (CSTR). A
reaction submodel is included with each reactor element. Refer to the Base Equipment
Fundamentals section for details on the reactions submodel.

Flow to Wall Custom Order

The figure below is an example of TEMA-BET exchanger and needs to be configured for a PFR.

A Custom flow-to-wall direction may be specified using the FlowMWallN.Order and
RxnMWallN.Order parameter. For instance, reaction in the tube of a TEMA-BET exchanger
can be configured by:

Rxn1Wall.Dir = Ascending
Flow1.Wall.Dir = Custom
Flow1Wall1.Order = [3 4 2 1 5]

Rxn1 is the reaction pass in the tube and Flow1 corresponds to the flow pass heat transfer
medium on the shell. Wall1 is the tube surface, which is discretized into five elements in this
example. Flow1 contacts the 3P
rd
P element of Wall1 first, followed by the 4P
th
P, 2P
nd
P, 1P
st
P and the 5P
th
P
elements. Thus, Rxn1Wall1.Dir = Ascending, Flow1Wall1.Dir = Custom and Flow2Wall1.Order
= [3 4 2 1 5].

Plug Flow Reactor


Example

The following example illustrates the configuration of a PFR used to simulate a tube cooled
packed bed catalytic reactor. The PFR model represents a tube cooled ammonia synthesis reactor.
The PFR (R1) has 5 elements with 1 reaction pass and 1 flow pass. The reaction pass is fed with
mixture of H2 and N2 in ratio of 1:3 through the valve (XV1) and the flow pass is fed through the
valve (XV3). The reactor effluent goes to valve (XV2) and the tube exit stream to valve (XV4).

The flow pass represents the tube-cooled exchanger that controls the reactor bed temperature and
pre-heats the synthesis gas feed to the reactor bed. The reaction pass simulates the reactor catalyst
bed and computes the conversion rate based on the Temkin-Pyzhev kinetic rate expression.

Refer to the Ammonia Reactor example in the application briefs manual for more details on
ammonia synthesis reaction.

SOURCE: SRC1
OProdStream[0] S1
XV1
Mb[AR] 4.8 kg-mol Boundary composition
Mb[CH4] 4.4 kg-mol Boundary composition
Mb[NH3] 2.2 kg-mol Boundary composition

SOURCE: SRC3
OProdStream[0] S5
XV3
Mb[AR] 4.8 kg-mol Boundary composition
Mb[CH4] 4.4 kg-mol Boundary composition
Plug Flow Reactor


Mb[NH3] 2.2 kg-mol Boundary composition

VALVE: XV1
OFeedStream S1
SRC1
OProdStream S2 Valve product stream to PFR R1
Cv 50 Cv Valve Cv
Op 0 fraction Valve opening

VALVE: XV3
OFeedStream S5
SRC3
OProdStream S6 Valve product stream to PFR R1
Cv 100 Cv Valve Cv

PFR: R1
OFeedStream[0] S2
PFR reaction pass feed stream from
Valve XV1
OFeedStream[0] S6
PFR flow pass feed stream from
Valve XV3
OProdLiquid[0] S3
PFR reaction pass product stream to
Valve XV2
OProdVapor[1] S7
PFR flow pass product stream to
Valve XV4
Ne 5 Number of elements per wall
Nw 2 Number of walls
Nr 1 Number of reaction passes
1 Number of flow passes
RxnM.J 150 Cv Reaction pass[1] Flow Conductance
FlowM.J 150 Cv Flow pass[1] Flow Conductance
RPass1.Vol 20 mP
3
P Reaction pass[1] holdup volume
Flow1.Vol 10 mP
3
P Flow pass[1] holdup volume
RPass1.Void 0.5 fraction Reaction pass[1] void fraction
Wall1.Mm 11000 kg Wall[1] Metal Mass
Wall2.Mm 11000 kg Wall[2] Metal Mass
Wall1.Area 200 mP
2
P Wall[1] Area
Wall2.Area 250 mP
2
P Wall[2] Area
RPass1.Uf 0.06 kW/mP
2
P-K
Reaction pass[1] forced convection
HTC
RPass1.Wref 2.8 Kg/sec
Reaction pass[1] forced reference
flow rate
Plug Flow Reactor


Flow1.Uf 0.12 kW/mP
2
P-K
Flow pass[1] forced convection
HTC
Flow1.Wref 2.8 kg/sec Flow pass forced reference flow rate
Flow1Wall1.Dir Descending
Wall[1] Flow pass[1] contact
direction
Flow1Wall2.Dir Descending
Wall[2] Flow pass[1] contact
direction
RPass1Wall1.Dir Ascending
Wall[1] Reaction pass[1] contact
direction
RPass1Wall2.Dir No Contact
Wall[2] Reaction pass[1] contact
direction
OFeedStream[0] S2 Pass[1] Feed Stream
OProdStream[0] S3 Pass[1] Product Stream
PassType Reacting Pass[1] Type
OFeedStream[1] S6 Pass[2] Feed Stream
OProdStream[1] S7 Pass[2] Product Stream
PassType
Non-
Reacting
Pass[2] Type
RPass1.Rxn.ORxnD
ataSet[0]
Asyn Reaction pass[1] Rxn Set Name
RPass1.Rxn.RData.S
tatus
Active Reaction pass[1] Rxn Set Status
Flow1.OInitSource SRC1 Flow pass[1] Initilization
RPass1.OInitSource SRC1 Reaction pass[1] Initilization

VALVE: XV2
OFeedStream S3
Valve feed stream from liquid port
of Drum F1
Cv 50 Cv Valve Cv
Op 0 fraction

VALVE: XV3
OFeedStream S7
of Drum F1
Cv 100 Cv Valve Cv
Op 0 fraction

SINK: SNK1

Plug Flow Reactor


RXN SET: ASYN

Refer to the Ammonia Reactor example in the application briefs manual for more details on
ammonia synthesis reaction.

The reactor bed temperature results are represented in the form of a plot as shown below.

A few more examples of simulating reactors with different geometry and configurations using
Dynsim PFR are illustrated below :

Adiabatic Fixed Bed Catalytic Reactor

The traditional shift reactors carry out the water gas shift reaction in a single fixed catalyst bed
with no cooling. The reactor is thickly insulated and the reactor operation is near adiabatic in
nature. In this case, the reactor bed temperature profile is very important as it governs the overall
conversion and residual life of the catalyst (exposure to high temperatures or improper profile
induces catalyst deactivation due to memory effects).
Plug Flow Reactor


Dynsim PFR reactor can simulate this reactor to predict the bed temperature profile. The ambient
heat loss also can be modeled using the ambient heat loss coefficient (compensate for effect of
refractory / insulation layers).

The Dynsim PFR configuration for this reactor is:

Flow Pass : 0
Reaction Pass : 1 (Water gas shift reaction)
Wall : 1 (Reactor Shell)

Ambient Heat Loss is on Wall 1 (Reactor Shell)

Jacketed Fixed Bed Catalytic Reactor

The conventional secondary reformer used for reforming methane with air operates at very high
temperatures in range of 1000-1200 P
o
PC. The reactor is provided with a jacket with soft water as
the cooling medium to protect it from thermal stress failure. The jacket has a low soft water flow
from bottom and part of the water gets evaporated while the rest overflows.
Plug Flow Reactor


Dynsim PFR reactor can simulate this reactor configuration and the heat loss to the coolant water
can be tuned using the heat transfer coefficient (compensate for effect of refractory / insulation
layers).


Flow Pass : 1 (Soft water coolant flow)
Reaction Pass : 1 (Methane Secondary Reforming)
Wall : 2 (Reactor Shell, Jacket Wall)

Ambient Heat Loss is on Wall 2 (Jacket Wall)

Tube Cooled Catalytic Reactor

The conventional ammonia synthesis converter is a Shell with TVA Cartridge (Tube cooled)
configuration. The catalyst bed is present at the top part of the cartridge and is tube cooled
(through reactor feed). The bottom part is a feed effluent exchanger. The reactor has a main inlet,
where feed gas passes through the annular space between the shell and cartridge and enters the
feed-effluent exchanger and then the catalyst bed cooler. The gas next enters the catalyst bed
where ammonia conversion takes place, and the bed effluent gases are cooled in the feed-effluent
exchanger before leaving the converted assembly. There is a provision to by-pass the
Plug Flow Reactor


feed-effluent exchanger and feed the gas directly to the bed cooler. There is also a provision to
feed the gas directly to the catalyst bed. These bypass controllers are used to control the catalyst
bed and reactor temperature profile.

The TVA reactor is modeled as a PFR / Multi exchanger combination in Dynsim. The Dynsim
model for the Ammonia TVA reactor is given below. The reactants are mixed with the recycle in
a header and passed through the only reaction pass( representing the lumped catalyst beds). The
effluents then exchange heat with the exchanger bypass stream in a multi exchanger model. The
exchanger bypass is then used in a flowpass countercurrent to the reactant flow. The second
flowpass in the reactor represents the main feed annular flow co-current to the reactant flow.
Plug Flow Reactor


The DynSim PFR configuration is:

Flow Pass : 2 (Main Feed Annular Flow, Feed Gas from exchanger)
Reaction Pass : 1 (Ammonia Synthesis Reaction)
Wall : 3 (Reaction Tubes, Cartridge Shell, Outer Blast Shell)

Ambient Heat Loss is on Wall 3 (Outer Blast Shell)

Pool Reactor with Cooling Mechanism

In Urea synthesis, a pool reactor with inter-cooling using soft water is used. The reactor is a shell
and tube exchanger with reactions taking place on the shell side, while heat is extracted on the
tube side and this heat is used to generate steam. There is also a small wash tower / scrubber unit
present at the top of the pool reactor to wash the unreacted gases (effluent).

Plug Flow Reactor


There are two approaches available in Dynsim for configuring the above pool reactor. The first
approach is to use a Drum reactor with a submerged coil connected to a utility exchanger. This
model can be used where a single bulk reactor temperature value will suffice and the temperature
profiles of the reactor are not required.

Please refer to the FAQ section of Utility Exchanger for additional details on configuring a Drum
with submerged coil.

The second and more rigorous approach for modeling the pool reactor is to use the PFR model
along with a column and drum model. The PFR simulates the complex shell and tube reactor,
while the column simulates the scrubber unit. The liquid from the scrubber is mixed with
ammonia and CO2 reactants and are passed through the reaction pass (It is assumed that perfect
mixing of the reactants occurs and there is a plug flow on the shell side). Custom element
ordering needs to be specified in the reaction pass to simulate the cross flow effect. The drum
model is used for separating the vapor and liquid streams of the reactor effluent and the vapor
stream is recycled to the scrubber.

The above configuration can be used to generate temperature profile across the reactor length and
compute coolant tube metal temperatures. The results can be used to study the thermal stress
developed across the reactor exchanger during start-up, shut-down, and process transient
conditions.


Flow Pass : 1 (Soft Water / Steam)
Reaction Pass : 1 (Urea synthesis reaction)
Wall : 2 (Coolant Tube bundle, Reactor Shell)

Ambient Heat Loss is on Wall 2 (Reactor Shell)

Plug Flow Reactor




The number of reaction passes corresponds to the Nr parameter .The number of flow passes
corresponds to the Nf parameter. The number of walls corresponds to the Nw parameter. The
number of elements corresponds to the Ne parameter.
Plug Flow Reactor


Basic Tab

Walls

Metal mass corresponds to the WallN.Mm parameter. Area corresponds to the WallN.Area
parameter. Heat loss coefficient to ambient corresponds to the WallN.Ul parameter.

Flow Passes

Flow conductance corresponds to the FlowM.J parameter. Reverse flow factor corresponds to
the FlowM.KJr parameter. Fluid volume corresponds to the FlowM.Vol parameter.

Reactor Passes

Flow conductance corresponds to the RxnM.J parameter. Reverse flow factor corresponds to the
RxnM.KJr parameter. Fluid volume corresponds to the RxnM.Vol parameter.

Void fraction corresponds to the RxnM .Void parameter. This is the ratio of volume of voids in
the tube to overall volume of the tubes. Default value is 1.0 for empty tube and for tubes with
catalyst beds an appropriate value (0-1) can be specified.
Plug Flow Reactor


Heat Transfer Tab

Forced convection heat transfer coefficient corresponds to the FlowM.Uf and RxnM.Uf
parameters. This is used to calculate the forced convective heat transfer between the fluid and the
metal wall.

forced convection heat transfer coefficient. This corresponds to FlowM.Wref and RxnM.Wref
parameters.

Natural convection heat transfer coefficient corresponds to FlowM.Un and RxnM.Un
parameters. This determines the heat transfer due to natural convection in the flow pass.

Plug Flow Reactor


Geometry Tab

The Geometry tab is used to specify the flow to wall contact arrangement in the reactor with
respect different flow passes and reaction passes.

Wall Area Fraction

Wall area fraction is used to specify the fraction of wall area exposed to a particular flow to tune
the heat transfer or to account for geometries where the entire area is not available for heat
transfer. It corresponds to the parameters FlowMWallN.K and RxnMWallN.K.

Flow Direction

Flow direction is used to indicate the direction of fluid flow against the walls. It corresponds to
the parameters FlowMWallN.Dir and RxnMWallN.Dir. The available choices for the direction
are:

None No contact between the flow and the wall
Ascending Fluid contacts the first element first
Descending Fluid contacts the last element first
Custom A special contact order is specified
A custom order grid appears whenever a Custom flow-to-wall direction is specified. It
corresponds to the FlowMWallN.Order parameter.
Plug Flow Reactor



The Feeds and Products Tab is used to assign feed and product streams to the reaction passes and
flow passes. The Feed streams box shows all the feed streams entering the exchanger, while the
Product streams box shows all the product streams exiting the exchanger. Clicking on the Flow
Pass column will display a list of available flow passes, from which the user can assign any feed
or product stream to a particular flow pass.

A reaction pass as well as flow pass can have only one feed stream (product stream) each
attached to it. Attaching multiple feed (product) streams to a single flow pass will result in an
engine error.
Plug Flow Reactor


Reaction Tab

Enable Reactions correspond to the RxnM.RxnFlag parameter. By default, this is set to true for
PFR reaction pass. Remove this check to disable the reaction submodels in a reaction pass.

Reactions in PFR should be configured each reaction pass individually.

See Reaction Submodel in Base Equipment Fundamentals for details of configuration.

Plug Flow Reactor



completed. The boundary specifications are available only for non-reacting flow passes.

Flow Pass Boundary Conditions

The following flow pass boundary options are available:

None
Temperature
Enthalpy

The Temperature boundary corresponds to the FlowM.Tb parameter. The Enthalpy boundary
corresponds to the FlowM.Hb parameter.
Plug Flow Reactor


Initialization Tab

The Initialization Tab is used for initializing the flow pass holdup based on the Source to which it
is attached. The temperature, pressure and composition of the holdup will be initialized from the
Source when a Load Full (LF) is performed.


Source initialization object corresponds to the FlowM.OInitSource parameter. The instance of
the Source object from which the corresponding flow pass holdup is initialized should be
specified here.

perform holdup initialization during Load Full. If no Source object is specified and the re-
initialization flag is checked, the flow pass holdup will be initialized to equimolar composition,
Plug Flow Reactor


External Inputs Tab


Ambient Temperature

standalone point TAMBIENT. The default value can be used in most cases.

Plug Flow Reactor


Thermo Tab

Thermo Options

parameter, Local thermo options to the LocalThermoOption parameter, and Local flash options
to the LocalFlashOption. To avoid having to set this parameter for each new equipment on the

Phase Options


Plug Flow Reactor


Notes Tab

Plug Flow Reactor


Parameter Table
Basic
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowM.J
Flow pass flow conductance
(DP * R) where W is mass flow and R is mass density in
internal units.
KD 1 Yes
(kg/sec)/
sqrt(kPa-
kg/mP
3
P)
FlowM.KJr
Flow pass reverse flow factor
KD 1 Yes fraction
FlowM.Vol
Flow pass fluid volume
This is the total volume of the flow pass used for holdup
calculations. This is the total volume for all of the
elements.
KD Yes

mP
3
P
RxnM.J
Reaction pass flow conductance
Reaction pass conductance defined by the equation W = J
* sqrt (DP * R) where W is mass flow and R is mass
density in internal units.
KD 1 Yes
(kg/sec)/
sqrt(kPa-
kg/mP
3
P)
RxnM.KJr
Reaction pass reverse flow factor
KD 1 Yes fraction
RxnM.Vol
Reaction pass fluid volume
This is the total volume of the reaction pass used for
holdup calculations. This is the total volume for all of the
elements.
KD Yes

mP
3
P
RxnM.Void
Void fraction of the catalyst bed
Void fraction is the empty volume per unit volume of the
catalyst bed.
KD 1 Yes

fraction
Ne
Number of Elements
The number of elements in each wall and flow pass. More
elements may be required for more accurate solution.
However, more elements results in slower performance.
KI 10 No
Nf
Number of Flow Passes.
This must be the same as the number of feed streams.
KI No
Nr
Number of Reaction Passes.
This must be the same as the number of feed streams.
KI No
Nw
Number of Walls
This represents the number of metal walls against which
any flow pass or reaction pass can exchange heat. A
simple tube would have one wall, jacketed reactor might
have two, one for the tube bundle and one for the shell.
This value must be less than or equal to the total number of
reaction passs and flow passes.
KI No
WallN.Area
Wall heat transfer area
This is the total area of the wall available for heat transfer.
KD Yes mP
2
P
Plug Flow Reactor


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
This is the total area of all elements in the wall.
WallN.Cpm
Metal specific heat
Metal specific heat. The default value is typical of carbon
steel.
KD 0.5 Yes kJ/kg K
WallN.Mm
Wall metal mass
Total metal mass is used to determine thermal capacitance
of metal walls. This is the total mass for all elements in the
wall.
KD Yes kg

Heat Transfer
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowM.Uf
Flow Pass forced convection heat transfer coefficient
transfer from the wall to the process fluid. Wref must
also be specified for the Flow Pass.
KD0.1 Yes kW/mP
2
P-K
FlowM.UExp
Flow pass forced convection heat transfer exponent.
Exponent for tuning heat transfer (film) coefficient with
flow rate. The heat transfer coefficient from this flow
pass to all adjacent walls is calculated by
Uf*(W/Wref)ÛExp. Typical values are 0.8 for flow in a
tube and 0.6 for flow across a plate.
KD0.8 Yes fraction
FlowM.Un
Flow Pass natural convection heat transfer coefficient.
transfer from the wall to the process fluid.
KD
0.0
1
Yes kW/mP
2
P-K
FlowM.
Wref
Reference mass flow to calculate forced convection heat
transfer.
KD
500
000
0
Yes kg/sec
RxnM.Uf
Reaction Pass forced convection heat transfer coefficient
transfer from the wall to the process fluid. Wref must
also be specified for the Flow Pass.
KD0.1 Yes kW/mP
2
P-K
RxnM.UExp
Reaction pass forced convection heat transfer exponent.
Exponent for tuning heat transfer (film) coefficient with
flow rate. The heat transfer coefficient from this flow
pass to all adjacent walls is calculated by
Uf*(W/Wref)ÛExp. Typical values are 0.8 for flow in a
tube and 0.6 for flow across a plate.
KD0.8 Yes fraction
RxnM.Un
Reaction pass natural convection heat transfer
coefficient.
transfer from the wall to the process fluid.
KD
0.0
1
Yes kW/mP
2
P-K
RxnM.
Wref
Reference mass flow to calculate forced convection heat
transfer.
KD
500
000
0
Yes kg/sec
WallN.Ul
Ambient heat loss coefficient
Heat transfer coefficient from wall to ambient.
KD
0.0
01
Yes kJ/mP
2
P/K
Plug Flow Reactor


Geometry
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowMWallN.
K
Flow to wall fractional area
geometries where entire area is not available for heat
transfer. Set to zero if the wall and flow pass are not in
contact. This value applies to all of the elements in a
flow pass.
KD 1 Yes fraction
FlowMWallN.
Dir
Flow to wall direction
This value sets the direction of flow pass flow with
respect to the walls. Choices include
0 = NONE
1 = ASCENDING
2 = DESCENDING
3 = CUSTOM
Ascending means that the fluid contacts element one first,
Descending means the fluid contacts the last element
first, and Custom means a special order is specified
using the FlowMWallN.Order parameter
KI 1 No
FlowMWallN.
Order
Flow to wall element custom order
Specify a custom order for the fluid to flow against the
walls. For example, to model a U-tube exchanger with
one shell pass (i.e. TEMA BET) with five elements use
Flow1Wal11.Dir as ASCENDING while Flow2Wall1 is
CUSTOM and Flow2Wall1.order is [3 4 2 1 5].
KI No NE
RxnMWallN.
K
Reaction pass to wall fractional area
geometries where entire area is not available for heat
transfer. Set to zero if the wall and flow pass are not in
contact. This value applies to all of the elements in a
flow pass.
KD 1 Yes fraction
RxnMWallN.
Dir
Reaction pass to wall direction
This value sets the direction of reaction pass flow with
respect to the walls. Choices include
0 = NONE
1 = ASCENDING
2 = DESCENDING
3 = CUSTOM
Ascending means that the fluid contacts element one first,
Descending means the fluid contacts the last element
first.
KI 1 No
RxnMWallN.
Order
Reaction flow to wall element custom order
Specify a custom order for the fluid to flow against the
walls. Refer FlowMWallN for example of custom
ordering.
KI No NE

Plug Flow Reactor


Boundary Conditions
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowM.Tb
Boundary flow pass temperature
is set.
KD Yes K
FlowM.Hb
Boundary flow pass enthalpy
set.
KD Yes
kJ/kg-
mol
FlowM.
BoundarySpec
Flow pass boundary specification option.
0 = NONE
1 = T
2 = H
KI No

External Inputs

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Tamb
Ambient temperature
global standalone point.
DD TAMBIENT Yes K

Calculated Values
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowM.H
Flow Pass element enthalpy
enthalpy of each element in the flow pass.
DD No NE
kJ/kg-
mol
FlowM.T
Flow pass exit temperature
temperature of each element in the flow pass.
DD No NE K
FlowM.W
Flow pass mass flow
Mass flow rate through the flow pass.
DD No K
FlowMWallN.
Q
duty from Flow N to Wall M for each element
DD No NE kJ/sec
RxnM.H
Reaction Pass element enthalpy
enthalpy of each element in the reaction pass.
DD No NE
kJ/kg-
mol
RxnM.T
Reaction pass exit temperature
temperature of each element in the reaction pass.
DD No NE K
RxnM.W Reaction pass mass flow DD No K
Plug Flow Reactor


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Mass flow rate through the reaction pass.
RxnMWallN.
Q
duty from Rxn M to Wall N for each element
DD No NE kJ/sec
WallN.Ql
Wall ambient heat loss
This is a vector of heat duties representing the heat loss
from each wall to the surroundings.
DD No NE kJ/sec

Derivatives
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowM.dZ
Flow Pass composition derivative
flow pass Incompressible holdup.
DD No
FlowM.
CompSlate
fraction/sec
RxnM.dZ
Reaction Pass composition derivative
reaction pass Incompressible holdup.
DD No
RxnM.
CompSlate
fraction/sec
WallN.dT
Wall metal temperature derivative
This is a vector representing the temperature
derivatives of each element in the wall.
DD No NE K/sec

States
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FlowM.Z
Flow Pass composition
This is the bulk composition of the flow pass
SD No
FlowM.
CompSlate
fraction
RxnM.Z
Reaction Pass composition
This is the bulk composition of the reaction pass
SD No
RxnM.
CompSlate
fraction
WallN.T
Wall metal temperature
This is a vector of temperatures representing the
temperature of each element in the wall.
SD No NE K

Topology
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM

OFeedStream
Feed streams
Identifies the feed, or inlet, stream and its
associated fluid properties. Only one feed
stream can be connected to a Flow Pass.
STREAM NF

OProdStream
Product streams
Identifies the product, or exit, stream and its
associated fluid properties. Only one
product stream can be connected to the Flow
Pass.
STREAM NP
Plug Flow Reactor


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM

FeedLoc
Flow pass feed location
streams to flow/reaction passes
KI 0 OFeedStream

ProdLoc
Flow pass product location
This is an array used to map the product
streams to flow/reaction passes
KI 0 OProdStream

Reactions
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
RxnM.RxnFlag
Reaction flag
This flag turns on or off the all of the reactions
in the reactor. The default value is to allow
reactions (1)
KB false No N/AN/A
RxnM.RxnFactor

Reaction factor
This parameter can be used to scale all the
reaction rates in the reactor to simulate the
reactor efficiency. The default value is 1.
KD 1
Yes

RxnM.ORxnData
Set
This defines the Reaction Data Set objects in the
reactor.
RXNDA
TASET
0 No Nr
RxnM.
RxnDataSetStatus
0 = PASSIVE
1 = ACTIVE
This turns on or off the Reaction Data Set in the
reactor. This value, if initialized, will be used
instead of the corresponding Reaction Data
Set's Status parameter
KI No Nr
RxnM.
DEBUGFLAGS

Each equipment model interprets the flags its
own way.
KI 0 No
RxnM.
RefStateOpts

This Parameter specifies the reference state.
0 = REFPHASE
1 = REFPRES
2 = EXITPRES
The Reference temperature from the Reaction
Data and the option from the RefStateOpts can
be used to define the reference state.
KI
REF
PH
ASE
No
RxnM. RefTemp
This display only parameter shows the reference
temperature that is used for the reference state
calculation. The reference temperature is
defined by the Reaction Data.
DD
298.
15
No K
Plug Flow Reactor


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
RxnM.RefPres
Reference pressure
This parameter can be used to display the
reference pressure (RefStateOpts =
REFPHASE) or defined the reference pressure
(RefStateOpts = REFPRES).
DD
101.
325
No kPa
RxnM. RefPhase
Reference phase
This parameter can be used to define the
reference phase for the reference state
calculation if the RefPhase option is selected
from the RefStateOpts. Allowable options are:
0 = VAPOR
1 = LIQUID
2 = UNDEFINED
If Undefined is selected the reference phase is
determined by the reaction data.
KI
UN
DEF
INE
D
No

Legend:
KB - Static Boolean
KI - Static Integer
KF - Static Float
KD - Static Double

SB - State Boolean
SI - State Integer
SF - State Float
SD - State Double

DF - Dynamic Float
DD - Dynamic Double

not a vector.

reaction submodel.
Reaction Data


Reaction Data

Introduction

Reaction Data defines an individual chemical reaction. Each reaction has a unique identifier that
is combined into groups of reactions defined by the Reaction Data Set model. Equipment models
that support reactions make use of these chemical Reaction Data Sets.
Reaction Data


Fundamentals

Reaction Data

The data requirements for the reactions differ from other models. A model with reactions can use
any Reaction Data Set(s) and any reaction(s) defined within a Reaction Data Set. If a model uses
a reaction, that reaction must have the data required for the type of reaction calculation requested.
Models with reactions can perform kinetic, equilibrium or conversion calculations, or any
combination of these in the same reactor.

Kinetic reactions may be one of two types, either a simple power law, or a complex form that
encompasses Langmuir-Hinshelwood-Hougen-Watson (LHHW) kinetics.

It is important to note that the Reaction Data only provides the data for the requested calculations
and does not fix the reaction type. The type of reaction calculation to be carried out is defined by
the separate reactor model (e.g. Pipe, Header, Drum) . Therefore a Reaction Data model can
contain parameters for kinetic calculations, equilibrium calculations and conversion calculations
all at the same time, and the reactor model using the Reaction Data can select which of these
calculations to use.

This flexibility can aid simulation building. For example, when setting up a simulation it may be
convenient to set the reaction type first to conversion, in order to verify other parameters such as
the heat and material balance. Later, once these are verified, the reaction type can be switched to
kinetic.

Power Law Kinetic Model

The following equations represent the Power law kinetics model.

ts ac
A
T
T R
E
BaseComp
C T e K
S
S
Factor R
tan Re
exp

where:
A - Power law exponent component vector (dimensionless)
C - The activity in terms of concentration, partial pressure, or mole fraction
component vector (kg-mol/mP
3
P, kPa, fraction)
E - Activation energy for the reaction (kJ/kg-mol)
Factor - Reaction rate adjustment factor (dimensionless)
K - The Pre-Exponential factor
R - The rate of reaction of the component vector (kg-mol/sec/mP
3
P)
SB
BaseComp
B - Stoichiometric coefficient for the base component (dimensionless)
S - Stoichiometric coefficient component vector (dimensionless)
TB

B - The reaction temperature (K)
TB
exp
B - Temperature exponent

By default, the rate of reaction is normalized by the stoichiometric coefficient of the base
component. The reaction rate of the base component remains the same even if all the
stoichiometric coefficients in the reaction are scaled up or down. This is inconsistent with Pro/II,
Reaction Data


which does not do this by default. To match Pro/II, set the NormFlag to false to implement the
following equation.
=

ts ac
A T
T R E
i
C T e K S Factor R
tan Re
exp
) * /(
) (
In this case the reaction rate of the base component depends on its stoichiometric coefficient.

LHHW Kinetics

The LHHW option for reaction kinetics allows various rate expressions to be represented in a
generalized form.

The rate expression is given as a product of numerator and denominator terms, each of which
may individually be raised to a power:

5 4 3 2 1
5 4 3 2 1
5 4 3 2 1
5 4 3 2 1
d d d d d
n n n n n
D D D D D
N N N N N
r

=

In this expression, the number of terms in the numerator and the denominator may be from 0 to 5.
As few or as many terms may be used as are needed.

Each of the individual terms, for example NB
1
B, is given as a summation of power law terms:

n
P P P k N + + + + = L
2 1 1

The constant k in each term will typically be 1 or 0. Each of the PB
i
B terms can be a general power
law expression of the form:

L
c
C
b
B
a
A
n RT E
C C C T e A P
/
=
where:
P - Power law term
A - Component activity exponent (dimensionless)
C - The activity in terms of concentration, partial pressure, or mole fraction component
vector (kg-mol/mP
3
P, kPa, fraction)
E - Activation energy for the reaction (kJ/kg-mol)
T - The reaction temperature (K)
R - constant 8.314 (kJ/kmol-K).

Each P term is represented by a separate Reaction Data model, which must have its Rate Method
set to Power Law for LHHW.

Reaction Data


Equilibrium Expression

When the reaction type is set to equilibrium, the equilibrium expression is solved simultaneously
for each of the equilibrium reactions active in that reactor.

For a reaction,

aA + bB = cC + dD

The equilibrium expression is given by:

b
B
a
A
d
D
c
C
EQ
C C
C C
K =

In this expression each of the terms CB
A
B, CB
B
B, CB
C
B and CB
D
B are the activities of each component, either
partial pressure, concentration or mole fraction. The activity basis for the Cs is determined from
the default reaction phase on the Basic tab, and the calculations always treat the whole mixture
homogeneously.

The dependence of equilibrium on temperature is expressed as

5 4 3 2
ln ln HT GT FT ET DT T C
T
B
A K
EQ
+ + + + + + + =

where:
KB
EQ
B - Reaction equilibrium constant
A H - Arrhenius coefficients
T - Absolute temperature

The temperature is in the temperature units specified on the Basic tab. You should always make
sure that absolute temperature units are chosen for reaction calculations.

Two options exist for specifying the approach to equilibrium. It can be given either on a
fractional conversion basis or by a temperature approach. The conversion itself can be specified
as a function of temperature. If the default settings are accepted a temperature approach of zero
will be used and the reaction will go all the way to equilibrium.

When the temperature approach is given, KB
EQ
B is computed at a modified T, where:

T = TB
reaction
B T (endothermic reactions)
T = TB
reaction
B + T (exothermic reactions)

Based on the modified value of KB
EQ
B, the equilibrium concentrations and thus the conversions of
each component are also modified.

If the approach to equilibrium is specified on a fractional conversion basis, the change in moles of
each component is a fraction of the equilibrium change, where is between 0 and 1. When is
zero, no reaction occurs, and when is one the reaction goes all the way to equilibrium. The
approach is given by:
Reaction Data


= A + BT + CTP
2
P

and the default values are A = 1.0, B = 0.0, C = 0.0.

When approach to equilibrium is used, the settings provided with the Reaction Data are default
values. For any individual reactor using this reaction, the approach to equilibrium may be
modified on a per reactor basis.

In a reactor, the equilibrium calculations are solved separately from kinetic and conversion
calculations. Two calculation options are available, either Feed or Reaction (these options are
found in the reactor, not the Reaction Data). When the Feed option is selected, the reactor feeds
will be brought to equilibrium before being added to the reactor. When the Reaction option is
selected, an effective reaction rate is computed that would bring the contents to equilibrium in
one time period. The rate is then added to the other rates of change resulting from feed and
product flows and kinetic reactions (if any), to determine the overall rates of change. The Feed
option will favor steady state accuracy over dynamics, whereas Reaction will favor dynamic
accuracy over steady state. The Reaction option should not be used with small volumes and small
residence times.

Conversion Data

If the reaction type is set to Conversion, then the data on the Conversion tab are used to define a
direct steady state conversion fraction of one of the reactants in the feed. The conversion fraction
is given by the expression:

= A + BT + CTP
2
P

where is limited between 0 and 1.

The value of will then give the fraction of the given base component in the feed (or sum of
feeds) that is converted by the reaction. The base component must be a reactant, and the other
reactants and products will follow by stoichiometry.

The conversion basis has options of Feed or Reaction, but only Feed should be used. The
Reaction option is a future feature and the results of using it at present are indeterminate.

Heat of Reaction Data

You may choose to have Dynsim calculate the heat of reaction, at a reference state of 298.15 K
and vapor phase, from the heats of formation of the reactants and products.

Alternatively, you may enter a heat of reaction based on one of the components in the reaction.
In this case, enter the heat of reaction, in energy units per mole of reference component
converted, select the Reference Component, enter the Reference temperature and pressure, and
select the Reference Phase at which the heat of reaction has been measured. The default
reference state of 298.15 K and vapor phase may be changed. Data are commonly provided where
the reference state of reactants and products are their standard states at 298.15 K and 101.325
kPa. In this case, the reference phase should be set to Standard States rather than Vapor or Liquid.
Reaction Data


Examples

Example 1 (Power Law Kinetics)

A 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. The components and Reaction Data for the three independent
reactions are given as follows:

Component Formula
Chlorine ClB
2
B
Propylene CB
3
BHB
6
B
Ally Chloride CB
3
BHB
5
BCl
Hydrochloric Acid HCl
1,2-Dichloropropane CB
3
BHB
6
BClB
2
B
1,3-Dichloropropene CB
3
BHB
4
BClB
2
B

Kinetic Data

ClB
2
B + CB
3
BHB
6
B CB
3
BHB
5
BCl + HCl

) ( ) ( 10 1 . 2
6 3 2
)) /( 27010 ( 11
H C Cl
RT
C C e Rate =

ClB
2
B + CB
3
BHB
6
B CB
3
BHB
6
BClB
2
B

) ( ) ( 10 19 . 1
6 3 2
)) /( 6812 ( 7
H C Cl
RT
C C e Rate =

ClB
2
B + CB
3
BHB
5
BCl CB
3
BHB
4
BClB
2
B + HCl

) ( ) ( 10 69 . 4
5 3 2
)) /( 42300 ( 14
Cl H C Cl
RT
C C e Rate =

where:
CB
i
B - Mole concentration of the component i.

All reaction rates are in lb-mol/ ftP
3
P-hr, activation energies are in Btu/lb-mol, all reactions take
place in the vapor phase, and heat of reaction will be calculated from the heat the formation by
the system. The Reaction Data of the first reaction can be defined as follows:

RXN:RXNDATA1
RateMethod POWER LAW Power Law Kinetics
BulkFlag 0 Bulk basis reaction
VapPhase 1 Vapor phase reaction
LiqPhase 0 Liquid phase reaction
Reaction Data


Liq2Phase 0 Liquid 2 phase reaction
S[CL2] -1 Stoichiometric coefficient
S[C3H6] -1 Stoichiometric coefficient
S[C3H5CL] 1 Stoichiometric coefficient
S[HCL] 1 Stoichiometric coefficient
S[CB
3
BHB
6
BCL2] 0 Stoichiometric coefficient
S[CB
3
BHB
4
BCL2] 0 Stoichiometric coefficient
HRxnMethod SYSTEM Heat of reaction method
NormFlag true Normalization Flag
BaseComp CL2 Base component
Factor 1 Reaction factor
K 2.1E11 Pre-exponential factor
E 27010 Btu/lb-mol Boundary temperature
TExp 0 Temperature exponent
A[CL2] 1 Component activity exponent
A[C3H6] 1 Component activity exponent
A[C3H5CL] 0 Component activity exponent
A[HCL] 0 Component activity exponent
A[C3H6CL2] 0 Component activity exponent
A[C3H4CL2] 0 Component activity exponent
VapActivityBasis CONCENTRATION Vapor activity basis
Tuom F Temperature unit
Puom PSIA Pressure unit
Wuom LB Weight unit
Vuom FT3 Volume unit
Timeuom HR Time unit
PFactor 1 Pressure conversion factor
WFactor 1 Weight conversion factor
VFactor 1 Volume conversion factor

Example 2 (LHHW Kinetics)

Steam reforming is a reversible reaction. The reaction takes place in multi tubular catalytic
reactor. The components and Reaction Data for the forward and reverse reactions are given as
follows:

Component Formula
Methane CHB
4
B
Water HB
2
BO
Hydrogen HB
2
B
Carbon monoxide CO

Kinetic Data (Forward reaction)

CHB
4
B + HB
2
BO 3HB
2
B+ CO

Reaction Data


Kinetic data (Reverse reaction)

3HB
2
B + CO CHB
4
B+HB
2
BO

All reaction rates are in kg-mol/ mP
3
P-hr, activation energies are in kJ/kg-mol, temperature in K,
pressure in kPa. All reactions take place in the vapor phase, and heat of reaction will be
calculated from the heat the formation by the system. The reaction rate for the above reactions is
expressed as follows:

2
1
3
5 . 2
1
2
2
2 4 4 2 2
2
2 4
2
1

+ + + +
=
H
O H
O H CH CH H H CO CO
CO H
O H CH
H
p
p
K p K p K p K
K
p p
p p
p
k
r

where:
T
e k
/ 28879 16
1
10 49 . 9

=
T
e K
/ 26830 11 . 30
1
10266

=
T
CH
e K
/ 4604 6
10 65 . 6
4
=
T
O H
e K
/ 10666 3
10 77 . 1
2
=
T
H
e K
/ 9971 11
10 12 . 6
2
=
T
CO
e K
/ 8498 7
10 23 . 8

=

The above rate expression can be fitted with two numerator terms and one denominator term and
represented in the form:

2
2 1
D
N N
r =
The individual power law terms such as KB
CH4
BpB
CH4
B will be represented by a separate Reaction Data
model, and the configuration can be graphically represented as:

The Reaction Data model R1 is configured in the DEW to represent the above picture:

Reaction Data


The Reaction Data of the forward reaction can be defined as follows:

RXN:R1
DEFAULTPHASE VAPOR Default activity phase
VAPACTIVITYBASIS PARTIALPRES Vapor activity basis
DEFAULTTYPE KINETIC Default reaction type for this reaction
S 7 Reaction stoichiometric coefficient
S[METHANE] -1 Reaction stoichiometric coefficient
S[CO] 1 Reaction stoichiometric coefficient
S[CO2] 0 Reaction stoichiometric coefficient
S[H2] 3 Reaction stoichiometric coefficient
S[N2] 0 Reaction stoichiometric coefficient
S[H2O] -1 Reaction stoichiometric coefficient
S[O2] 0 Reaction stoichiometric coefficient
STATUS ACTIVE Reaction status
TUOM K Temperature UOM
PUOM kPa Pressure UOM
WUOM kg Weight UOM
VUOM mP
3
P Volume UOM
TIMEUOM hr Time UOM
HRXNMETHOD SYSTEM Heat of reaction calculation method
RATEMETHOD LHHW Kinetics rate calculation method
NUMTERMS 2 Number of LHHW multiplying terms
Reaction Data


NUMK1 0 Constant in first multiplying term
NUMK2 0 Constant in second multiplying term
NUMEXP1 1 Exponent of the first multiplying term
NUMEXP2 1 Exponent of the second multiplying term
ORXNDATANUM1 1 Power law terms in the numerator
ORXNDATANUM1[0] R1K Power law terms in the numerator
ORXNDATANUM2 2 Power law terms in the numerator
ORXNDATANUM2[0] R1F Power law terms in the numerator
ORXNDATANUM2[1] R1R Power law terms in the numerator
DENTERMS 1 Number of LHHW dividing terms
DENK1 1 Constant in first dividing term
DENEXP1 2 Exponent of the first dividing term
ORXNDATADEN1 4 Power law terms in the denominator
ORXNDATADEN1[0] KCO Power law terms in the denominator
ORXNDATADEN1[1] KH2 Power law terms in the denominator
ORXNDATADEN1[2] KCH4 Power law terms in the denominator
ORXNDATADEN1[3] KH2O Power law terms in the denominator

Consider now the Reaction Data model R1R, which represents the term

in the rate expression. We need to convert this to the general power law form that the Reaction
Data model can accept. We know that
T
e K
/ 26830 11 . 30
1
10266

= , then

where:
T is the temperature in K and
R = 8.314 kJ/kmol-K.

Here is how R1R is configured:

Reaction Data


RATEMETHOD LHHW_POWERLAW Kinetics rate calculation method
K -8.16E-18 Arrhenius pre-exponential factor
E -223064.62 kJ/kg-mol Activation energy
A[METHANE] 0 Reaction order
A[CO] 1 Reaction order
A[CO2] 0 Reaction order
A[H2] 3 Reaction order
A[N2] 0 Reaction order
A[H2O] 0 Reaction order
A[O2] 0 Reaction order

The other Reaction Data models (R1K, R1F etc.) can be configured in a similar manner.
Reaction Data


Example 3 (LHHW Kinetics)

Ethylene oxide is produced by reacting ethylene and oxygen over -alumina catalyst. The
relevant reactions are,

) 2 ( 2 2 3
) 1 ( 5 . 0
2 2 2 4 2
4 2 2 4 2
O H CO O H C
O H C O H C
+ +
+

The LHHW kinetics for reaction (1) and (2) are as follows,

EO
EO
H
H
C
C
E
E
O E
P K P K P K P K
P P k
Rate
+ + + +

=
1 1 1 1
13 . 0 1
1
1

EO
EO
H
H
C
C
E
E
O E
P K P K P K P K
P P k
Rate
+ + + +

=
2 2 2 2
14 . 0 2
2
1

where:
) / 2370 exp( 10 68 . 3
0009 . 0
00087 . 0
0003 . 0
) / 8068 exp( 2572 . 0
6 1
1
1
1
1
T K
K
K
K
T k
H
EO
C
E
=
=
=
=
=

) / 3430 exp( 10 04 . 4
00049 . 0
00114 . 0
00049 . 0
) / 8068 exp( 178
7 2
2
2
2
2
T K
K
K
K
T k
H
EO
C
E
=
=
=
=
=

PB
E
B = Partial pressure of ethylene (Pa)
PB
O
B = Partial pressure of oxygen (Pa)
PB
C
B = Partial pressure of carbon dioxide (Pa)
PB
H
B = Partial pressure of water (Pa)
PB
EO
B = Partial pressure of ethylene oxide (Pa)

RXN: RXNDATALHHW
RateMethod LHHW LHHW kinetics
NumTerms 1 Number of numerator terms
ORxnDataNum1 PN11 First power law term for numerator
NumExp[0] 1 Exponent for 1st numerator term
NumK[0] 0 K in 1st numerator term
DenTerms 1 Number of denominator terms
ORxnDataDen1 PD11 Power law terms in 1st term of
Reaction Data


PD12
PD13
PD14
denominator
DenExp[0] 1 Exponent for 1st denominator term
DenK[0] 1 K in 1st denominator term
NormFlag true Normalization Flag
BaseComp ETHYLENE Base component
Factor 1 Reaction factor
VapActivityBasis PARTIALPRESSURE Vapor activity basis
Tuom K Temperature unit
Puom Pa Pressure unit
Wuom KG Weight unit
Vuom M3 Volume unit
Timeuom SEC Time unit
PFactor 1 Pressure conversion factor
WFactor 1 Weight conversion factor
VFactor 1 Volume conversion factor
S[O2] -0.5 Stoichiometric coefficient
S[C2H4O] 1 Stoichiometric coefficient
S[CO2] 0 Stoichiometric coefficient
S[H2O] 0 Stoichiometric coefficient

RXN:PN11
RateMethod LHHW _POWER LAW Power law used in LHHW kinetics
K 0.2572 Pre-exponential factor
E 8068 kJ/kg-mol Boundary temperature
A[O2] 0.13 Component activity exponent
A[C2H4O] 0 Component activity exponent
A[CO2] 0 Component activity exponent
A[H2O] 0 Component activity exponent

RXN:PD11
A[O2] 0 Component activity exponent

Reaction Data


RXN:PD12

RXN:PD13
K 3.68.10-6 Pre-exponential factor

RXN:PD14

User can define data for second reaction in the similar fashion.
Reaction Data


Example - 4

In this example C2 cracking and C3 cracking are modeled as extent of reactions with the
reactions going to completion.

The components and Reaction Data for the C2 cracking are given as follows:

Component Formula
Methane CHB
4
B
Ethane CB
2
BHB
6
B
Hydrogen HB
2
B

Conversion Data

CB
2
BHB
6
B + HB
2
B 2CHB
4
B

The base component for conversion is set to ethane and the fractional conversion is set to 1
(constant). Note that complete conversion of ethane will only be permitted when the feed
contains sufficient hydrogen. The Reaction Data of the C2 - cracking can be defined as follows:

RXN:RXNDATA1
DefaultType CONVERSION Default reaction type
S[H2] -1 Stoichiometric coefficient
S[CH4] 2 Stoichiometric coefficient
CBaseComp ETHANE Base component for
conversion reactions
CBasis FEED Conversion basis
ConvA 1 A Coefficient
ConvB 0 B Coefficient
ConvC 0 C Coefficient

The components and Reaction Data for the C3 - cracking are given as follows:

Component Formula
Methane CHB
4
B
Propane CB
3
BHB
8
B
Hydrogen HB
2
B

Conversion Data

CB
3
BHB
8
B + 2HB
2
B 3CHB
4
B

The base component for conversion is set to propane and the fractional conversion is set to 1
(constant). Note that complete conversion of propane will only be permitted when the feed
contains sufficient hydrogen. The Reaction Data of the C3 - cracking can be defined as follows:

RXN:RXNDATA2
Reaction Data


DefaultType CONVERSION Default reaction type
S[H2] -2 Stoichiometric coefficient
S[CH4] 3 Stoichiometric coefficient
CBaseComp PROPANE Base component for
conversion reactions
CBasis FEED Conversion basis
ConvA 1 A Coefficient
ConvB 0 B Coefficient
ConvC 0 C Coefficient

Example 5 (Equilibrium)

The steam reforming reaction in example 2 above may also be modeled as an equilibrium
reaction. This is a simpler approach that may be applied if kinetic data are not available. The
components in the reaction as before, are:

Component Formula
Methane CHB
4
B
Water HB
2
BO
Hydrogen HB
2
B
Carbon monoxide CO

Equilibrium Data

CHB
4
B + HB
2
BO = 3HB
2
B+ CO

For this reaction the equilibrium constant is given by:

O H CH
CO H
EQ
p p
p p
K
2 4
2
3
=

where:

T
K
EQ
26830
35 . 39 ln =

Pressure has units of kPa, temperature of K, and KB
EQ
B has units of kPaP
2
P.

The reaction data parameters are therefore set up as follows:

DefaultType EQUILIBRIUM Default reaction type
DefaultPhase VAPOR Default activity phase
VapActivityBasis PARTIALPRES Vapor activity basis
S[CO] 1 Stoichiometric coefficient
Reaction Data


S[H2] 3 Stoichiometric coefficient
S[H2O] -1 Stoichiometric coefficient
S[METHANE] -1 Stoichiometric coefficient
PUOM KPA Pressure UOM
TUOM K Temperature UOM
EqmA 39.35 A Coefficient
EqmB -26830 B Coefficient
AppToEqm NONE Approach to eqm method
HRxnMethod SYSTEM Heat of reaction calculation method

Reaction Data



Basic Tab

Reaction Data Status

The Reaction Data Status, which corresponds to the Status parameter, is either Active or Passive.
Status provides a mechanism to turn on or off this particular reaction referenced by all the
Reaction Data Sets.

Default Reaction Type

The Default Reaction Type corresponds to the DefaultType parameter. It sets the default type of
calculation performed by the reaction. The available options are Kinetic, Equilibrium and
Conversion. The default is Kinetic. Equipment models start out with this setting, but it can be
changed on the Reactions tab of individual models.

Default Activity Phase

The Default Activity Phase corresponds to DefaultPhase parameter. The Activity Phase relates to
the Activity Basis parameters. The activity basis is a property of each component (e.g.
concentration or partial pressure) used in kinetics and equilibrium calculations. Any component
that is specified to have an active phase of vapor will use the vapor activity basis, and any
component that has an active phase of liquid or liquid 2 will use the liquid activity basis.
Reaction Data


In kinetic calculations, each reactant can have an individual and different active phase. However,
for equilibrium calculations, the reactant mixture is treated as homogeneous and all components
will automatically use the default activity basis specified.

Vapor Activity Basis

The Vapor Activity Basis corresponds to the VapActivityBasis parameter. This parameter is used
by any component active in the vapor phase. The options are Concentration, Partial Pressure or
Mole Fraction.

Liquid Activity Basis

The Liquid Activity Basis corresponds to the LiqActivityBasis parameter. This parameter is used
by any component active in the liquid or liquid 2 phases. The options are Concentration, Partial
Pressure or Mole Fraction. Note that although Partial Pressure is present, it is not particularly
meaningful in a liquid phase.

Units

Sometimes the rate equations are specified in units other than the Dynsim internal default UOM.
In these fields, the user can specify the desired units.

The temperature corresponding to the TUOM parameter specifies the temperature units applied
for all functions of temperature on the kinetics, equilibrium and conversion tabs.

The pressure corresponding to the PUOM parameter specifies the pressure units applied for all
functions of temperature on the kinetics, equilibrium and conversion tabs. The preconfigured
options for Pressure are kPa, atm, psia and other. If other is selected then the given conversion
factor is applied to the Dynsim internal units of kPa.

The other units of measurement for weight, volume and time correspond to the parameters
WUOM, VUOM, and TIMEUOM respectively. For details, see Temperature and Pressure
above.

Reaction Data


Stoichiometry

Reactant Stoichiometry and Product Stoichiometry correspond to the S parameter and defines the
reaction formula as used by heat of reaction, kinetic, equilibrium and conversion data tabs.

The reactants and products are specified by the stoichiometric ratios in which they react.
Components with a no entry are not included in the reaction.

It is best to select the component slate on the Thermo tab before configuring the reaction
stoichiometry. Defining and using a component slate with the smallest list of reacting components
included will make it easier to configure the reaction data.

Reaction Data


Heat of Reaction Tab

Heat of Reaction

Heat of Reaction method corresponds to the HRxnMethod parameter. This parameter indicates
whether the heat of reaction will be user-specified or calculated from the components heats of
formation.

User Specified

Reference Component corresponds to the RefComp parameter. This entry specifies the reference
component for the heat of reaction. This component should be a reactant or product in the
reaction.

Reference Phase corresponds to the RefPhase parameter. This parameter defines the phase of the
reactants and products for which the heat of reaction is given. Vapor indicates that all the
reactants and products are in the vapor phase, Liquid indicates that they are in the liquid phase,
and standard state indicates the normal state of reactants and products at the specified temperature
and pressure. Note that heats of reaction are often given with reactants and products in their
standard states at 298 K and 101.325 kPa respectively.

Heat of Reaction corresponds to the HRxn parameter. For the User-Specified option, this entry
specifies the heat of reaction per mole of reference component reacted. A negative value
indicates an exothermic reaction.
Reaction Data


Reference Temperature corresponds to the RefTemp parameter. The RefTemp is used to specify
the reference temperature for the heat of reaction calculation. The default is 298.15 K.

Reference Pressure corresponds to the RefPres parameter. The RefPres is used to specify the
reference pressure for the heat of reaction calculation. The default is 101.325 kPa.
Reaction Data


Kinetic Data Tab

Rate Method

The Rate Method corresponds to the RateMethod parameter. There are three rate method options
available; Power Law, LHHW Kinetics, and Power Law for LHHW.

Power Law corresponds to the kinetics method that has been included with previous Dynsim
versions.

Kinetic Data

Base component normalization corresponds to the NormFlag parameter. This is linked to Base
Component. If Base Component Normalization is checked, the reaction rate is calculated per
mole of the base component specified. If it is unchecked, the reaction rate applies to the reaction
stoichiometric equation.

Base Component corresponds to the BaseComp parameter. This is the reference component used
for the reaction rate if the Base Component Normalization box is checked. This component
should be a reactant or a product in the reaction.

Reaction Factor corresponds to the Factor parameter. This parameter can be used to simulate the
reaction efficiency or catalyst activity by multiplying the reaction rate with this value. The
default value is 1.
Reaction Data


Pre-Exponential Factor corresponds to the K parameter and specifies the Pre-Exponential factor
or frequency factor in the reaction power law expression. The default value is 0.

Activation Energy corresponds to the E parameter. This parameter specifies the activation energy
of the reaction. The default value is 0.

Temperature Exponent corresponds to the TExp parameter. The parameter specifies the
temperature exponent in the Power law rate expression. The default value is 0.

Reaction Order corresponds to the A parameter. This parameter specifies the component activity
exponent in the Power law rate expression. The default value is 0 for all components.

The Activity Phase corresponds to the RatePhase parameter. This parameter allows the active
phase for each individual component to be modified from the default setting. It is possible, for
example, to have a component like hydrogen active in the vapor phase using partial pressure, and
a heavy component like a hydrocarbon active in the liquid phase using concentration.

LHHW Kinetic Data

The following additional parameters will be available if the RateMethod parameter is LHHW
Kinetics:

The number of multiplying terms in the numerator and the denominator of the rate expression
correspond to the NumTerms and DenTerms parameters respectively.

The numerator/ denominator term indicates which term in the numerator/denominator the
following values of Exponent, K and Rxn Data apply to.

The power to which the corresponding numerator or denominator term is raised in the rate
expression corresponds to the NumExp1 to NumExp5 and DenExp1 to DenExp5 parameters
respectively

The constants added to the sum of power law expressions in the corresponding numerator and
denominator terms are related to NumK1 to NumK5 and DenK1 to DenK5 parameters
respectively.

The parameters ORxnDataNum1 to ORxnDataNum5 and ORxnDataDen1 to ORxnDataDen5
correspond to the list of individual power law expressions added with constants in the
corresponding numerator and denominator terms.
Reaction Data


Equilibrium Data Tab

Equilibrium Constant

The Equilibrium Constant corresponds to the EqmAEqmH parameters. These parameters
define the equilibrium constant as a function of temperature. These entries are not used unless the
reaction is designated as an equilibrium reaction.

Extent of Reaction

The Approach Method corresponds to the AppToEqm parameter. Optionally, a partial approach
to equilibrium can be specified. The options are; Temperature approach (DelTat) and Fractional
approach (ConvFrac)

The Temperature Approach corresponds to the EqmDt parameter. If approach to equilibrium is
specified as temperature, then this is the temperature approach in the global temperature units
given on the basic tab. For exothermic reactions, the equilibrium constant is calculated as T + T
instead of T, where T is the temperature approach. For endothermic reactions, the equilibrium
constant is calculated at T T. The default value set here can be modified on the Reaction tab
of each individual reactor.

Reaction Data


The fractional approach constants EqmFracA, EqmFracB, EqmFracC specify a fractional
conversion between zero (no conversion) and 1 (all the way to equilibrium). Temperature is in the
global temperature units from the Basic tab. The calculated value is always limited between 0 and
1. The default values of A, B and C set here can be modified on the Reaction tab of each
individual reactor.
Reaction Data


Conversion Data Tab

Extent of Reaction

The Conversion Basis corresponds to the CBasis parameter. This parameter defines the extent of
conversion that can either be applied to the feed stream or the reaction mixture.

Note: Only the Feed option works correctly.

The Base Component corresponds to the CBaseComp parameter. This is the base component for
the fractional conversion. It must be one of the reactants.

The fractional conversion constants ConvA, ConvB, ConvC specify the fraction of the base
component that is converted, where 0 is no conversion and 1 is complete conversion. The fraction
of conversion will be limited to prevent any concentrations becoming negative due to insufficient
reactants. The default values of A, B and C set here can be modified on the Reaction tab of each
individual reactor.
Reaction Data


Thermo Tab

Thermo Options

Component slate corresponds to the CompSlate parameter. For preference, define and select a
component slate that contains only the components that take part in reactions. This will simplify
the configuration of the other tabs and make the calculations more efficient.

There is no requirement for the component slate selected here to match the component slates used
in the reactor models that reference this reaction.

Reaction Data


Notes Tab

Reaction Data


Parameter Table

Basic
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Status
Reaction Data Status
0 = PASSIVE
1 = ACTIVE
It can be either ACTIVE or PASSIVE. This is a
mechanism to turn on or off the reaction in all
the data sets that reference the reaction.
KI ACTIVE No
DefaultType
Default Reaction Type
The default type of reaction calculated by
objects using this data model.
KI KINETIC
DefaultPhase
Default Activity Phase
For kinetic reactions, this is the default phase
for calculating the activity of each component in
the reaction rate. It may be modified on a per
component basis using the RATEPHASE
parameter. For equilibrium reactions, this is the
assumed phase for calculation of all the
activities. Equilibrium reactions are assumed
single phase and are computed without
reference to phase equilibrium.
KI VAPOR
VapActivity
Basis
Vapor Activity Basis
This parameter specifies the activity basis for
components that are active in the vapor phase.
0 - CONCENTRATION
1 - PARTIALPRES
2 - MOLEFRACTION.
The selected activity will be calculated based on
the vapor phase property. For instance, if
PARTIALPRES is selected, then the partial
pressure of this component in the vapor phase
will be used.
KI
PARTIAL
PRES

LiqActivity
Basis
Liquid Activity Basis
This parameter specifies the activity basis for
components that are active in a liquid phase.
0 - CONCENTRATION
1 - PARTIALPRES
2 - MOLEFRACTION.
The selected activity will be calculated based on
the liquid phase property. For instance, if
CONCENTRATION is selected, then the
concentration of this component in the selected
liquid phase will be used.
KI
CONCEN
TRATION

Reaction Data


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Tuom
Temperature Unit
This parameter specifies the temperature unit
for expressions in kinetic, equilibrium and
conversion equations. Allowable options are:
0 = K
1 = C
2 = F
3 = R
KI No K
Puom
Pressure Unit
This parameter specifies the pressure unit for
expressions in kinetic, equilibrium and
0 = kPa
1 = Atm
2 = Psia
3 = OTHER_P
KI No kPa
PFactor
Pressure Conversion Factor
This parameter specifies the pressure
conversion factor from kPa to the user specified
pressure unit when the OTHER option is
selected in the Puom. The default value is 1.
KD 1 No
Wuom
Weight Unit
This parameter specifies the mass unit for
0 = KG
1 = LB
2 = OTHER_W
KI No kg
WFactor
Weight Conversion Factor
This parameter specifies the weight conversion
factor from kg to the user specified weight unit
when the OTHER option is selected in the
Wuom. The default value is 1.
KD 1 No
Vuom
Volume Unit
This parameter specifies the volume unit for
0 = M3
1 = L
2 = FT
3 = OTHER_V
KI No mP
3
P
VFactor
Volume Conversion Factor
This parameter specifies the volume conversion
factor from M3 to the user specified volume unit
when the OTHER option is selected in the
Vuom. The default value is 1.
KD 1 No
Timeuom
Time Unit
This parameter specifies the time unit for
KI No sec
Reaction Data


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
0 = SEC
1 = MIN
2 = HR

Stoichiometry
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
S
Stoichiometric coefficients
It defines the stoichiometric coefficients for the components
listed in the CompSlate. Negative values represent reactants
and positive values represents products.
KD 0 No
Comp
Slate

Heat of Reaction
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
HRxn
User-specified heat of reaction
When HrxnMethod is USER, this gives the molar heat
of reaction to be used.
DD0 No
kJ/kg-
mol
HRxnMethod

Heat of reaction calculation method
0 = SYSTEM
1 = USER
If SYSTEM, then the heat of reaction will be
calculated as HForm(Products) - HForm(Reactants).
If USER, then the value of the HRxn parameter will
be used.
KI SYSTEM No
HForm
Heat of formation
If HFORMMETHOD is USER for this component, the
system databank heat of formation will be overridden
by the assigned value of this parameter. Either way,
the view mode value will reflect the value actually
used.
KD7 size
HFormMethod
Heat of formation calculation method
If USER, the assigned value of the HFORM value for
this component will be used in place of the system
value when calculating the SYSTEM heat of reaction
for this component. It will have no effect on the USER
heat of reaction.
KI 7 size
HRxnSys System calculated heat of reaction DD0
kJ/kg-
mol
HRxnAdj Adjusted heat of reaction DD0
kJ/kg-
mol
RefComp
Reference component for user heat of reaction
If HrxnMethod is USER, then this gives the reference
KI No
Reaction Data


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
component for which the user-supplied heat of
reaction is stated. If HrxnMethod is SYSTEM, this
parameter may be left blank. The reference
component must be a reactant or a product.
RefTemp
Reference Temperature
The reference temperature for the user-specified heat
of reaction.
DD298.15 No K
RefPhase
Reference Phase
This entry is used to specify the reference state for the
user specified heat of reaction. Allowable options
are:
0 = VAPOR - reactants and products in vapor state
1 = LIQUID - reactants and products in liquid state
2 = STDSTATE - reactants and products in standard
states
DDVapor No
RefPres
Reference pressure
The reference pressure for the user-specified heat of
reaction.
DD101.32 No kPa

Kinetic Data
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
RateMethod
Kinetics rate calculation method
When the reaction TYPE is KINETIC, this
specifies the form of kinetic equation used.
0 POWERLAW
1 LHHW
2 LHHW_POWERLAW
LHHW_POWERLAW is special and may
only used to construct a term in the LHHW
model; any other use is an error.
KI
POWER
LAW
No
NormFlag
Normalization Flag
If this flag is TRUE, the reaction rate
applies directly to the base component
(specified with BASECOMP). If FALSE, the
reaction rate applies to the reaction
equation and the rate of any component is
equal to the base rate times the
stoichiometric coefficient of that
component. The default value is true.
KI True No
BaseComp
Base component for reaction rate
If NORMFLAG is TRUE, the reaction rate
gives the molar rate of change of this
component in the reaction. If NORMFLAG
is FALSE, this entry may be left blank. This
component should be a reactant or product
KD No
Reaction Data


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
in the reaction.
K
Arrhenius pre-exponential factor
This parameter is constant multiplying
factor in the power law rate expression.
KD 1 Yes
E
Activation Energy
This parameter specifies the activation
energy of the reaction. The default value is
0.
KD 0 Yes
kJ/kg
-mol
TExp
Temperature Exponent
This parameter specifies the temperature
exponent in the power law rate expression.
KD 0 Yes
A
Reaction order
The power each component is raised to in
the power law rate expression.
KD 0 Yes
CompS
late

RatePhase
Component activity phase
This is the active phase for calculation of
the activity term for this component in the
reaction rate. It defaults to
DEFAULTPHASE but can be changed for
individual components.
KI 7
CompS
late

BulkFlag
Reaction occurs through out the total
mixture
If BULKFLAG is true, specifies that this
reaction takes place in the total mixed
volume of the reactor.

BulkBasis
Bulk Activity Basis
This parameter specifies the activity basis
for the Bulk Basis reaction. Allowable
options are:
0 = CONCENTRATION
1 = PARTIALPRES
2 = MOLEFRACTION.
The selected activity will be calculated
based on the bulk property in the reactor.
For instance, if the PARTIALPRES is
selected, then the partial pressure of
component i will be calculated as the
product of total system pressure and bulk
mole fraction.
KI
CONCE
NTRATI
ON
No
VapPhase
Vapor Phase Reaction
If BULKFLAG is false, specifies whether
this reaction takes place in the vapor
phase. The default value is false.
KB 0 No
LiqPhase
Liquid Phase Reaction
KB 0 No
Reaction Data


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
this reaction takes place in the first liquid
phase. The default value is false.
Liq2Phase
Liquid2 Phase Reaction
this reaction takes place in the second
liquid phase. The default value is false.
KB 0 No
LHHW Kinetics
NumTerms
Number of LHHW multiplying terms
This parameter specifies the number of
multiplying terms in LHHW kinetic
expression.
KD 1
NumK1, NumK2,
NumK3, NumK4,
NumK5
Constants in the first to fifth multiplying
terms
This parameter specifies the K term for the
first to fifth numerator term.
KD 0 Yes
NumExp1,
NumExp2,
NumExp3,
NumExp4,
NumExp5
NumExp5
Exponents of the first to fifth multiplying
terms
This parameter specifies the exponent for
the first to fifth numerator terms.
KD 1 Yes
DenTerms
Number of LHHW dividing terms
This parameter specifies the number of
dividing terms in LHHW kinetic expression.
KD 1
DenK1, DenK2,
DenK3, DenK4,
DenK5
Constants in the first to fifth dividing terms
This parameter specifies the K term for the
first to fifth denominator term.
KD 0 Yes
DenExp1,
DenExp2,
DenExp3,
DenExp4,
DenExp5
Exponents of the first to fifth dividing terms
This parameter specifies the exponent for
the first to fifth denominator terms. KD 1 Yes
ORxnDataNum
Power law terms in the numerator
This parameter specifies the Power law
terms in the first to fifth numerator terms. It
is an array of RxnData names.
0
ORxnDataDen
Power law terms in the denominator
This parameter specifies the Power law
terms in the first to fifth denominator terms.
It is an array of RxnData names.
0

Reaction Data


Conversion
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
CBaseComp
Base component for conversion
A feed component in the reaction on which the fractional
conversion is based.

CBasis
Conversion basis
The conversion basis to be used if the reaction type is
CONVERSION. Allowable options are:
0 = FEED
1 = REACTION
KI FEED
ConvA
Conversion A
Coefficient A/C0 in the temperature function for fractional
conversion.
Conv = A + BT + CTP
2
P
KD 1 Yes
ConvB
Conversion B
Coefficient B/C1 in the temperature function for fractional
conversion.
Conv = A + BT + CTP
2
P
KD 0 Yes
ConvC
Conversion C
Coefficient C/C2 in the temperature function for fractional
conversion.
Conv = A + BT + CTP
2
P
KD 0 Yes

Equilibrium
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
EqmA
Equilibrium constant coefficient A
Coefficient A in the expression
ln(K) = A + B/T + C ln(T) + DT + ETP
2
P + FTP
3
P + GTP
4
P + HTP
5
P
KD 0 Yes
EqmB
Equilibrium constant coefficient B
Coefficient B in the expression
2
P + FTP
3
P + GTP
4
P + HTP
5
P
KD 0 Yes

EqmC
Equilibrium constant coefficient C
Coefficient C in the expression
2
P + FTP
3
P + GTP
4
P + HTP
5
P
KD 0 Yes

EqmD
Equilibrium constant coefficient D
Coefficient D in the expression
2
P + FTP
3
P + GTP
4
P + HTP
5
P
KD 0 Yes

EqmE
Equilibrium constant coefficient E
Coefficient E in the expression
2
P + FTP
3
P + GTP
4
P + HTP
5
P
KD 0 Yes

EqmF
Equilibrium constant coefficient F
Coefficient F in the expression
2
P + FTP
3
P + GTP
4
P + HTP
5
P
KD 0 Yes

EqmG
Equilibrium constant coefficient G
Coefficient G in the expression
2
P + FTP
3
P + GTP
4
P + HTP
5
P
KD 0 Yes

Reaction Data


Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
EqmH
Equilibrium constant coefficient H
Coefficient H in the expression
2
P + FTP
3
P + GTP
4
P + HTP
5
P
KD 0 Yes

Equilibrium Approach
AppToEqm
Approach to equilibrium method
The approach to equilibrium can be specified in one of the
following ways:
0 - NONE (Exactly at equilibrium)
1 - DELTAT (Temperature approach)
2 - CONVFRAC (Fractional approach)
KI None

EqmDt
Approach to equilibrium in terms of temperature
In this case Keq (equilibrium constant) is computed at
temperature T, where
T = Treaction - DT (endothermic reactions)
T = Treaction + DT (exothermic reactions)
KD 0 Yes

K
EqmFracA
Equilibrium approach coefficient A
Coefficient A in equation for fractional approach to
equilibrium.
Approach = A + BT + CTP
2
P
KD 1 Yes

EqmFracB
Equilibrium approach coefficient B
Coefficient B in equation for fractional approach to
equilibrium.
2
P
KD 0 Yes

EqmFracC
Equilibrium approach coefficient C
Coefficient C in equation for fractional approach to
equilibrium.
2
P
KD 0 Yes

Thermo
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
CompSlate
Component slate
This is the specified ModThermo component slate. It
should be consistent with the upstream and downstream
equipment.

User
Specified

Advanced
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
DEBUGFLAGS
equipment model interprets the flags in its own way.
KI 0 No

Reaction Data


Legend:
KB - Static Boolean
KI - Static Integer
KF - Static Float
KD - Static Double

SB - State Boolean
SI - State Integer
SF - State Float
SD - State Double

DF - Dynamic Float
DD - Dynamic Double

not a vector.

reaction submodel.

Reaction Data


FAQ

Q. How do I model equilibrium reactions?

A. Please refer to Example - 5, which treats steam reforming as an equilibrium reaction.

Q. How do I model equilibrium reactions for which I do not find equilibrium data?

A. We can model equilibrium reactions for which we do not have equilibrium data, correlations,
or expressions from the heat of reaction and a material balance.

It is found experimentally that the equilibrium constant may be approximated as

RT
H
k K
r
EQ
+ = ln

where HB
r
B is the heat of reaction. Thus, given a known equilibrium point and the heat of reaction,
a value for the unknown parameter k may be calculated. This may not be a perfect approach for
every reaction but it is a good first step for reactions that we cannot find data.

Q. How do I model extent of reactions?

A. Please refer to Example - 3 (Ethane and Propane Cracking) which is modeled as an extent of
reaction.

Q. How do I add more rows to my Reaction Data table?

A. Refer to FAQ section under Reaction DataSet for details on inserting rows in a Reaction Data
table.

Reaction Data Set


Reaction Data Set

Introduction

Reaction Data Set groups reactions that are defined by the Reaction Data model. Any number of
equipment models that support reactions can reference a Reaction Data Set.

Reaction Data Set



Basic Tab

Reaction Data Set Status

Reaction Data Set Status corresponds to the Status parameter. It can either be Active or Passive.
This is a mechanism to turn on or off all the reactions referenced in the Reaction Data Set.

Reaction Data

Reaction Data entries are used to define the individual reactions in the Reaction Data Set.

Reaction Name corresponds to the ORxnData array that defines all the Reaction Data objects in
the Reaction Data Set.

Reaction Data Status corresponds to the RxnStatus array that is a mechanism to turn on or off an
individual reaction in the Reaction Data Set. This value, if initialized, will be used instead of the
corresponding reactions Status parameter.

Reaction Data Set


Notes Tab

Reaction Data Set


Parameter Table
Basic
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Status
Reaction Data Set Status
0 = PASSIVE
1 = ACTIVE
This is a mechanism to turn on or off all the reactions
referenced in the Reaction Data Set.
KI ACTIVE No
ORxnData
Reaction data object(s)
It is used to define the reactions referenced in the
Reaction Data Set.
RXN
DATA
No
RxnData
Factor
Reaction Factor
This parameter can be used to multiply the reaction
rate by a constant to simulate catalyst activity or
reaction efficiency. The default value is 1.
KD 1 Yes
RxnStatus
Reaction Status
0 = PASSIVE
1 = ACTIVE
This is used to turn on or off a particular reaction
referenced in the Reaction Data Set.
KB ACTIVE No

Advanced
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
DEBUGFLAGS
Reaction Data Set Debug Flags
This parameter is a collection of binary flags That each
equipment model interprets in its own way.
KI 0 No

Legend:
KB - Static Boolean
KI - Static Integer
KF - Static Float
KD - Static Double

SB - State Boolean
SI - State Integer
SF - State Float
SD - State Double

DF - Dynamic Float
DD - Dynamic Double

not a vector.

reaction submodel.
Reaction Data Set


FAQ

Q. How do I add more rows to my Reaction Data Set table?

A. To insert additional rows in your Reaction Data Set table:

1. Select an existing row in the table.

2. Click either the Insert Before or Insert After buttons present on the left side of the table
(OR)
Right-click on the selected row and select the appropriate options.

The Insert Before button inserts a row on top of the selected row, while the Insert After button
inserts a row below the highlighted row. The procedure for inserting a new row is depicted below.

Recip Compressor


Reciprocating Compressor

Introduction

Recip Compressor is a flow device that is used to model a Recip Compressor or a Positive
Displacement Pump. Recip Compressor calculates the volumetric flow based on the pressure
difference, Shaft speed, and volumetric efficiency.

Recip Compressor calculates the shaft power, fluid flow, and fluid enthalpy rise. The speed is
calculated from a Shaft or Motor and transferred to the Recip Compressor by a mechanical
stream. The Recip Compressor sets the required power in the mechanical stream. Alternatively,
speed can be fixed.

Recip Compressor can be loaded and unloaded where the volumetric flow is proportional to the
number of cylinders in service. The loading controls are not modeled such that the loading must
be set externally.

Recip Compressor has an option of activating built in check valve such that forward flow is not
possible when the discharge pressure is lower than the suction pressure. However, a small
reverse flow is allowed to take care of gland and seal leakages.

Pulsation is not modeled. Recip Compressor does not include either fluid or metal thermal
holdup.

Recip Compressor


Fundamentals

Head calculations

The Recip Compressor has the Rigorous and GPSA methods that are identical to the methods
used by the (Centrifugal) Compressor model. Please refer to the Compressor model
documentation.

Power Calculations

The Recip Compressor power calculations are identical to the standard (Centrifugal) Compressor
model. Please refer to the Compressor model documentation.

Flow Calculations

Volumetric Efficiency is calculated from the equation:

= 1 01 . 0 0 . 1
/ 1 CpCv
i
x
x
i
i
x
v
P
P
Z
Z
C
P
P
L ETA

where:
ETAB
v
B - Volumetric efficiency (fraction)
L - Valve losses term (fraction)
PB
i
B - Pressure at inlet (kPa)
PB
x
B - Pressure at exit (kPa)
C - Clearance (fraction)
ZB
i
B - Compressibility at inlet
ZB
x
B - Compressibility at exit
CpCv - Fluid specific heat ratio

Volumetric flow is now calculated from the volumetric efficiency using the equation:

Disp ETA
Speed
Loading Q
v

=
60

where:
Q - Volumetric flow (mP
3
P/sec)
Loading - Number of cylinders in operation
Speed - Compressor speed (rpm)
Disp - Piston displacement (mP
3
P)

Flow can occur through the Recip Compressor when it is not operating based on standard
conditions and when the suction pressure is higher than the discharge pressure.

MW
MW R P
J F
f

=

Recip Compressor


where:
F - Mole flow (kg-mol/sec)
P - Pressure difference (kPa)
3
P))
KJr - Reverse flow conductance factor
RB
f
3
P)

Reverse flow through a non-operating Recip Compressor is adjusted using the KJr factor.

MW
MW R P
KJ J F
r
r

=

where:
KJr - Reverse flow conductance factor
RB
r
3
P)

For most models, this parameter is normally 1.0. But for the Recip Compressor, the default value
is 0.01 allowing only a leak flow, though for a Recip Compressor the suction and discharge
valves of a Recip Compressor are check valves and should suppress reverse flow.

Flash Calculations

The Recip Compressor has the same flashes as the (Centrifugal) Compressor model. Please refer
to the Compressor model documentation.

Recip Compressor


Example

The following example shows a motor-driven Recip Compressor. In this example, air at ambient
conditions is compressed to 505 kPa (compression ratio of about 5). The Motor is attached to the
Recip Compressor via a mechanical stream MS1.

SOURCE: SRC1
OProdStream[0] S1
Recip Compressor K1.
Mb[AIR] 1 kg-mol Boundary composition

MOTOR: M1
SpeedRef 720 rpm Reference speed.

RECIPCOMPRESSOR: K1
OFeedStream[0] S1
Source feed stream
connecting to Recip
Compressor K1.
OProdStream[0] S3
Source product stream
connecting to Header H1.
Disp 1 mP
3
P Piston displacement
C 0.05 fraction Clearance fraction
L 0.04 fraction Valve losses
Loading 1
Number of operating
cylinders
SolutionOption GPSA Solution option
J 0.1 (kg/sec)/sqrt(kPa-kg/mP
3
P) Flow conductance
CpCv 1.4 Specific heat ratio
Eta 1 Isentropic efficiency

Recip Compressor


HEADER: H1
OFeedStream[0] S3
Header feed stream coming from
Recip Compressor K1.
OProdStream[1] S4
Header product stream connecting
to Valve XV2
GeomSpec DERIVED
Vol 1 mP
3
P Volume
Area 25 mP
2
P Area
Mm 1220 kg Metal mass
DynamicsOption COMPRESSIBLE Dynamics option selected
SolutionOption ITERATED Solution option selected

VALVE: XV2
Op 0 fraction Valve open command

SOURCE: SRC2
OFeedStream[0] S5
Source feed stream connecting from
Valve XV2.
Mb[AIR] 1 kg-mol Boundary composition

Recip Compressor



Basic Tab

Design Conditions

Piston displacement refers to the Disp parameter. Clearance fraction is calculated from the
clearance volume divided by the piston displacement, and should be available from the
manufacturer.

Valve losses refer to the L parameter. GPSA recommends a typical value of 0.04.

Specific heat ratio refers to CpCv.

Isentropic efficiency refers to ETA.

Zero Speed Operation

The flow conductance corresponds to the J parameter. The Recip Compressor is sized like any
simple flow device when operating at zero speed. The default value can be used if the flow at
zero speed is not important.
Recip Compressor



Recip Compressor


External Input Tab


External Speed Calculation

Shaft speed corresponds to the Speed parameter. No entry is required if the Recip Compressor is
connected with a mechanical stream.

Cylinder Loading and Unloading

Number of operating cylinders corresponds to the Loading parameter. By default the
Compressor behaves as a single cylinder in operation. Attach a parameter reference to this
parameter to load and unload the Compressor.

Recip Compressor


Thermo Tab

Thermo Options


Phase Options


Recip Compressor


Notes Tab

Recip Compressor


Parameter Table
Basic
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
C

Clearance fraction
The clearance volume divided by the piston displacement.
KD0.05 Yes

fraction

CpCv
Specific heat ratio
The ratio of specific heats used for determining head in
case of GPSA method.
KD1.4 Yes
Disp
Piston displacement
The volume that the piston will displace that can be
calculated from the cylinder diameter times stroke length.
SD 1 Yes mP
3
P
ETA
Recip Compressor efficiency
Recip Compressor isentropic efficiency for RIGOROUS
option, and polytropic efficiency for GPSA.
KD0.7 No fraction
J
Flow Conductance
(P * R) where W is mass flow, P is pressure drop, and R
is mass density in internal units.
KD0.01 Yes
(kg/sec)/
sqrt(kPa-
kg/mP
3
P)

L
Valve Losses
This value is subtracted from the ideal volumetric
efficiency to account for losses in the valves. Use 0.09 for
nonlubricated fluids.
KD0.04

External Inputs
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Loading
Cylinder loading
This is an integer value representing the number of cylinders
used for capacity control.

DI 1.0 Yes
Speed
Shaft speed
When no mechanical stream is connected the user can set the
speed directly or through parameter referencing. This value is
set by a Shaft or Motor if a mechanical stream is connected to
the Recip Compressor.
DD 0 Yes rpm

Recip Compressor


Calculated Values
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
DH
Actual head
Recip Compressor head defined as exit enthalpy minus inlet
enthalpy.
DD 0 No kJ/kg
ETAV
Volumetric efficiency
Calculated using the methods in the GPSA handbook.

DD No fraction
Power
Power from Shaft
Power required by the Recip Compressor. This value is
negative. The power required to drive a Recip Compressor
can be obtained from a Expander, Motor connected via a
mechanical stream.
DD 0 No kJ/sec
Q
Actual volumetric flow
Actual volumetric flow through the Recip Compressor.
DD 0 No mP
3
P/sec

Topology
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
OFeedStream
Feed Stream
Recip Compressor feed stream. Identifies the feed, or
inlet, stream and its associated fluid properties. This
entry must be unique to all other feed streams in the
devices.
STREAM
OProdStream
Product Stream
Recip Compressor product stream. Identifies the
product, or outlet, stream and its associated fluid
properties. This entry must be unique to all other
product streams in the flowsheet. However, this entry
can be the same as a feed stream identifier to another
unit. OFeedStream and OProdStream cannot be the
same. Only one product stream can be connected
from the flow devices.
STREAM
OMechStream
Mechanical stream connection
Identifies the mechanical stream and associated
mechanical properties. This entry can be same as
mechanical steam identifier to another unit. When a
mechanical stream is connected to the Shaft, the Shaft
sets the speed of the Recip Compressor. Only one
mechanical stream can be connected from a Recip
Compressor.
MECH
STREAM

Recip Compressor


Legend:
KB - Static Boolean
KI - Static Integer
KF - Static Float
KD - Static Double

SB - State Boolean
SI - State Integer
SF - State Float
SD - State Double

DF - Dynamic Float
DD - Dynamic Double

not a vector.
UOM Internal units of measure

reaction submodel.

Recip Compressor


FAQ

Q. How do I start a Recip Compressor?

A. You must attach a driver. The simplest way is to place a Motor on the canvas. Connect the
Motor to the Recip Compressor with a mechanical stream. Specify the maximum Motor speed.
When you start the simulation, double click on the Motor to bring up its operator panel. Then
press start button.
Relief Valve

Relief Valve

Introduction

Relief Valve is a flow device that allows the user to model pop-acting, modulating and rupture
disk relief devices. Pop-acting valves open completely at the set pressure and do not reseat until
the pressure reaches the blowdown pressure. Modulating valves start to open at the set pressure
and are not fully opened until the pressure rises to the specified overpressure. Rupture disks
completely open at the set pressure and do not close until directed by the user.

Relief Valve can also model as a pilot operated valve where opening is dictated by the pressure in
a remote vessel.

Relief valve is based on API RP 521 equations for critical and sub-critical flow. The relief valve
requires the orifice area to calculate flow.

Relief Valve

Fundamentals

Flow Calculations

Sub-critical flow

The following sub-critical flow equation is used for calculating flow through Relief Valve for
incompressible fluids.

MW
MW R P K Area Pos
F
f d

=
75159 . 44

where:
Area - Relief Valve orifice area (mP
2
P)
F - Flow rate (kg-mol/sec)
KB
d
B- Relief Valve discharge coefficient (fraction)
Pos - Relief Valve position (fraction)
RB
f
3
P)
P - Pressure difference across the Relief Valve (kPa)

Critical flow

The following critical flow equation is used for calculating flow through Relief Valve for
compressible fluids. The fluid is considered compressible if the vapor fraction is greater than 0.1
or the density is less than 100 kg/mP
3
P.

MW
MW R UGC P K Area C Pos
F
CpCv
CpCv C
f i d
C
C
C
C
v
p
v
p

=
+
=

+
02119 . 0
1
2
520
1
1

where:
2
P)
C - Critical flow constant
CpCv - Specific heat ratio Cp/Cv
F - Flow rate (kg-mol/sec)
KB
d
B- Relief Valve discharge coefficient (fraction)
PB
i
B - Inlet (upstream) stream pressure (kPa)
RB
f
3
P)
UGC - Universal gas constant (8.3147 kJ/kg-mol/K)

Relief Valve

Reverse Flow

Reverse flow in the Relief Valve will occur when the upstream pressure is lower than the
downstream pressure and the relief valve is stuck open, perhaps due to a malfunction. The
reverse flow conductance is defined as reverse flow conductance factor times forward flow
conductance. The forward flow conductance is computed based on the sub-critical flow equation.

r r
d
KJ J J
K Area Pos J
=
= 75159 . 44

where:
2
P)
J - Forward flow conductance ((kg/sec)sqrt(kPa- kg/mP
3
P))
JB
r
B- Reverse flow conductance ((kg/sec)sqrt(kPa- kg/mP
3
P))
KJr - Reverse flow conductance factor (fraction)

If no reverse flow is desired, KJr should be set to 0.

Relief Valve Types

There are three types of Relief Valves. They are pop-acting, modulating, and rupture disk. A
pop-acting Relief Valve fully opens up rapidly when the inlet pressure is more than the set
pressure and closes when the inlet pressure goes below the blowdown pressure. This type of
Relief Valve is typically used for vapor. The user can set the time to open for pop-acting Relief
Valve. A modulating Relief Valve opening is proportional to the difference between inlet
pressure and set pressure. It is fully open when the inlet pressure reaches the pressure specified
by the overpressure.

The opening rate can be adjusted with the TimeOp parameter.

Pop-Acting

PosDemand = 0 when PB
i
B < Blowdown e SetPressur
PosDemand = 1 when PB
i
B > Set Pressure

where:
PB
i
B - Inlet pressure (kPa)
PosDemand - Position demand (fraction)
SetPressure - Set pressure (kPa)
Blowdown - Blowdown pressure (fraction)

Modulating

A rupture disk opens up completely when pressure in the vessel goes beyond the set pressure and
does not close until the user sets the parameter Repair to 1.

e SetPressur re OverPressu
e SetPressur
=
i
P
PosDemand
Relief Valve

Both pop-acting and modulating Relief Valves open with a first order response to their target
position.

TimeOp
Pos PosDemand
Pos
dt
d ) (
=

where:
PB
i
B - Inlet pressure (kPa)
OverPressure - Over pressure (fraction)
Pos - Valve position (fraction)
PosDemand - Position demand (fraction)
SetPressure - Set pressure (kPa)
TimeOp - Time to open (sec)

Pilot-operated Relief Valve

A operated Relief Valve can be modeled where the Relief Valve opening is driven by a remote
vessel pressure. The pilot can be configured by initializing the parameter, Pilot and assigning the
remote vessel pressure to it. The opening of the Relief Valve will be based on the pilot pressure
instead of the stream inlet pressure.

Flash Calculations

The Relief Valve has an optional flash submodel called Flash. By default, the Flash is turned off
so that the outlet properties are not calculated. Stream properties, temperature, density, and vapor
fraction will be passed from the inlet stream to the exit stream in the case of forward flow and
exit stream to inlet stream in the case of reverse flow. These stream properties will be calculated
at the downstream pressure if the Flash is turned on,.

Relief Valve

Malfunctions

The Relief Valve supports four different malfunctions. These malfunctions can be divided into
two categories, Analog and Discrete. Analog malfunctions can take any numerical value between
the high and low limit. Discrete malfunctions have either one or two states.

Analog Malfunctions

Relief Valve Leakage

This malfunction creates a leak in the Relief Valve. It is supported for pop-acting, modulating
and rupture disk Relief Valves. It results in increase of flow through Relief Valve when the
opening is small or zero. At high opening of Relief Valve leakage does not have any effect.
Allowable values range from 0 to 100% Valve position. The amount of the leak is specified by
KJLeak parameter.

Discrete Malfunctions

Fail Open

This malfunction is supported for pop-acting, modulating and rupture disk type Relief Valves.
When triggered, the Relief Valve fully opens even when the actual pressure is lower than the set
pressure.

Fail to Open

This malfunction is supported for pop-acting, modulating and rupture disk type Relief Valves.
When triggered, the Relief Valve does not open even when the actual pressure exceeds the set
pressure.

Fail to Reseat

This malfunction is supported for pop-acting and modulating Relief Valves. When triggered a
pop-acting Relief Valve will remain fully open even when the actual pressure falls below the
blowdown pressure. A modulating Relief Valve will not move in the close direction despite the
inlet pressure is lower than set pressure.

Relief Valve

Examples

Simple Relief Valve Configuration

A Relief Valve (PSV1) is mounted on a Drum (V1) with discharge to the atmosphere at 101.325
kPa. The vessel contains natural gas, which is a mixture of methane (70%), ethane (20%) and
propane (10%). The vessel has an operating pressure of 7500 kPa. The gas feed rate for the
vessel is 7200 kg/hr, which is coming from a high-pressure Source (NATURAL_GAS) at 9000
kPa and 360 K. The Relief Valve has an orifice area of 11.6 inP
2
P (0.0075 mP
2
P)and a discharge
coefficient of 0.975. The Relief Valve set pressure is 8000 kPa and reseats at 98% of the set
pressure.

The gas Relief Valves are pop-acting and open up completely when the pressure in the vessel is
above the SetPressure. Since the Relief Valve is pop-acting there is no possibility of reverse
flow, so the reverse flow factor (KJr) is set to 0. The Relief Valve is mounted on the vapor port
of the Drum. The Valves XV1 and XV2 are sized for 1500 kPa for 100% opening at design flow
and have a Cv of 7.8 and 8.5 respectively. To trigger the Relief Valve to open, close Valve XV2
so that pressure in V1 increases above the set pressure of PSV1.

SOURCE: NATURALGAS
OProdStream[0] S1 Source product stream to Valve XV1
Mb[METHANE] 0.7 fraction Source boundary composition specification
Mb[ETHANE] 0.2 fraction Source boundary composition specification
Mb[PROPANE] 0.1 fraction Source boundary composition specification
Spec PT Source boundary specification
Pb 9000 kPa Source boundary pressure
Tb 360 K Source boundary temperature

Relief Valve

VALVE: XV1
OFeedStream S1 Valve feed stream from Source
NATURALGAS
OProdStream S2 Valve product stream to Drum V1
Cv 7.8 Cv Valve Cv

DRUM: V1
OFeedStream S2 Drum feed stream from Valve XV1
OProdStream[0] S3 Drum product stream to Relief Valve PSV1
OProdStream[1] S5 Drum product stream to Valve XV2
Orientation VERTICAL Drum orientation
Dia 4 m Vertical vessel diameter
Len 8 m Vertical vessel height
NumHeads 2 Number of heads for vertical vessel.
HeadRatio 1 Head height to (Dia/2) ratio
Li[0] 9 m Feed Valve XV1 port location
Lx[0] 9 m Product Valve XV2 port location
Lx[1] 10 m Relief Valve PSV1 port location

RELIEFVALVE: PSV1
OFeedStream S3 Relief Valve feed stream from Drum V1
OProdStream S4 Relief Valve product stream to Sink
AMBIENT
SetPressure 8000 kPa Set pressure for Relief Valve
Area 0.075 mP
2
P Relief Valve orifice area
ReliefValveType POPACTING Relief Valve type
Blowdown 0.98 fraction Fraction of set pressure at which the Valve
will reseat for POPACTING Relief Valves
Kd 0.975 fraction Relief Valve discharge coefficient
TimeOp 1 sec Time to open Relief Valve
KJr 0 fraction Reverse flow factor
FlashFlag 1 Exit flash calculation will be performed
when this flag is set to 1

SINK: AMBIENT
OFeedStream[0] S4 Sink feed stream from Relief Valve PSV1
PB 101.325 kPa Sink boundary pressure

VALVE: XV2
OFeedStream S5 Valve feed stream from Drum V1
OProdStream S6 Valve product stream to Sink SINK
Cv 8.5 Cv Valve Cv

Relief Valve

SINK: SINK
PB 6000 kPa Sink boundary pressure

Pilot Relief Valve Configuration

The example below shows configuration for a pilot Relief Valve. The Relief Valve is mounted
on the vessel V2. The pressure in the vessel V1 drives the opening of the Relief Valve through
the parameter Pilot. The pressure parameter of vessel V1 is connected to the Pilot parameter of
the Relief Valve through parameter referencing. The Relief Valve opens as the pressure in vessel
V1 goes above the set pressure of the Relief Valve set pressure.

RELIEFVALVE: PSV1
Pilot V1.P kPa The remote vessel pressure parameter is
assigned to the Relief Valve through
parameter referencing. The Relief
Valve opening will be based on this
pressure.

Relief Valve


Basic Tab

Relief Valve Capacity

The Set pressure corresponds to the SetPressure parameter. The default value for this parameter
is set high, so that a Relief Valve just placed on a flowsheet will not open. Set the Set pressure to
the mechanical design pressure of the vessel that is available on the Relief Valve data sheet.

The orifice area corresponds to the Area parameter. This parameter must be specified. Relief
Valve area is usually available on the Relief Valve datasheet. The default area is 6.38 inP
2
P, which
corresponds to a P orifice Relief Valve.

This discharge coefficient corresponds to the parameter KD. The default value is usually
acceptable.
Relief Valve

The reverse flow factor corresponds to the KJr parameter. If no reverse flow is desired, then set
this value to 0, otherwise leave it at the default value of 1.

The specific heat ratio corresponds to the CpCv parameter. The user must specify CpCv for
accurate calculation of critical flow. The default value is good for gases such as air or nitrogen.
This parameter is not required for Relief Valves in liquid service.

Relief Valve Dynamics

Relief Valve type corresponds to the ReliefValveType parameter. Pop-Acting is usually used for
vapor service while Modulating is usually used for liquid service. Rupture Disk refers to a
bursting disk that can only be used one time.

Pop-Acting Relief Valves require blowdown, corresponding to the Blowdown parameter, to
specify the fraction of the SetPressure at which the Relief Valve will reseat.

Modulating Relief Valves require overpressure, corresponding to the OverPressure parameter.
This is the fraction above the SetPressure at which the modulating Relief Valve will be fully
open.

All Relief Valve types require an opening time, corresponding to the parameter TimeOp. The
default value of 1 sec is usually adequate.

Other Parameters

Calculate outlet properties corresponds to the FlashFlag parameter. Check this box to calculate
outlet stream parameters such as temperature, density, and vapor fraction rather than pass them
down from the upstream conditions. This selection will not have any impact on the overall
energy balance, but may impact the pressure profile since the density to the downstream flow
device, if there is one, will be calculated.

Relief Valve

External Inputs Tab


Remote Pilot Valve

If the Relief Valve is configured with a pilot valve then set a parameter reference to the Pilot
connection. Pilot connection corresponds to the Pilot parameter.

Rupture Disk

Rupture disk repair command corresponds to the Repair parameter. Since this is a dynamic
parameter, the rupture disk cannot be repaired through the Data Entry Window. However, a
parameter reference can be entered here that causes the rupture disk to repair.
Relief Valve

Thermo Tab

Thermo Options

parameter, Local thermo options to the LocalThermoOption parameter, and Local flash options

Phase Options

performed by SIM4ME Thermo. No flash will be performed unless Calculate Outlet
properties: is checked on the Basic tab.

Relief Valve

Notes Tab

Relief Valve

Parameter Table
Basic
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Area
Relief Valve orifice area
The orifice area of the Relief Valve is available
from the specification sheets and relief valve
vendors. It is a function of nominal flow to the
vessel, the desired rate of depressuring, the
pressure drop, and fluid characteristics and as
used in API RP 520. API RP 520 is standard
technical reference manual used for Relief Valve
sizing.
KD0.00414 Yes mP
2
P
Blowdown
Fraction reset pressure for pop-acting Relief Valve
Fraction of set pressure at which the Relief Valve
will reseat. The difference between the set
pressure and the reset value establishes the
hysterisis for the Relief Valve. This parameter is
only valid for POPACTING Relief Valves.
KD0.93 Yes fraction
CpCv
Cp to Cv ratio
The ratio of specific heats used for critical flow
calculations.
KD1.4 Yes
FlashFlag
Flash flag
Flag to perform a flash on the outlet stream to
calculate properties for the downstream
equipment. If false, outlet density, temperature,
and vapor fraction will be assumed the same as
the upstream conditions. Setting to true increases
computation time.
KB0 No
Kd
Discharge coefficient
Relief Valve discharge coefficient as described in
API RP 520.
KD0.975 Yes fraction
KJr
Reverse flow conductance factor
like a check valve.
KD1 Yes fraction
KJLeak
Leak factor.
This factor represents the fraction of the leak flow.
KD0 Yes fraction
OverPressure
Over pressure for modulating Relief Valves
Allowable overpressure for modulating Relief
Valves per API RP 520 guidelines. Typical value
is 10 percent for single Relief Valve or 16 percent
when multiple Relief Valves are present.
KD0.1 Yes fraction
ReliefValve
Type
Current relief value models are
0 = MODULATING
1 = POP_ACTING
2 = RUPTURE_DISK.
KI
MODULATING
No
Relief Valve

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
SetPressure
The Set pressure is valid for POPACTING,
MODULATING, and RUPTUREDISK Relief
Valves.
KD1E6 Yes kPa
TimeOp
Opening time
Time to open the Relief Valve. Typical value is 1
sec for quick opening Relief Valve.
KD1 Yes sec

External Inputs
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Pilot
Remote pressure connection for the pilot Relief Valve
Connect this parameter to a pressure parameter of another
equipment item to simulate a pilot-operated Relief Valve.
DD Yes kPa
Repair
Rupture disk status
Set this value to one to repair a rupture disk. This value
should be reset to 0 after the Relief Valve is repaired.
DI 1 Yes

Calculated Values
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
J
Flow conductance
Forward flow conductance. It is calculated from the
sub-critical flow equation. It is used in the reverse
flow calculations.
DD1.0 Yes
(kg/sec)/
sqrt(kPa-
kg/mP
3
P)
PosDemand
Position demand
Relief Valve disk position demand. It is the target
position as calculated based on overpressure for
MODULATING Relief Valves. It is always 1 in case
of POP_ACTING Relief Valve when the vessel
pressure, which acts on the Relief Valve, is more
than its set pressure. The Relief Valves disk
position goes to this value based on the opening
time (TimeOp). In case of RUPTURE DISK the
Relief Valve disk position and the position demand
is the same.
SD 0 No fraction

Derivatives
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Size

Internal
UOM
dPos
Position derivative
Derivative of Relief Valve position. A positive value
indicates that the Relief Valve is opening. The derivative
has no significance for rupture disks. It is always 0 in
this case.
DD0 No fraction/sec
Relief Valve

States
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Pos
Relief Valve position
Relief Valve disk position. A value of 0 indicates the Relief
Valve is fully closed and a value of 1 indicates it is fully
opened. In case of rupture disk, it is either fully open or fully
closed.
SD 0 No fraction

Topology
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
OFeedStream
Feed Stream
Relief Valve feed stream. Identifies the feed, or inlet,
OFeedStream and OPRODTREAM cannot be the
same. Only one feed stream can be connected to the
flow devices.
STREAM
OProdStream
Product Stream
Relief Valve product stream. Identifies the product, or
outlet, stream and its associated fluid properties. This
the flowsheet. However, this entry can be the same as
a feed stream identifier to another unit. OFeedStream
and OProdStream cannot be the same. Only one
product stream can be connected from the flow
devices.
STREAM

Legend:
KB - Static Boolean
KI - Static Integer
KF - Static Float
KD - Static Double

SB - State Boolean
SI - State Integer
SF - State Float
SD - State Double

DF - Dynamic Float
DD - Dynamic Double

not a vector.
UOM Internal units of measure

reaction submodel.
Relief Valve

FAQ

Q. When should I make Relief Valve Pop Acting and when should I make it Modulating?

A. Typical industry practice is to use pop-acting Relief Valves for gas or vapor service and
modulating Relief Valves for liquid service. However, you can use a modulating Relief Valve in
vapor service for relief studies when you want to hold a constant pressure during relief to
determine what the peak relief flow is. Use of a pop-acting Relief Valve in this application will
just report the capacity of the Relief Valve as the relief rate, and the Relief Valve will cycle on
and off.

Q. How do I repair a rupture disk?

A. Repair is a dynamic parameter. The easiest way is to put a button next to the Relief Valve
that models the rupture disk. Connect the Relief Valves repair parameter to the button so that it
has the value of 1 when pressed.
Separator

Separator

Introduction
Separator is a pressure node object that can be used for two or three-phase separation. Separator
differs from Drum in a way that it has a separate holdup for each phase. Separator gives more
accurate temperature and composition dynamics than Drum. Cases where a Separator should be
used include a tank with blanket gas or a column overhead accumulator with a hot vapor bypass
for pressure control.

A typical Separator models two or three separate holdups corresponding to the Vapor, Liquid and
Liquid2 phases that are in partial equilibrium with each other. This option may include boot.
Separator with weir can configure up to five separate holdups corresponding to a Vapor holdup
and Liquid and Liquid2 holdups on each side of the weir. Both liquid phases are possible on each
side to model operational mishaps.

The user has the option to specify the extent to which equilibrium between phases is required
through recycle parameters for corresponding phases. The properties of outlet streams and
reverse flow inlet streams are set based on the holdups from which they originate.

The Separator has eight different types of orientations to represent various vessel geometries:

Horizontal
Vertical
Horizontal with boot
Vertical with boot
Spherical
Horizontal with weir
Vertical with weir
User-Defined.

Separator has the flexibility to model a user-defined shape. The user can specify array of cross-
sectional area as function of vessel height.

Separator accounts for heat transfer from fluid to the metal and metal to surroundings, and
permits heat transfer from external sources directly to the metal and/or holdups through heat
streams. Separator can model internal heat transfer tubes using a Utility Exchanger attached with
a heat stream.

Separator can also be used to model the base of a Column. Use a Vertical Separator with Weir to
model a column base with a partition.

Separator

Fundamentals
For the sake of simplicity, the discussion is limited to a Separator without a weir.
However, most of the statements are easily extended to case where a weir is present. Situations
that require non-obvious extensions are qualified as needed.

Holdup in Separator Model

The Separator offers up to three control volumes called holdups, which are intended to represent
the state of material in each of the phases, Vapor, Liquid and Liquid2. The mole and energy
inventory of each holdup are tracked using separate variables and differential equations. It is
assumed that the material in each holdup exists at the phase designation given by the holdup
name. That is, Vapor holdup contents are treated as if it were a pure vapor phase. The same
principle applies for the Liquid and Liquid2 holdups.

The partial equilibrium between holdups is accomplished by modeling heat and mass transfer
between holdups using an internal recycle flash. The feed to the recycle flash comprises of
material taken from each holdup. The amount of material is determined by the recycle rates
KVRecycle, KLRecycle, and KL2Recycle. Then a flash is solved to determine the vessel
pressure and the product distribution from the flash. Material coming out of this recycle flash is
sent back directly to the respective holdup.

If a weir is present, there are two separate recycle flashes, one for each side of the weir. Please
refer to the figures below. The same set of recycle rates is used for both flashes.

The Separator is capable of handling the full range of recycle rate values (KVRecycle, etc.). The
minimum value of 0 represents no mixing of holdup contents with other holdups. The maximum
possible value is given by the reciprocal of the integration time step (1/0.25 = 4, when running 4
time steps per second). A special limiting case occurs when all recycle rates are set to the
maximum value of 1/(time step). This case effectively creates the same behavior as a Drum.

The user should treat the recycle rate parameters KVRecycle, KLRecycle, and KL2Recycle as
tuning parameters. The user is advised to use the default values to start with. The user may tune
these parameters to achieve the desired separation. Default values of 4.0, 0.01 and 0.01 are used
for the Vapor, Liquid and Liquid2 holdups, respectively. The Unit of Measure (UOM) for these
values is 1/sec. A rate of 4.0 corresponds to total recycle when the simulation time step is 0.25
sec.

The figures below show the interaction between holdups, recycle flash, feed and product streams,
and feed stream flashes.

Separator

Simplified view of Separator without weir

Simplified view of Separator with weir

Separator

Holdup Calculations

Compressible Holdup

The Separator supports the Compressible Explicit calculations to address the case where the
amount of material in the vapor holdup is significant enough. In contrast, if the amount of vapor
is small or nonexistent, the Separator is automatically switched to Incompressible Explicit
calculations to handle the liquid filled condition. During Compressible Explicit calculations,
the Separator uses the recycle flash to set the vessel pressure.

Moles flowing from holdups into recycle flash:

=
=
=
2
2 2
L
L
V
M recycle KL tr Fl
M KLrecycle Fltr
M KVrecycle Fvtr

Moles flowing from recycle flash into holdups:

2 ) 2 ( 2
) 2 (
) 2 (
Flash.LF tr Fl Fltr Fvtr Rfl
Flash.LF tr Fl Fltr Fvtr Rfl
Flash.VF tr Fl Fltr Fvtr Rfv
+ + =
+ + =
+ + =

where:
Fl2tr - Mole flow from liquid2 holdup into recycle flash (kg-mol/sec)
Fltr - Mole flow from liquid holdup into recycle flash (kg-mol/sec)
Fvtr - Mole flow from Vapor holdup into Recycle flash (kg-mol/sec)
KL2recycle - Liquid2 holdup recycle ratio
KLrecycle - Liquid holdup recycle ratio
KVrecycle - Vapor holdup recycle ratio
Rfl - Mole flow from recycle flash into Liquid holdup (kg-mol/sec)
Rfv - Mole flow from recycle flash into Vapor holdup (kg-mol/sec)
Rfl2 - Mole flow from recycle flash into Liquid2 holdup (kg-mol/sec)

The component material balance in each holdup:

V
oduct
Streams
r r V f
VaporFeed
Streams
V r f
Feed
Streams
V r f V
Z Fvtr Z F Z F
Y Flash Rfv Z F Z F
Z F Y FeedFlash VF FeedFlash F M
dt
d
f

+ +
=
Pr
) (
. ) (
) . . (

Separator

L
oduct
Streams
r r L f
LiquidFeed
Streams
L r f f
Feed
Streams
L r f L
Z Fltr Z F Z F
X Flash Rfl Z F Z F
Z F X FeedFlash LF FeedFlash F M
dt
d

+ +
=
Pr
) (
. ) (
) . . (

2
Pr
2
2
2
2 2
2 ) (
2 . 2 ) (
) 2 . 2 . (
L
oduct
Streams
r r L f
Feed Liquid
Streams
L r f f
Feed
Streams
L r f L
Z tr Fl Z F Z F
X Flash Rfl Z F Z F
Z F X FeedFlash LF FeedFlash F M
dt
d
+
+ +
=

where:
FB
f
B - Stream forward flow (kg-mol/sec)B
FB
r
B - Stream reverse flow (kg-mol/sec)
LF2 - Flash liquid2 mole fraction (fraction)
LF - Flash liquid mole fraction (fraction)
VF - Flash vapor mole fraction (fraction)
MB
L
B - Liquid holdup mole component vector (kg-mol)
MB
L2
B - Liquid2 holdup mole component vector (kg-mol)
MB
V
B - Vapor holdup mole component vector (kg-mol)
X - Flash liquid mole fraction component vector (fraction)
X2 - Flash liquid2 mole fraction component vector (fraction)B
Y - Flash vapor mole fraction component vector (fraction)
ZB
f
B - Stream forward flow mole fraction component vector (fraction)
ZB
r
B - Stream reverse flow mole fraction component vector (fraction)
ZB
L
B - Liquid holdup mole fraction component vector (kg-mol)
ZB
L2
B - Liquid2 holdup mole fraction component vector (kg-mol)
ZB
V
B - Vapor holdup mole fraction component vector (kg-mol)

For configuration with weir, similar material balance equations apply for the Liquid and Liquid2
holdups on the right side of the weir.

Energy balance is modeled using following equations.

Separator

Vimp FV
V
oduct
Streams
V
VaporFeed
Streams
V r f
Feed
Streams
V r f TV
Q Q
H Fvtr Hr Fr H Ff
Hv Flash Rfv H F Hf F
H F Hv FeedFlash VF FeedFlash F U
dt
d
+ +

+ +
=
Pr
) (
. ) (
) . . (

Limp FL
L
oduct
Streams
L
LiquidFeed
Streams
L
Feed
Streams
L TL
Q Q
H Fltr Hr Fr H Ff
Hl Flash Rfl H Fr Hf Ff
H Fr Hl FeedFlash LF FeedFlash Ff U
dt
d
+ +

+ +
=
Pr
) (
. ) (
) . . (

imp L FL
L
oduct
Streams
L
Feed Liquid
Streams
L
Feed
Streams
L TL
Q Q
H tr Fl Hr Fr H Ff
Hl Flash Rfl H Fr Hf Ff
H Fr Hl FeedFlash LF FeedFlash Ff U
dt
d
2 2
2
Pr
2
2
2
2 2
2 ) (
2 . 2 ) (
) 2 . 2 . (
+ +

+ +
=

where:
Hl - Flash liquid enthalpy (kJ)
Hl2 - Flash liquid2 enthalpy (kJ)
Hv - Flash vapor enthalpy (kJ)
HB
L
B - Liquid holdup enthalpy (kJ)
HB
L2
B - Liquid2 holdup enthalpy (kJ)
HB
V
B - Vapor holdup enthalpy (kJ)
HB
f
B - Stream forward flow enthalpy (kJ/kg-mol)
HB
r
B - Stream reverse flow enthalpy (kJ/kg-mol)
QB
FL
B - Heat loss from fluid to metal from liquid holdup (kJ /sec)
QB
FL2
B - Heat loss from fluid to metal from liquid2 holdup (kJ /sec)
QB
FV
B - Heat loss from fluid to metal from vapor holdup (kJ /sec)
QB
L2imp
B - Imposed heat duty to liquid2 holdup (kJ/sec)
QB
Limp
B - Imposed heat duty to liquid holdup (kJ/sec)
QB
Vimp
B - Imposed heat duty to vapor holdup (kJ/sec)
UB
TL
B - Total internal energy of liquid holdup (kJ)
UB
TL2
B - Total internal energy of liquid2 holdup (kJ)
UB
TV
B - Total internal energy of vapor holdup (kJ)
Separator

For configuration with weir, similar energy balance equations apply for the Liquid and Liquid2
holdups on the right side of the weir.

Incompressible Holdup

The Separator model employs the Incompressible Explicit Solution/ Integration in the absence of
a vapor phase as described in the Base Equipment Fundamentals section.

Liquid Flow Over the Weir

The flow of liquid over a weir is modeled based on the Francis equation as mentioned below:

2 / 3
) ( 848 . 1 HeightWeir L R DistWeir F =
where:
F - Mole flow (kg-mol/sec)
R - Mole density (kg-mol/mP
3
P)
DistWeir - Weir length (m)
L - Level on left side of weir (m)
HeightWeir - Weir height (m)

This equation predicts the flow rate over the weir as a function of crest height, weir length and
liquid density. It is important that users realize that a nonzero crest height results when liquid
overflows over the weir.

Flooded Weir

The weir is flooded when liquid fills both sides of the weir. In this case the level on both sides of
the weir are nearly identical. Moreover, the Francis equation is also used to model flow from
both directions of the weir simultaneously to promote mixing of the two sides.

Phase Separation

The Separator makes use of the following to determine the type of separation that it performs.

InternalPhases can be Vapor, Liquid, VLE, VLLE, Decant or Free Water. To perform a
separation calculation Vapor and Liquid are not valid choices

ExternalPhases can be Mixed, Two, or Three. To perform a separation calculations,
Mixed is not a valid choice.

The user should be prudent to pair the Internal and ExternalPhases in a way that is logical.
Consider the following cases given below.

Pairing VLE with Two or (VLLE, Decant or Free Water with Three) is fine because the
number of InternalPhases and external holdups maps one-to-one

However, pairing (VLLE, Decant, or Free Water) with Two results in a three phase flash
calculation and the subsequent merging of results for the flash Liquid and Liquid2 phases into
a single result for the external Liquid holdup. This approach might be considered for a vessel
Separator

with a single liquid outlet line and that may not have sufficient residence time for liquid-
liquid separation

Similarly, pairing VLE with Three results in a two-phase calculations, mapping of the
flash Liquid phase into external Liquid holdup and mapping of flash InternalPhases into the
external Liquid2 holdup.


Holdup initialization is available for all of the holdups in a Separator model. The Source flash
conditions are copied to the recycle flash. This recycle flash is then solved. To the extent
possible, values for levels L and L2 are maintained. However, phase conditions may be such that
L and/or L2 may have to be overwritten. For example, an all vapor mixture can not have nonzero
values for L and L2. Similarly, under liquid-filled conditions, L must be equal to the vessel
height. Next, the resulting phase splits are distributed to their corresponding holdups. Finally,
the holdup flashes are solved so they are in a consistent thermodynamic state.

If there is a weir, in the absence of Liquid2 level values, the initialization tries to put all Liquid2
on the left side of the weir. Any excess Liquid2 is placed on the right side.

Please refer to Base Equipment Fundamentals section on Holdup Initialization.

Orientations

The Separator has eight different types of orientations to represent various vessel geometries:

Horizontal
Vertical
Horizontal with boot
Vertical with boot
Spherical
Horizontal with weir
Vertical with weir
User-Defined

The length and diameter are set for all kinds of orientation except for Spherical and User-Defined
geometry. For User-Defined geometry, you must specify a minimum of two paired sets of values
for area and height, which would represent a single conic section. Irregular geometries can also
be simulated using User-Defined geometry. For example, to simulate the vessel in the figure
below, Height and Area parameters should be defined as:

HEIGHT[0] 0
HEIGHT[1] 6
HEIGHT[2] 8
HEIGHT[3] 13
AREA[0] 3.14
AREA[1] 3.14
AREA[2] 19.68
AREA[3] 19.68

Separator

The parameter NUMHEAD is used for specifying the ellipsoidal head portion of the cylindrical
vessels at the top or at bottom sections. This parameter also represents the ellipsoidal heads at the
ends of Horizontal vessels. In a vertical vessel, specifying only one head configures only the
bottom head portion.

Specifying the number of heads and the head ratio can simulate the head portions for cylindrical
vessels. Use this equation to calculate the head ratio.

2 / Dia
HeadHeight
HeadRatio =

where:
Dia - Vessel diameter (m)
HeadHeight - Height of the head (m)

Separator Level

There are two parameters L and L2 for level indication in Separator, corresponding to Liquid
(hydrocarbon) and Liquid2 (aqueous) holdups. The level calculation depends on the phase
separation. For two-phase separation, L2 will always be 0 and the liquid level is indicated by the
parameter L. For three-phase separation, the Liquid and the Liquid2 holdup levels are indicated
by the parameters L and L2, respectively.

The reference for level is always the bottom of the Separator. So, if the Separator has a boot, the
level at the bottom of the boot is the reference zero level. The Liquid and Liquid2 levels are
calculated based on this reference level. Therefore L is always greater than or equal to L2 for all
kind of orientations.

For weir configurations, there are up to four liquid levels to track. Parameters L and L2 track
levels on the left side of the weir and parameters LR and L2R track levels on the right side. Now
suppose that a vertical Separator with ellipsoidal heads is requested. Strictly speaking, the levels
on one side of the weir (the side closest to the cylinders wall) will not represent the distance from
Separator

the bottom of the vessel to the liquid surface. However, level and volume calculations in the
ellipsoidal dish are slightly modified so that all levels can be interpreted as distance from bottom
of vessel to liquid surface.

The maximum liquid level in the Separator varies with the type of orientation for the same
diameter and length. The following example shows the maximum liquid level for various
orientations.

Orientation Diameter Length
Boot
Diameter
Boot Length
Maximum
liquid height
Horizontal 4 8 - - 4
Vertical 4 8 - - 8
Horizontal
with boot
4 8 2 4 8
Vertical with
boot
4 8 2 4 12
Spherical 4 - - - 4

Feed and Product Streams

Feed Streams

Feed streams to the Separator fall within two categories:

Mixed phase feeds These are streams that require their own flash objects to effect a
phase split. The resulting phase flows are routed directly into the corresponding holdups.
These streams can be positioned anywhere in the vessel. User must specify the port location

Single phase feeds These are streams that are assumed to contain single phase material.
Three types of single phase streams are supported: FeedVapor, FeedLiquid, and Feed
Liquid2. No flash objects are required for these streams; instead, their entire contents are
routed directly into the corresponding holdups. Stream port location is restricted to the top of
the vessel for FeedVapor, to the top of the boot for FeedLiquid and to the bottom of the boot
for FeedLiquid2. If the vessel has no boot, the FeedLiquid and FeedLiquid2 streams are both
positioned at the bottom of the vessel.

Users can specify the location of each stream relative to the weir (left or right side) using the
Feeds tabbed dialog. Stream of FeedVapor types do not require a side designation.

Example of single phase stream connected to the Separator:

OFeedVapor[0] S1 Stream connecting from a flow
device to vapor port of Separator
OFeedLiquid[0] S2 Stream connecting from a flow
device to liquid port of Separator
OFeedLiquid2[0] S3 Stream connecting from a flow
device to liquid2 port of Separator

Example of multi-phase stream connected to the Separator:
Separator

OFeedStream S1 Stream connecting from a flow
device to multi-phase port of
Separator

Product Streams

Product streams from the Separator fall within two categories:

ProdStream group These streams can be positioned anywhere in the vessel. User must
specify the port location

Single phase products The main purpose of these streams is to provide predefined port
locations. However, they also serve as a mnemonic of the type of phase condition expected
under most operating condition. Three types of single-phase streams are supported:
ProdVapor, ProdLiquid, and ProdLiquid2. Stream port location is restricted to the top of the
vessel for ProdVapor, to the top of the boot for ProdLiquid and to the bottom of the boot for
ProdLiquid2. If the vessel has no boot the ProdLiquid and ProdLiquid2 streams are both
positioned at the bottom of the vessel.

Users can specify the location of each stream relative to the weir (left or right side) using the
Products tabbed dialog. Stream of ProdVapor types do not require a side designation.



Liquid Filled Operation

As the simulation progresses , there is a possibility for the Separator to be filled with liquid
completely. In such situations there should be some way to switch between the solution
algorithms to ensure proper pressure dynamics of the Separator.

The switching between Compressible and Incompressible type of solutions is handled internally
based on the parameter KLF. It is used to determine if the vessel is liquid filled. If vessel's liquid
volume fraction is greater than specified value the solution algorithm is changed to
Incompressible mode.

Heat Transfer

The Separator has natural convection, heat loss to ambient and metal wall dynamics as described
in the Base Equipment Fundamentals section. The heat transfer modeling is extended to include
separate duties to every Separator holdup. Please refer to the parameter table for more
information.

Heat Streams

streams. These heat streams should originate from any source that performs heat transfer
calculations and sets Q in the heat stream, such as Utility Exchanger. The fluid heat stream
Separator

parameter may be used to configure Utility Exchanger representing coiled heating tubes inside
the vessel. The metal heat stream can be used to simulate jacketed vessels. Any number of heat
streams can be connected and applied to any of the Separators holdups.

Separator

Example

The following example illustrates the configuration of a three-phase flash Separator with level
and pressure PID controllers.

The Separator is fed with three-phase hydrocarbon feed at the rate of 40.7 kg/sec. The Separator
pressure is maintained at 450 kPa through the pressure PID controller (PC1). The source
(SOURCE) for feed is at 850 kPa and 318.5 K. It is desired to separate the vapor, hydrocarbon
and aqueous feed before further processing. Two level PID controllers (LC1, LC2) maintain the
liquid level of hydrocarbon and aqueous phases at 4.5 and 1.5 m, respectively.

The Separator is assumed to be located at ground level and thereby a default value of 0 can be
used for elevation. Since there is a three-phase separation involved, a horizontal vessel with boot
is an appropriate configuration. The length and diameter of the Separator are 6 and 3 m
respectively. The boot length and diameter are 3 and 1.5 m, respectively. These values can be
obtained from equipment data sheets. The liquid feed stream port is located close to the top;
therefore the port height is set at 6 m. The vapor stream is connected to the vapor port and will
by default take a port height of maximum Separator height (6 m). The liquid product stream is
connected to the liquid product port, so it will take a port height corresponding to boot length
(3 m). The liquid2 product stream is connected to the liquid2 product port, so it will take a port
height corresponding to zero reference level (0 m). The port diameter of the feed and product
port can be set to the same value as the pipe diameter connecting the Separator. In this case it is
assumed that the feed and the product pipe diameter are 0.1 m. The feed valve (XV1) has a CB
v
B of
200, the product liquid (XV3) and vapor valves (XV4) have CB
v
B of 200 and the product liquid2
valve (XV2) has a CB
v
Bof 50.

At steady state the vapor flow of 4 kg/sec, hydrocarbon flow of 31.3 kg/sec and aqueous flow of
5.4 kg/sec is observed.

Separator

SOURCE: SOURCE
OProdStream[0] S1
Source product stream connecting
to the Valve XV1
Mb[METHANE] 0.024096 fraction Boundary composition
Mb[ETHANE] 0.072289 fraction Boundary composition
Mb[PROPANE] 0.048193 fraction Boundary composition
Mb[IBUTANE] 0.048193 fraction Boundary composition
Mb[BUTANE] 0.060241 fraction Boundary composition
Mb[IPENTANE] 0.024096 fraction Boundary composition
Mb[PENTANE] 0.120482 fraction Boundary composition
Mb[HEXANE] 0.240964 fraction Boundary composition
Mb[H20] 0.361446 fraction Boundary composition

VALVE: XV1
OFeedStream S1
Valve feed stream connecting from
Source SOURCE
OProdStream S2
Valve product stream connecting to
Separator V1
Cv 200 Cv Valve Cv

SEPARATOR: V1
OFeedStream[0] S2
Separator feed stream
connecting from Valve XV1
OProdLiquid[0] S5
Separator liquid stream
connected to Valve XV3
OProdLiquid1[0] S3
Separator liquid stream
OProdVapor[1] S7
Separator vapor stream
Orientation HORIZONTAL_BOOT Separator orientation
Dia 3 m Separator diameter
Len 6 m Separator height
DiaBoot 1.5 m Separator boot diameter
LenBoot 3 m Separator boot height
OINITSOURCE SOURCE
Instance of Source from which
Separator is initialized
REINITFLAG 1 Re-initialization flag
Li[0] 6 m Feed port location

Separator

VALVE: XV3
OFeedStream S5
liquid port of Separator V1
OProdStream S6
Sink SNK2
Cv 200 Cv Valve Cv
Op LC1.OUT fraction
to the valve open command.

PID: LC1
PV V1.L m
Separator liquid level attached to the
PV of PID controller
KP 0.1 PID controller action
KI 0.025 1/sec PID controller integral gain

SINK: SNK2
OFeedStream[0] S6
Valve XV3
Pb 150 KPa Boundary pressure

VALVE: XV2
OFeedStream S3
liquid2 port of Separator V1
OProdStream S4
Sink SNK1
Cv 50 Cv Valve Cv
Op LC2.OUT fraction

PID: LC2
PV V1.L2 kPa
Separator liquid2 level attached to
the PV of Level PID controller
Action PV-SP PID controller action

SINK: SNK1
OFeedStream[0] S4
Valve XV2

Separator

VALVE: XV4
OFeedStream S7
vapor port of Separator V1
OProdStream S8
Sink SNK3
Cv 200 Cv Valve Cv
Op PC1.OUT fraction

PID: PC1
PV F1.P kPa
Separator pressure attached to the
PV of Pressure PID controller
SP 450 kPa
controller
Action PV-SP PID controller action

SINK: SNK3
OFeedStream[0] S8
Valve XV4

Separator



Orientation corresponds to the Orientation parameter. Horizontal, Vertical and Spherical
orientations are generally used for two-phase separation. Horizontal with boot, Vertical with
boot, Horizontal with weir, and Vertical with weir orientations are generally used when there is
three-phase separation. User-Defined orientation is applied to set user defined geometry based on
the height and cross sectional area.

Separator

Basic Tab

The items displayed in this dialog depend on the configuration selected in the Configuration
Dialog.

Elevation

Elevation corresponds to the Elevation parameter. The elevation of the vessel is specified with
respect to the reference ground level. This value is used in the static head correction of the feed
and product stream pressures. When no elevation is required, default value of 0 should be left in
place.

Geometry

Diameter corresponds to the Dia parameter. The diameter is set for all kinds of orientations
except User Defined orientation. For Horizontal, Horizontal Boot orientations it corresponds to
the height of the vessel and for Vertical, Vertical Boot, Spherical orientations it corresponds to
Separator

the diameter. This data can be obtained from data sheets. It should be set for accurate liquid
level calculations.

Length corresponds to the Len parameter of the Vessel. The length is set for all kinds of
orientations except Spherical. Len refers to the cylindrical section of the vessel (tangent to
tangent). For Horizontal, Horizontal Boot, and Horizontal with Weir orientations, it corresponds
to the length of the vessel and for Vertical, Vertical Boot, and Vertical Weir orientations it
corresponds to the height.

Boot diameter corresponds to the DiaBoot parameter. The boot diameter is set for Vertical Boot
and Horizontal Boot orientations. The definition of the boot diameter is the same irrespective of
the kind of orientation. This data can be obtained from data sheets. It should be set for accurate

Boot length corresponds to the LenBoot parameter. The boot length is set for Vertical Boot and
Horizontal Boot orientations. The definition of the boot length is the same irrespective of the
kind of orientation. This data can be obtained from data sheets. It should be set for accurate

Thickness corresponds to the Thk parameter. The Separator metal wall thickness is used to
determine the metal mass, which is used in Separator metal temperature calculation. Default
value can be used for most of the cases.

Number of heads corresponds to the NumHeads parameter. A maximum of two heads can be set
for Horizontal and Vertical orientation. Setting this value to 1 simulates the bottom head for
Vertical orientation. There are no heads corresponding to the boots. The default value can be left
in place if no heads are simulated.

Head ratio corresponds to the HeadRatio parameter. It is used in the head height calculations.
Default value can be used for most of the cases.

Height corresponds to the Height parameter. It is set for User-Defined geometry only. A
minimum of two sets of values of Area and Height should be specified to set user defined
geometry for the Separator. The user can add more points by adding new rows.

Area corresponds to the Area parameter. It is set for User-Defined geometry only. A minimum
of two sets of values of Area and Height should be specified to set user defined geometry for the
Separator. The user can add more points by adding new rows.

Separator

Heat Transfer Tab




Vapor natural convection heat transfer coefficient corresponds to UnV parameter. It is used in
heat transfer calculation from vapor holdup to the metal. The default value can be used in most
cases.

Liquid natural convection heat transfer coefficient corresponds to UnL parameter. It is used in
heat transfer calculation from liquid holdup to the metal. The default value can be used in most
cases.
Separator

Feeds Tab

Dialog. In particular, a weir adds columns to the grids to select on which side of the weir each
stream is located.

Feed Stream

calculation of static head correction of feed stream pressure. If no value is set, it takes the port
height of 0.

Default value is 0.1, which can be used for most of the cases.

Vapor Feed Stream

Vapor feed stream port diameter corresponds to the DiV parameter. The vapor port diameter is
used to determine the stream properties for reverse flow case when the vessel is close to liquid
filled with fluid interface at the port. Default value is 0.1 and it can be used for most cases.

Separator

Liquid Feed Stream

Liquid feed stream port diameter corresponds to the DiL parameter. The liquid port diameter is
used to determine the stream properties for reverse flow case when the vessel has fluid interface
at the port. Default value is 0.1 and it can be used for most of the cases.

Liquid2 Feed Stream

Liquid2 feed stream port diameter corresponds to the DiL2 parameter. The liquid2 port diameter
is used to determine the stream properties for reverse flow case when the vessel is close to empty
with fluid interface at the port. Default value is 0.1 and it can be used for most of the cases.

Separator

Products Tab

Dialog. In particular, a weir adds columns to the grids to select on which side of the weir each
stream is located.

Product Stream

Product stream port height corresponds to the Lx parameter. The port height is used in the
calculation of the static head correction of product stream pressure. If no value is set, it takes the
port height of 0.

to determine the stream properties for forward flow case when there is a fluid interface at the port.
Default value is 0.1.

Inlet Vapor Product Stream

Product vapor stream port diameter corresponds to the DxV parameter. The vapor port diameter
is used to determine the stream properties for forward flow case when the vessel is close to liquid
filled with fluid interface at the port. Default value is 0.1.
Separator

Inlet Liquid Product Stream

Product liquid stream port diameter corresponds to the DxL parameter. The liquid port diameter
is used to determine the stream properties for forward flow case when the vessel has fluid
interface at the port. Default value is 0.1.

Product Liquid2 Stream

Product liquid2 stream port diameter corresponds to the DxL2 parameter. The liquid2 port
diameter is used to determine the stream properties for forward flow case when the liquid2
aqueous phase level is close to zero, with fluid interface at the port. Default value is 0.1.

Separator

Internals Tab

Dialog. In particular, a weir adds items for the right side of the weir.

Internal Utility Exchanger Coils

Level at coil top corresponds to LCt parameter. It is used to set the height to the top of the
internal coil from Separator liquid level reference point. It should be set when a Utility
Exchanger is connected through heat streams for calculating the area fraction of immersion of the
coil in the liquid.

Level at coil bottom corresponds to LCb parameter. It is used to set the height to the bottom of
the internal coil from Separator liquid level reference point. When a Utility Exchanger is
connected through heat streams, the area fraction of immersion of the coil is calculated based on
LCt and LCb values.

Volume of tubes corresponds to VolC parameter. It is used in setting internal volume of the
Separator. For accurate Separator level calculations set the value of this parameter when a Utility
Exchanger is connected through heat streams.
Separator


Pressure Solution Option

Solution Option corresponds to the SolutionOption parameter.
Separator


Boundary Condition

The Boundary Conditions Tab is used for setting boundary conditions in the Separator. They
should be used only for simulation tuning and debugging, and should not be left in place.

Boundary condition corresponds to BoundarySpec parameter. Pressure, Temperature, Enthalpy,
Pressure-Temperature, boundary conditions can be set. The default value of None should be used
after model tuning.

Pressure, Temperature and Enthalpy values correspond to Pb, Tb and Hb parameter,
respectively. Either one or two of these values need to be set depending on the selection of the
type of boundary condition.
Separator

Initialization Tab

attached. The temperature, pressure and composition of the holdup will be initialized from the
Source when a Load full is performed.

Source initialization object corresponds to the OInitSource parameter. The instance of the
Source object from which the Separator hold up is initialized should be specified here.

perform holdup initialization during Load Full. If no Source object is specified and Separator
ReInitFlag is checked, Separator will be initialized to equimolar composition, standard
temperature and pressure.

Separator

External Inputs Tab


Dialog. In particular, a weir adds items for the right side of the weir.

Imposed Heat to Vapor

Imposed heat to vapor corresponds to the QimpV parameter. Heat can be imposed directly to the
vapor holdup by using this parameter. The default value can be left in place when there is no
external heat input.

Imposed Heat to Liquid

Imposed heat to liquid corresponds to the QimpL parameter. Heat can be imposed directly to the
liquid holdup by using this parameter. The default value can be left in place when there is no
external heat input.

Separator

Imposed Heat to Liquid2

Imposed heat to liquid2 corresponds to the QimpL2 parameter. Heat can be imposed directly to
the liquid2 holdup by using this parameter. The default value can be left in place when there is
no external heat input.

Ambient Temperature

Separator

Thermo Tab

Thermo Options

parameter, Local thermo options to the LocalThermoOptions parameter, and Local flash option
to the LocalFlashOptions. To avoid having to set these parameters for each new equipment on

Phase Options

performed by SIM4ME Thermo. ExternalPhases corresponds to ExternalPhases parameter.

Others

Expansion isentropic efficiency corresponds to the Flash.Eff parameter. This is an isentropic
efficiency used for depressuring processes. This value can be adjusted to get the required
temperature during gas depressuring. The default value can be left in place for other cases.

Separator

Notes Tab

Separator

Parameter Table

Basic
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
E
Separator Elevation
simulation.
KD0 No m
Orientation
Separator orientation
Separator orientations are:
0 = HORIZONTAL
1 = VERTICAL
2 = HORIZONTAL_BOOT
3 = VERTICAL_BOOT
4 = SPHERICAL
5 = USER_DEFINED
6 = HORIZONTAL_WEIR
7 = VERTICAL_WEIR
KI
VERTICAL
No
Dia
Separator Diameter
Inside diameter of vessel.
KD1 Yes m
Len
Separator length
Length of cylindrical section (tangent to tangent) of
vessel.
KD1 Yes m
Thk
Separator Metal thickness
Metal thickness used to calculate metal mass.
KD 0.0127 Yes m
DiaBoot
Boot diameter
Inside diameter of the boot section of the vessel.
KD0 Yes m
LenBoot
Boot Length
Length of cylindrical section (tangent to tangent) of
boot.
KD0 Yes m
NumHeads
Number of heads
Number of vessel heads. Most vessels have two
heads. Use one head if the vessel represents part of
a larger vessel such as the base of a Column.
KI

0
HeadRatio
Ratio of head depth to cylindrical section radius.
Head depth is defined as the distance from the vessel
tangent line to the tip of the head. A head ratio of
zero results in a flat head while a head ratio of one
results in a hemispherical head.
KD0.5 Yes
Height
Height array for user defined geometry
Array of vessel height. Used with array of cross
sectional area of vessel for User-Defined geometry
option of vessel orientation.
KD No
User
Defined
m
Area
Area array for user defined geometry
Array of cross sectional area of vessel. Used with
array of vessel height for User Defined geometry
option of vessel orientation.
KD No
User
Defined
mP
2
P
DistWeir Distance from weir to the left side of vessel KD0 No m
Separator

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
For horizontal vessels, the left side is the cylindrical
tangent.
HeightWeir
Weir Height
Height of the weir
KD0 No m

Heat Transfer
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Ul
Heat transfer coefficient from metal to ambient.
KD0.01 Yes
kW/mP
2
P-
K
UnL
Liquid natural convection heat transfer coefficient
Natural convection heat transfer (film) coefficient for heat
transfer from liquid phase holdups to metal.
KD0.10 Yes
kW/mP
2
P-
K
UnV
Vapor natural convection heat transfer coefficient
Natural convection heat transfer (film) coefficient for heat
transfer from vapor phase holdup to metal.
KD0.10 Yes
kW/mP
2
P-
K

Internals
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
LCb
For Vertical and Horizontal vessels it is assumed that coils are
contained within the cylindrical part of the vessel. This height is
subject to change so that it conforms to the vessel geometry
constraints. If LCb is not initialized, default is bottom of vessel.
KD No m
LCt
Level at coil top
For Vertical and Horizontal vessels it is assumed that coils are
contained within the cylindrical part of the vessel. This height is
subject to change so that it conforms to the vessel geometry
constraints. If LCt is not initialized, default is top of vessel.
KD No m
VolC
Volume of internals
Volume of internal components
KD 0 No mP
3
P
LCbR

Level at coil bottom (right side of weir)
The height to the bottom of an internal coil or tube bundle
within the vessel. It is used to calculate the heat stream
AreaFrac if the vessel is connected to an Utility Exchanger.
KD 0 No m
LCtR
Level at coil top (right side of weir)
The height to the top of an internal coil or tube bundle within
the vessel. It is used to calculate the heat stream AreaFrac if the
vessel is connected to an Utility Exchanger.
KD 0 No m
VolCR
Volume of internals (right side of weir)
Volume of internal components.
KD 0 No mP
3
P

Separator

Solution Options
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Solution
Option
Solution Options
0 = ITERATED
1 = EXPLICIT
2 = LOCAL_ITERATED
3 = SIMULTANEOUS
If EXPLICIT, explicit Euler integration is used to
determine holdup moles and energy for the next
step, If ITERATED, implicit Euler integration is
used.
KI SIMULTANEOUS

Boundary Conditions
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
BoundarySpec
Boundary Conditions
0 = NONE
1 = P
2 = H
3 = T
4 = PT
to reach the steady state faster. Setting pressure
boundary condition will result in a material imbalance.
KI NONE No
Pb
Boundary pressure
maintain material balance if a boundary pressure is set.
KD Yes kPa
Tb
Boundary temperature
is set.
KD Yes K
Hb
Boundary enthalpy
maintain energy balance if a boundary enthalpy is set.
KD Yes
kJ/kg-
mol

Initialization
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Ar
r
Siz
UO
M
ReInitFlag
Initialize holdup flag
The vessel will reinitialize from a Source model if one is
specified. If not, the vessel will use an equimolar composition
and standard temperature and pressure. Midpoint levels will
be used if an initial L or L2 is not provided.
KB 1 No
Separator

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Ar
r
Siz
UO
M
OInitSource
If OInitSource is specified, the vessel, mass and energy will be
initialized from the specified Source model. The Source
should have the same Internal and ExternalPhases
specification as the vessel.
OBJE
CT

External Inputs
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
QimpL

Imposed heat to Liquid1.
External heat imposed on the first fluid holdup
DD0 Yes kJ/sec
QimpL2
Imposed heat to Liquid2.
External heat imposed on the second fluid holdup
DD0 Yes kJ/sec
QimpV
Imposed heat to Vapor.
External heat imposed on the vapor holdup
DD0 Yes kJ/sec
Tamb
Ambient temperature
global standalone point TAMB.
DDTAMBIENT Yes K

Weir:
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Qimpl2R
Imposed heat to liquid 2 (right side of weir)
External heat imposed on the second liquid phase holdup.
DD0 Yes kJ/sec
QimplR
Imposed heat to liquid (right side of weir)
External heat imposed on the liquid phase holdup.
DD0 Yes kJ/sec

Nozzles
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Li
array of feed streams. The height is relative to the bottom
most part of the vessel.
KD0 No
OFeed
Streams
m
Di
This is an array of nozzle diameters that corresponds to the
array of feed ports. This diameter is used to ramp
KD0.1 No
OFeed
Streams
m
Lx
bottom-most part of the vessel.
KD0 No
OProd
Streams
m
Dx Diameter of outlet port KD0.1 No OProd m
Separator

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
array of product ports. This diameter is used to ramp
pass.
Streams
DiL
array of LIQUID feed ports. This diameter is used to ramp
KD0.1
OFeed
Liquid
m
DiL2
array of LIQUID2 feed ports. This diameter is used to
ramp transition from one phase to another as phase
boundary pass. It is only used for reverse flow
KD0.1
OFeed
Liquid2
m
DiV
array of VAPOR feed ports. This diameter is used to ramp
KD0.1
OFeed
Vapor
m
DxL
array of LIQUID product ports. This diameter is used to
boundary pass.
KD0.1
OProd
Liquid
m
DxL2
array of LIQUID2 product ports. This diameter is used to
boundary pass.
KD0.1
OProd
Liquid2
m
DxV
array of VAPOR product ports. This diameter is used to
boundary pass.
KD0.1
OProd
Vapor
m

Recycle Rates
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
KVRecycle
Vapor Recycle tuning constant
Reciprocal of the time to mix contents of Vapor holdup with
recycle flash. A larger value brings the Separator to
equilibrium faster. A value of 0 means no internal recycle.
A value of 1/DELT means complete recycling of the holdup
contents.
KD 4 Yes 1/sec
Separator

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
KLRecycle
Liquid Recycle tuning constant
Reciprocal of the time to mix contents of Liquid holdup with
contents.
KD 0.01 Yes 1/sec
KL2Recycle
Liquid2 Recycle tuning constant
Reciprocal of the time to mix contents of Liquid2 holdup with
contents.
KD 0.01 Yes 1/sec

Entrainment
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
KL2entLiquid
Product liquid 2 entrainment factor
This is an array of LIQUID 2 entrainment
factors that corresponds to the array of LIQUID
product ports. It is used to calculate the
minimum LIQUID 2 port fraction in the product
stream based on the equation KL2ent*L2/H
where H is the total height of the Separator.
This value must be tuned to match reference
conditions.
KD0 Yes
OPROD
LIQUID
fraction
KL2entLiquid2
factors that corresponds to the array of LIQUID
2 product ports. It is used to calculate the
conditions.
KD0 Yes
OPROD
LIQUID2
fraction
KL2entProd
factors that corresponds to the array of
REGULAR product ports. It is used to calculate
the minimum LIQUID 2 port fraction in the
product stream based on the equation
KL2ent*L2/H where H is the total height of the
Separator. This value must be tuned to match
reference conditions.
KD0 Yes
OPROD
STREA
M
fraction
Separator

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
KL2entVapor
factors that corresponds to the array of VAPOR
conditions.
KD0 Yes
OPROD
VAPOR
fraction
KLentLiquid
Product liquid entrainment factor
This is an array of LIQUID entrainment factors
that corresponds to the array of LIQUID
minimum LIQUID port fraction in the product
stream based on the equation KLent*(L-L2)/H
This value must be tuned to match reference.
KD0 Yes
OPROD
LIQUID
fraction
KLentLiquid2
that corresponds to the array of LIQUID 2
KD0 Yes
OPROD
LIQUID2
fraction
KLentProd
that corresponds to the array of REGULAR
KD0 Yes
OProdStr
eam
fraction
KLentVapor
that corresponds to the array of VAPOR
KD0 Yes
OPROD
VAPOR
fraction
Separator

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
KVentLiquid
Product vapor entrainment factor
This is an array of VAPOR entrainment factors
that corresponds to the array of LIQUID
minimum VAPOR port fraction in the product
stream based on the equation KVent*(H-L)/H
KD0 Yes
OPROD
LIQUID
fraction
KVentLiquid2
that corresponds to the array of LIQUID 2
KD0 Yes
OPROD
LIQUID2
fraction
KVentProd
that corresponds to the array of REGULAR
KD0 Yes
OProdStr
eam
fraction
KVentVapor
that corresponds to the array of VAPOR
KD0 Yes
OPROD
VAPOR
fraction
KWent
Weir Liquid 2 flow entrainment factor
This factor is used to calculate the minimum
amount of liquid 2 that flows to the right side of
a Separator with a weir based on the equation
KWent*(L2/H) where H is the total height of the
Separator. A positive value is required to have
water entrainment from liquid products from the
right side of the Separator. This value must be
tuned to match reference. Typical values are
much less than one.
KD0 Yes fraction

Separator

Advanced
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
KLag
Used to dampen dynamic response. Can result in the
loss or creation of mass and energy. Should not be
used for engineering studies.
KD1 Yes fraction
DebugFlags
Vessel debug flags
KI 0 No 0
DebugFlagsTxt
Vessel debug flags
This parameter is a collection of debug flag indices.
It provides an easier way to enter the same flags
available in DebugFlags. Each equipment model
interprets the flags its own way.
0 No 0
KLF
Incompressible liquid volume fraction
Fraction used to determine if vessel is liquid filled. If
vessel's liquid volume fraction is greater than
specified value it is changed to liquid filled mode.
KD0.99 Yes fraction
VTol
Volume convergence tolerance
This is the fraction of the total Separator volume used
as a tolerance for the Separator pressure calculation.
KD0.0001 Yes
MaxIter
Iteration limit
Maximum number of iterations allowed when
calculating the Separator pressure.
KI 10 No

Calculated Values
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
L
Hydrocarbon phase level
Level of the Liquid holdup. It is measured from the bottom
of vessel. If there is a boot, this is the level from the bottom
of the boot.
DD -1 No m
L2
Aqueous phase level
Level of the Liquid2 holdup. It is measured from the
bottom of vessel. If there is a boot, this is the level from the
bottom of the boot.
DD -1 No m
Lfrac Fractional level of Liquid holdup DD 0 No fraction
L2frac Fractional level of Liquid2 holdup DD 0 No fraction
LFVol Fractional volume of total liquid. DD 0 No fraction
Mm
Metal Mass
Vessel mass calculated from vessel geometry and metal
density.
KD 0 No kg
MTV
Total vapor moles
Total holdup moles in the Separator for all components in
Vapor holdup.
DD 0 No kg-mol
Separator

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
MTL
Total liquid moles
Liquid holdup.
DD 0 No kg-mol
MTL2
Total liquid 2 moles
Liquid2 holdup.
DD 0 No kg-mol
Ql
Heat loss metal to ambient
indicates that the metal is losing heat to the surroundings.
DD 0 No kJ/sec
Qfv
Heat loss vapor to metal
Heat loss from Vapor holdup to metal. A negative value
DD 0 No kJ/sec
Qfl
Heat loss liquid to metal
Heat loss from Liquid holdup to metal. A negative value
DD 0 No kJ/sec
Qfl2
Heat loss liquid 2 to metal
Heat loss from Liquid2 holdup to metal. A negative value
DD 0 No kJ/sec
Converged
Convergence flag
Indicates if the pressure calculation converged within the
allowed iterations, equals 1when convergence achieved,
equals 0 otherwise. This flag is not applicable when liquid
filled condition occurs.
DI 0 No
IterUsed
Iterations used
Actual number of iterations used to calculate the Separator
pressure.
DI 0 No
LIQFILLED
Liquid filled flag
Indicates if the vessel is considered to be in liquid filled
condition in the current time step, equals 1 if in liquid filled
condition, equals 0 otherwise.
DI 0 No
MolAdj
Mole adjustment factor
Mole adjustment factor used to scale up (value > 1) or
scale down (value < 1) the moles and energy in each
holdup. This factor is only used when the Separator is in
liquid filled mode.
SD 0 No
MT
Total moles in the Separator
Total holdup moles in the Separator for all components and
holdups.
DD 0 No kg-mol
UT
Total internal energy of the Separator.
SD 0 No kJ
SArea
Surface Area
Surface area of the vessel. This value is calculated.
KD 1 Yes mP
2
P
Vol
Volume
Fluid volume of Vessel.
KD 1 Yes mP
3
P
L2R
Level of liquid 2 phase on right side of weir Absolute level
of the second liquid phase from bottom of vessel.
DD -1 No

m
Separator

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
L2fracR
Fractional level of liquid 2 phase in right side of weir
Fractional level of liquid 2 phase
DD 0 No

fraction
LR
Level of liquid phase on right side of weir Absolute level of
the first liquid phase from bottom of vessel.
DD -1 No

m
LfracR Fractional level of liquid phase on right side of weir DD 0 No

fraction
MTl2R
Total liquid 2 moles (right side of weir)
second liquid phase.
DD 0 No

kg-mol
MTlR
Total liquid moles (right side of weir)
liquid phase.
DD 0 No

kg-mol
EffHWeir
Effective height of weir
This is the actual height of the weir. This value takes into
account the depth of the bottom dish, if present.
KD 0 Yes

Derivatives
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
dMv
Total vapor holdup composition derivative
Array of derivative of total moles
for each Vapor holdup component.
DD0 No
Comp
Slate
kg-
mol/sec
dMl
Total liquid holdup composition derivative
Array of derivative of total moles
for each Liquid holdup component.
DD0 No
Comp
Slate
kg-
mol/sec
dMl2
Total liquid 2 holdup composition derivative
Array of derivatives of total moles for each
Liquid2 holdup component.
DD0 No
Comp
Slate
kg-
mol/sec
dP Pressure derivative DD0 No kPa/sec
dTm Metal temperature derivative DD0 No K/sec
dUTv
Total Vapor holdup internal energy derivative
Derivative of Vapor holdup total internal energy.
This is calculated from the flowing enthalpy of all
streams connected to the Separator, fluid heat
stream duty, and heat loss to metal.
DD0 No kJ/sec
dUTl
Total Liquid holdup internal energy derivative
Derivative of Liquid holdup total internal energy. This is
calculated from the flowing enthalpy of all streams
connected to the Separator, fluid heat stream duty, and
heat loss to metal.
DD0 No kJ/sec
dUTl2
Total Liquid2 holdup internal energy derivative
Derivative of Liquid2 holdup total internal energy. This is
calculated from the flowing enthalpy of all streams
connected to the Separator, fluid heat stream duty, and
heat loss to metal.
DD0 No kJ/sec
Separator

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
dMl2R
Total liquid 2 holdup composition derivative (right side of
weir) Derivatives of total moles for each second liquid
phase holdup component.
DD0 No
Comp
Slate
kg-
mol/sec
dMlR
Total liquid holdup composition derivative (right side of
weir) Derivatives of total moles for each liquid phase
holdup component.
DD0 No
Comp
Slate
kg-
mol/sec
dUTl2R
Total liquid 2 internal energy derivative (right side of weir)
Derivative of Separator second liquid phase holdup
internal energy calculated from the flowing enthalpy of all
streams connected to the Separator fluid heat stream duty
and heat loss to metal.
DD0 No No kJ/sec
dUTlR
Total liquid internal energy derivative (right side of weir)
Derivative of Separator liquid phase holdup internal
energy calculated from the flowing enthalpy of all streams
connected to the Separator fluid heat stream duty and heat
loss to metal.
DD0 No No kJ/sec

States
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Tm Metal Temperature SD 298 No K
MV
Total vapor holdup composition state
Array that includes the total moles of each component in the
Vapor holdup.
SD 0 No
Comp
Slate
kg-
mol
ML
Total liquid holdup composition state
Liquid holdup.
SD 0 No
Comp
Slate
kg-
mol
ML2
Total liquid 2 holdup composition state
Liquid2 holdup.
SD 0 No
Comp
Slate
kg-
mol
UTv
Total vapor holdup internal energy state
Total internal energy of the Vapor holdup.
SD 0 No kJ
UTl
Total liquid holdup internal energy state
Total internal energy of the Liquid holdup.
SD 0 N0 kJ
UTl2
Total liquid 2 holdup internal energy state
Total internal energy of the Liquid2 holdup.
SD 0 No kJ
Ml2R
Total liquid 2 holdup composition state (right side of weir)
second liquid phase holdup
SD 0 No
Comp
Slate
kg-
mol
MlR
Total liquid holdup composition state (right side of weir)
liquid phase holdup.
SD 0 No
Comp
Slate
kg-
mol
UTl2R
Total liquid 2 holdup internal energy state (right side of
weir)
Total internal energy of the second liquid phase holdup.
SD 0 No No kJ
Separator

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
UTlR
Total liquid holdup internal energy state (right side of weir)
Total internal energy of the liquid phase holdup.
SD 0 No No kJ

Topology
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
OFeedStream
Feed process stream
Array of object references to
feed streams.
STREAM
User
Specified

OProdStream
Product process stream
product streams.
STREAM
User
Specified

OFeedVapor
Vapor-only feed stream
vapor only feed streams.
STREAM
User
Specified

OFeedLiquid
Liquid-only feed stream
liquid only feed streams.
STREAM
User
Specified

OFeedLiquid2
Liquid2-only feed stream
liquid2 only feed streams.
STREAM
User
Specified

OProdVapor
Vapor-only product stream
vapor only product streams.
STREAM
User
Specified

OProdLiquid
Liquid-only product stream
liquid only product streams.
STREAM
User
Specified

OProdLiquid2
Liquid2-only product stream
liquid2 only product streams.
STREAM
User
Specified

OFluidHeatStream
Fluid heat stream
heat streams connected to the
fluid holdup of the Separator.
For Separator with weir, by
default, this stream will be used
on the left side of the weir.
HEAT
STREAM

User
Specified

OMetalHeatStream
Metal heat streams
heat streams connected to the
metal wall of the Separator.
HEAT
STREAM

User
Specified

FeedLiquid2Side
Side assignment for
Liquid2-port streams (weir
present)
Array of feed streams connected
to the liquid 2 port.
KI LEFT No
OFeed
Liquid2

Separator

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FeedLiquidSide
Side assignment for Liquid-port
streams (weir present)
Array of feed streams connected
to the liquid port.
KI LEFT No
OFeed
Liquid

FeedStreamSide
Side assignment for Feed
Array of feed streams.
KI LEFT No
OFeed
Stream

OFeedFluidHeatStreamR
Feed fluid heat streams (right
side of weir)
Array of feed heat streams
connected to the fluid of the
vessel. For Separator with weir,
user has to add the Heat Stream
name in the OEV, which will be
used on right side of the weir.
HEAT
STREAM
0
User
Specified

ProdLiquid2Side
Side assignment for Liquid2-
port streams (weir present)
Array of product streams
connected to the liquid 2 port.
KI LEFT No
OProd
LIquid2

ProdLiquidSide
Side assignment for Liquid-port
Array of product streams
connected to the liquid port.
KI RIGHT No
OProd
Liquid

ProdStreamSide
Side assignment for Product
Array of product streams.
KI RIGHT No
OProd
Stream

Legend:
KB - Static Boolean
KI - Static Integer
KF - Static Float
KD - Static Double

SB - State Boolean
SI - State Integer
SF - State Float
SD - State Double

DF - Dynamic Float
DD - Dynamic Double

Arr Siz A value here if indicates the size of the array. No value indicates that the parameter
is not a vector.

reaction submodel.

Separator

FAQ

Q. Where do I connect the heat streams?

A. Heat streams can be connected from devices that perform heat transfer calculation and sets
duty in the heat stream such as the Utility Exchanger. It should be noted that Heat Stream option
of HeatStream must be selected for this purpose.

Q. I see that Drum and Separator provide special ports for Vapor, Liquid and Liquid2
feeds and products. How does that work?

A. The difference between these ports and the regular feed and product ports is that user does not
have to enter data for the port location (height). The system figures out the correct port location.
Vapor ports sit at the very top of the Separator; Liquid and Liquid2 ports sit at the bottom of the
Separator. In case a boot is present, then the Liquid2 ports sit at the bottom of the boot and the
Liquid ports sit just above the boot section.

There is one significant difference between Drum and Separator. The Separator always routes the
special feeds to the corresponding holdup. Streams connecting to the Vapor Feed port are
assumed to be in the vapor phase, so they are routed to the vapor holdup. Liquid feeds and
Liquid2 feeds are handled in a similar way.

Q. Why are my compositions from the vapor stream incorrect?

A. Check the port locations for the vapor stream connection. The default port location for side
streams 0.0, which means that stream, may be pulling liquid out. Rectify this issue by altering the
port location to the top of the Separator and the problem should get resolved.

Q. How do I model heat transfer in submerged (internal) coils for a Separator?

A. Please refer to the related question on submerged coils in the Utility Exchanger FAQ section.

Shaft

Shaft

Introduction

Shaft is a mechanical torque coupling for Pumps, Compressors, Expanders and Motors. When a
Motor is not connected, the Shaft models the rotational inertia of all the rotating equipment on the
Shaft to calculate the angular acceleration. When connected to a Motor, the Motor sets the Shaft
speed.

Shaft

Fundamentals

Power Balance Algorithm

The rotational net power balance equation determines the net rotational power on the Shaft.

2
Re
Re
1
=
+ =

=
f
f Friction Friction
Friction
NJload
Load
Mechanical
Streams
NJapply
i
Apply Net
Speed
Speed
J J
J J J Power J

where:
JB
Apply
B - Additional power applied to the Shaft (kJ/sec)
JB
FrictionRef
B - Reference power loss due to friction (kJ/sec)
JB
Load
B - Additional power load on Shaft (kJ/sec)
JB
Net
B - Net shaft power (kJ/sec)
NJB
apply
B - Number of additional powers apply to the Shaft
NJB
load
B - Number of additional powers load to the Shaft
Power - Power transmitted from Expander/Pump/Compressor/Motor to Shaft (kJ/sec)
Speed - Shaft speed (rpm)
SpeedB
Ref
B - Reference Shaft speed (rpm)

The rate of change of speed is given by the following equation

Speed I
J
KACNV Speed
dt
d
Net
=

When Speed is below a user specified threshold value (SpeedLin) the following equation is used

SpeedLin I
J
KACNV Speed
dt
d
Net
=

where:
KACNV - Conversion factor =
( )
2
3
60 / 2
10

I - Inertia of the Shaft (kg-mP
2
P)
Speed - Current Shaft speed (rpm)
SpeedLin - Linearized Shaft speed (rpm)

Speed set by Motor

If a Motor object is attached to the Shaft, the Motor will set the speed of the Shaft and the
rotational inertia will not be used. The dynamics will be determined by the Motor ramp time.

Shaft

Example

The following example shows the application of a Shaft (SHAFT1) to drive two pumps (P1,P2).
Motor (M1) supports only one mechanical stream, so if it has to be connected to more than one
Pump then a Shaft must be used. A Motor is connected to the Shaft via a mechanical stream. So
Motor sets the speed of the Shaft. The Shaft is connected to the two pumps via two different
mechanical streams. So the Shaft sets the speed of the pumps.

MOTOR: M1
OMechStream[0] MS1 Mechanical stream connecting
Motor to the Shaft SHAFT1

SHAFT: SHAFT1
Motor M1 to the Shaft
Shaft to the Pump P1
Shaft to the Pump P2

SOURCE: SCR1
OProdStream[0] S1 Source product stream connecting to Pump P1
OProdStream[1] S3 Source product stream connecting to Pump P2
Mb[H2O] 1 fraction Boundary composition

Shaft

PUMP: P1
Shaft SHAFT1 to the Pump
OFeedStream S1 Pump feed stream connecting from
Source SCR1
OProdStream S2 Pump product stream connecting to
Sink SNK1
QScale 5 mP
3
DHScale 25 m Scale factor for head

PUMP: P2
Shaft SHAFT1 to the Pump
OFeedStream S3 Pump feed stream connecting from
Source SCR1
OProdStream S4 Pump product stream connecting to
Sink SNK1
QScale 5 mP
3
DHScale 25 m Scale factor for head

SINK: SNK1
OFeedStream[0] S2
Pump P1
OFeedStream[0] S4
Pump P2

Shaft


Basic Tab

Shaft Inertia

Inertia of rotor and all components correspond to the Inertia parameter. It affects the speed
dynamics of the Shaft. For faster dynamics lower value of inertia should be used. The user
should use manufacturer supplied data. If data is not available adjust this value for desired speed
dynamics.

Power required to start roll corresponds to the JBreak parameter. The default value can be used
in most of the cases.

Shaft Friction

Power loss at reference speed corresponds to the JFrictionRef parameter. The user may change
this value to account for friction losses. The power loss due to friction is usually negligible when
default setting is used.

Reference Shaft speed corresponds to the SpeedRef parameter. It is used in the power loss due to
friction calculations.

Shaft

External Inputs Tab

Only parameter references can be entered on this Data Entry Window.

Power Applied

Other power applied to Shaft corresponds to the JApply parameter. Any number of other powers
can be applied on the Shaft.

External Loads

Other power loads on the Shaft corresponds to the JLoad parameter. Any number of external
power loads can be applied on the Shaft.
Shaft

Notes Tab

Shaft

Parameter Table

Basic
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Inertia
Moment of inertia for the Shaft
A large value makes the Shaft respond more slowly. A
value too, small can lead to numerical instability.
KD15000 Yes kg-mP
2
P
JBreak
Power to start roll
The Shaft will not start turning until this minimum power is
applied.
KD0.1 No kJ/sec
JFrictionRef
Frictional power loss at ref speed
The Shaft loses this much power due to friction at the
reference speed. Friction loss is a function of the speed
squared.
KD0.001 No kJ/sec
SpeedRef
Reference Shaft speed
Reference speed for friction loss.
KD3600 No rpm

External Inputs
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
JApply
Other power applied to Shaft
Additional power to applied to Shaft. A positive value
will increase Shaft speed
DD

Yes
User-
Defined
kJ/sec
JLoad
Other power loads on Shaft
Additional power load on Shaft A positive value will
decrease Shaft speed.
DD Yes
User-
Defined
kJ/sec

Advanced
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
SpeedLin
Linearization Speed
Derivative of Shaft speed is linear with JNet when speed is
below SpeedLin and linear with Jnet /Speed when speed is
above SpeedLin.
KD 60 No rpm
SpeedZero
Critical coast down speed
Speed will be instantly set to zero when the speed drops below
this value.
KD 2 No rpm

Shaft

Calculated Values
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
dSpeed
Speed Derivative
Derivative of Shaft speed. This value is calculated from the
work balance of all the components connected to the Shaft
(JNet). A positive value of Net Power (Jnet) indicates that
the Shaft is speeding up.
DD 0 No rpm/sec
JNet
Net shaft power
Sum of all power applied to Shaft and loads on Shaft.
DD 0 No kJ/sec
JGross
Gross shaft power
Sum of all power applied
DD 0 No kJ/sec
JFriction
Power loss due to friction
Friction loss is a function of the speed squared.
DD 0 No kJ/sec
Speed
Shaft speed
Speed of the Shaft. Sets the speed of all devices connected to
it other than a Motor. A Motor can set the Shaft speed.
SD 0 No rpm

Derivatives
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
dSpeed
Speed Derivative
Derivative of Shaft speed. This value is calculated from the
work balance of all the components connected to the Shaft
(JNet). A positive value of Net Power (Jnet) indicates that
the Shaft is speeding up.
DD 0 No rpm/sec

States
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Speed
Shaft speed
Speed of the Shaft. Sets the speed of all devices connected to it
other than a Motor. A Motor can set the Shaft speed.
SD 0 No rpm

Topology
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
OMechStream
Mechanical Streams
Mechanical stream connected to Motor or other
devices like Expander with the Shaft.
MECH
STREAM

Shaft

Legend:
KB - Static Boolean
KI - Static Integer
KF - Static Float
KD - Static Double

SB - State Boolean
SI - State Integer
SF - State Float
SD - State Double

DF - Dynamic Float
DD - Dynamic Double



not a vector.

reaction submodel.

Slate Change

Slate Change

Introduction

Slate Change is a flow device that models black box reactors, lumps or delumps components, or
changes component or method slate. Slate Change allows different feed and product method and
component slates on either side.

Slate change is useful in stripping unused components from downstream equipment. For
example, a Slate Change can be used to remove all heavy components from the light ends from a
Crude Column to increase computational efficiency of the light ends equipment models.

Slate Change can distribute (delump) component into multiple components through component
mapping. For example, if only NCB
4
B is in the feed stream, it could be distributed to NCB
4
B and ICB
4
B in
the product stream. Slate change can also combine (lump) multiple components. For example,
NCB
4
B and ICB
4
B could be lumped into just NCB
4
B.

Slate Change models a black box reactor. Slate Change provides a boundary composition and a
linear conversion ramp between a composition defined by feed component mapping and this
boundary composition. A conversion of zero maps the feed composition to the outlet
composition. A conversion of one uses the outlet boundary composition. Dynsim equations or
Excel engine can be used to calculate the boundary composition to model the black box reaction.

Although a Slate Change is not required when changing method slates, a slate change may be
recommended. Other flow devices such as valve are isenthalpic, which may result in a
temperature change while changing method slates. Slate Change is isothermal and recalculates
the outlet enthalpy based on the inlet temperature.

Slate Change can alter the exit mole composition basis by specifying pass-through fractions for
individual components. This provides a simple way to specify the removal of certain components
from the stream (e.g. removal of a fraction of H2S from the stream).

The operations supported by Slate Change may not have basis in physical or engineering
relationships. Thus, it is expected that the user will use his discretion in employing this model.

Slate Change

Fundamentals

Component Mapping and Pass-through Fraction

The Slate Change model allows the user to map any of the inlet components to the outlet
components. The inlet component can be distributed over the mapped product components by
specifying the pass-through fractions. Pass-through fraction is defined as the fraction of the feed
component converted to the mapped product component. The definition is the same for feed and
product pass-through fractions. The Slate Change model allows different pass-through fraction to
be specified for forward and reverse flows.

( ) [ ] ( ) [ ] ( ) i XF i MAP Z i MAP Z
f i f x f
i x
=

( ) [ ] ( ) [ ] ( ) i XF i MAP Z i MAP Z
r x r i r
x i
=

where:
i - Link index
MAPB
i
B - Feed map indexed by link
MAPB
x
B - Product map indexed by link
ZB
fi
B - Feed mole fraction component mole vector indexed by inlet MAP (fraction)
ZB
fx
B - Product mole fraction component mole vector indexed by exit MAP (fraction)
ZB
ri
B - Feed reverse mole fraction component mole vector indexed by inlet MAP (fraction)
ZB
rx
B - Product reverse mole fraction component mole vector indexed by exit MAP (fraction)
XFB
f
B - Forward pass-through fraction for forward flow indexed by link (fraction)
XFB
r
B - Reverse pass-through fraction for reverse flow indexed by link (fraction)

The forward pass-through fractions of a given feed component that is getting distributed over the
product component should sum to one. Similarly, for reverse flow reverse pass-through fractions
of a given product component that is getting distributed over the feed components should sum to
one.

Example

The following example shows how component linking and exit stream specifications are used in
lumping and delumping components. Consider a Slate that consists of the components HB
2
B, CHB
4
B,
CB
2
BHB
6
B, IC4 and NBP240. Let us assume that there is only HB
2
B and NBP240 in the feed and is
cracked to yield CHB
4
B, CB
2
BHB
6
B and ICB
4
B.

Slate Change

The following table indicates the mapping and specifies the pass-through fractions for feed
components mapped into product components and vice versa.

Inlet
Component
Mapping
Array
Component
Outlet
Component
Mapping
Array
Component
Feed
pass-
through
fraction
array
Feed
pass-
throug
h
fraction
Product
pass-
through
fraction
array
Product
pass-
through
fraction
MAPI[0] HB
2
B MAPX[0] HB
2
B XFF[0] 0.1 XFR[0] 1
MAPI[1] HB
2
B MAPX[1] CHB
4
B XFF[1] 0.2 XFR[1] 0.5
MAPI[2] HB
2
B MAPX[2] CB
2
BHB
6
B XFF[2] 0.3 XFR[2] 0.5
MAPI[3] HB
2
B MAPX[3] IC4 XFF[3] 0.4 XFR[3] 0.6
MAPI[4] NBP240 MAPX[4] NBP240 XFF[4] 0.15 XFR[4] 1
MAPI[5] NBP240 MAPX[5] CHB
4
B XFF[5] 0.2 XFR[5] 0.5
MAPI[6] NBP240 MAPX[6] CB
2
BHB
6
B XFF[6] 0.3 XFR[6] 0.5
MAPI[7] NBP240 MAPX[7] IC4 XFF[7] 0.35 XFR[7] 0.4

The pass-through fraction(s) of a given feed component that is getting distributed over the
product components should sum up to 1. Similarly, for reverse flow the pass-through fraction(s)
of a given product component that is getting distributed over the feed components should sum up
to 1.

If 200 kg-mol of H2 and 100 kg-mol of NBP240 are present in the feed, the product will have the
following distribution when the balance option is COMP_MOLE.

Component Flow in Flow out
HB
2
B 200 F[H2]*XFF[1] 20
NBP240 100 F[NBP240]*XFF[5] 15
CHB
4
B 0 F[H2]*XFF[2]+ F[NBP240]*XFF[6] 60
CB
2
BHB
6
B 0 F[H2]*XFF[3]+ F[NBP240]*XFF[7] 90
IC4 0 F[H2]*XFF[4]+ F[NBP240]*XFF[8] 115
300 300

Slate Change

If only one component is present in a stream, which has a large number of components (say 30),
the resources to perform flash calculation is the same as 30 components. Instead the Slate
Change can be used to change the product component slate to a single component slate so that the
resources to perform flash can be considerably reduced.

Balance Options

During component linking and conversion it is necessary to maintain a mass or mole balance.
Three options are available for balancing the inlet and outlet component flow rates. They are

Component mole balance
Mass balance
Slack component balance

Slate Change

Mole Balance

The mole balance option gives the same total component moles at the outlet as in the inlet. The
mass balance may not be satisfied in this case. This option can be used when one wants to drop
certain components from the stream. Say a user wants to remove most of the HB
2
BS from a stream.
In this case, most of the component in the feed is linked to the same component in the product
with an pass-through fraction of 1.0. However, HB
2
BS in feed linked with an pass-through fraction
of 0.05. So, the product stream will have 95% of the HB
2
BS removed.

Mass Balance

The mass balance option ensures that there is always a mass balance between inlet and outlet
streams. This is typically used in the black box modeling of the reactor, where the component
slates for the feed and products may be different.

Slack Component Balance

The slack component balance option is similar to the mass balance option. The user identifies
one component as the slack component. The pass-through fraction of this component is
automatically adjusted by the Slate Change model, to achieve mass balance, while all other
component mappings are maintained on a mole basis. The user can set different slack
components for the forward flow and reverse flow options. The slack component is specified
with the slackx parameter for forward flow and slacki for reverse flow.

Boundary Composition and Conversion Factor

The user can provide boundary composition to represent the base case for chemical reactions. It
is used to determine the outlet composition based on a conversion factor. The fraction of
normalized boundary composition in the product composition is defined as the conversion factor.

( ) [ ] ( ) ( ) [ ] ( )
+ =
oduct
Components
f
f
f f i f f x f
Mb
Mb
Conv l XF l MAP Z Conv l MAP Z
i x Pr
1

( ) [ ] ( ) ( ) [ ] ( )
+ =
Feed
Components
r
r
r r x r r i r
Mb
Mb
Conv l XF l MAP Z Conv l MAP Z
x i
1

where:
ConvB
f
B - Forward conversion (fraction)
ConvB
r
B - Reverse conversion (fraction)
MbB
f
B - Forward composition boundary mole component vector (fraction)
MbB
r
B - Reverse composition boundary mole component vector (fraction)

The following example shows the calculation of outlet composition for a conversion factor of 0.5.

Slate Change

Components Normalized output
composition from
component linking
Normalized
boundary composition
Outlet
composition
H2 0.1 0.2 0.15
NBP240 0.2 0.2 0.2
CH4 0.3 0.2 0.25
C2H6 0.3 0.2 0.25
IC4 0.1 0.2 0.15

Flow Calculations

Slate Change flow calculations are based on the product flash density determined at the outlet
pressure. Please refer to Base Equipment Fundamentals section on Flow Conductance for more
details on forward and reverse flow.

Flash

Slate Change model always performs a flash calculation. It uses an isothermal flash since the
component slate or method slate may change. Be sure that the FlashFlag for the upstream units
are set so that Slate Change has the correct inlet temperature. There are two flash submodels,
ProdFlash performs the isothermal flash for forward flow in the product stream. and FeedFlash
performs an isothermal flash for reverse flow in the feed stream.

Boundary Conditions

Boundary spec fixes the temperature or enthalpy of the outlet stream to a constant value. The
boundary conditions should not be left in place. They should be used only for tuning and
debugging. There are separate boundary conditions for forward and reverse flow.

Slate Change

Examples

Example 1

The following example shows how a Slate Change model (SC1) can be used for change of
product slate. The feed consists of 11 components in the component slate. The mole fraction of
water in the feed stream is 1 and all other component mole fractions are zero. Lets assume that
this stream will be further processed and there are many calls in the subsequent equipment
models. The resources to perform thermodynamic calculations are the same as for 11
components, even though only water is present. To reduce the computational overhead of the
downstream equipment models, the Slate change only includes water in the product stream
component slate. The Slate Change model can be used to change the product slate so that the
resources to perform flash calculations are reduced significantly.

The Slate Change is sized for flow of 18.5 kg/sec flow and 20 kPa pressure drop, so it has a flow
conductance of 0.151 (kg/sec)/sqrt(kPa-kg/mP
3
P). A component slate with only water is set for the
product side of the Slate Change. The water component in the feed slate is linked with the water
component of the product slate by component linking. The pass-through fraction for feed and
product is set to 1. It is assumed that there will be reverse flow, so the reverse flow factor is set to
1.

SOURCE: SRC1
OProdStream[0] S1 Source product stream to Slate Change
SC1
Mb[H20] 1 fraction Source boundary composition specification
Note: The composition of remaining
components is set to 0.
Spec PT Boundary specification type
CompSlate ALL Component slate

SLATECHANGE: SC1
OFeedStream S1 Slate Change feed stream from Source
SRC1
OProdStream S2 Stream Set product stream to Valve XV1
J 0.151 (kg-sec)/
sqrt(kPa-
kg/mP
3
P).
Flow conductance
KJr 1 fraction Reverse flow factor
Mapi[0] H2O Component identity of feed component
Slate Change

selected
Mapx[0] H2O Component identity of product component
selected
XFF[0] 1 fraction Pass-through fraction of the mapped feed
component in product, used in forward
flow calculations
XFR[0] 1 fraction Pass-through fraction of the mapped
product component in feed, used in reverse
flow calculations
FeedCompSlate ALL Feed component slate
ProdCompSlate WATER Product component slate

VALVE: XV1
OFeedStream S2
Valve feed stream from Slate
Change SC1
Cv 100 Cv Valve Cv
CompSlate WATER Component slate

SINK: SNK1
Pb 200 Boundary pressure

Example 2: Modeling a burner using the Slate Change model

This example shows how to configure a burner using the Slate Change model. It uses a LHV of
890,000 kJ/kg-mol of C1. Natural Gas from a Source at 1000 kPa and temperature of 300 K is
mixed with compressed air. Stoichiometric equations allow us to calculate the amount of
combustion as the minimum of the moles of methane or half the moles of oxygen in the feed gas.
The flue gas composition is calculated in the MBF array of Slate Change object Burner. For
startup without pilot light on, set the CONVF to zero to pass composition through. In this
example, the specific heat of the gas is chosen to be 41.9 kJ/kg-mol/K, leading to a flame
temperature of 2128 K.
Slate Change

SOURCE: NATGAS
OProdStream[0] S3
the Valve XV1
Mb[HB
2
B0] 0 kg-mol Boundary composition
Mb[CH4] 1 kg-mol Boundary composition
Mb[CO2] 0 kg-mol Boundary composition

SOURCE: AIR
OProdStream[0] S1
the Compressor K1
Mb[H20] 0 kg-mol Boundary composition
Mb[CH4] 0 kg-mol Boundary composition
Mb[CO2] 0 kg-mol Boundary composition

Slate Change

COMPRESSOR: K1
OProdStream[0] S2
Compressor product stream
connecting to the Header H1
OFeedStream S1 Compressor feed stream from Air
Flow Curve Scale 10 Flow Curve Scale
Head Curve Scale 10 Head Curve Scale
Efficiency Curve
Scale
1 Efficiency Curve Scale
UseDefaultCurve true
Should Dynsim use a default
curve for head v. flow
calculations
Calculation Method RIGOROUS Calculation Method
InterpolationOption LINEAR Interpolation Option

MISCEQTN: COMB
OUT[0] MIN(S5.Z[CH4],S5.Z[O2]*0.5)
Calculate available
combustion

Slate Change

SLATECHANGE: BURNER

CPGAS - Specific heat of gas (cal/mol-deg K) = 10.34 + 0.00274T - 195500/TP
2
P

Equations for TBF and MBF should be assigned in the Object Editor Viewer (OEV).

SINK: SNK1
OFeedStream[0] S6 Sink feed stream from Burner

OFeedStream S5 Slate Change feed
stream from
Header H1
OProdStream S6 Slate Change
product stream to
Sink SNK1.
J 10.0 (kg-sec)/
sqrt(kPa-
kg/mP
3
P).
Flow conductance
KJr 1 fraction Reverse flow
factor
BalOption MASS Balance Option
Mapi[0] O2 Feed map
Mapi[1] N2 Feed map
Mapi[2] CH4 Feed map
ForwardBoundarySpec T Forward boundary
specification
TBF S5.T +
(COMB.OUT[0]*LHV/S5.FF/CPGAS)
Forward boundary
temperature
MBF[O2] S5.FF*S5.Z[O2] - 2* COMB.OUT[0] Exit stream
composition in
mole numbers
MBF[N2] S5.FF*S5.Z[N2] Exit stream
composition in
mole numbers
MBF[CH4] S5.FF*S5.Z[CH4] - COMB.OUT[0] Exit stream
composition in
mole numbers
MBF[CO2] COMB.OUT[0] Exit stream
composition in
mole numbers
MBF[H2O] 2* COMB.OUT[0] Exit stream
composition in
mole numbers
Slate Change


Basic Tab

Balance Option

Balance Option corresponds to the BalOption parameter. The default option is Mass Balance, it
can be used for most of the cases. This option should be used when Slate Change is used to
model a reactor. The Component Mole Balance option should be used for change of slate. The
Slack Component option should be used only for special cases, based on the judgment of the user.

Slack Component

Slack component in forward direction corresponds to Slacki parameter. The component
identifier, whose composition is adjusted in the exit stream for mass balance in forward flow
case, is set here.
Slate Change

Slack component in reverse direction corresponds to Slackx parameter. The component
identifier, whose composition is adjusted in the inlet stream for mass balance in reverse flow
case, is set here.

Flow Calculations

The flow conductance corresponds to the J parameter. This value can be calculated from the
desired steady state flow and the pressure drop. The user may have to adjust this value based on
an initial trial to obtain the desired results.

The reverse flow conductance factor corresponds to the KJr parameter. If no reverse flow is
desired, then set this value to 0, otherwise leave it at the default value of 1.

Component Links and Pass-through fractions

The components in feed and product correspond to the MAPi and MAPx parameters
respectively. The component identifiers of feed components linked to the product components
are set with parameters.

The forward flow component pass-through fraction from feed corresponds to XFf parameter. The
fraction of the feed component converted to product component, based on the component linking
should be set here. The sum of pass-through fractions corresponding to a particular component
should add up to 1.

The reverse flow component pass-through fraction from product corresponds to XFr parameter.
The fraction of the product component converted to feed component, based on the component
linking when the flow is in the reverse direction. The sum of pass-through fractions
corresponding to a particular component should add up to 1.

Slate Change


Forward Boundary Composition

The forward boundary composition conversion corresponds to the Convf parameter. The fraction
of boundary composition present in product in forward flow condition is set here. The default
value of 0 results in product composition update based only on the component linking. It can be
set during simulation of chemical reactions.

The forward flow boundary composition corresponds to Mbf parameter. The boundary
composition used in forward flow is set here. The base composition for chemical reactions can
be set here.

Energy specification boundary condition corresponds to the ForwardBoundarySpec parameter.
Temperature or Enthalpy boundary conditions can be set for forward flow. The default value of
None should be used after model tuning. It should be noted that selection of the boundary
condition for energy specification results in energy imbalance. It should be used only for
simulation tuning and debugging, and should not be left in place

Temperature and Enthalpy corresponds to the Tbf and Hbf parameters. These values should be
set depending on the selection of the type of boundary condition.

Reverse Boundary Composition

The reverse boundary composition conversion corresponds to the Convr parameter. The fraction
of boundary composition present in feed in reverse flow condition is set here. The default value
Slate Change

of 0 results in feed composition update based only on the component linking. It can be set during
simulation of chemical reactions.

The reverse flow boundary composition corresponds to the Mbr parameter. The boundary
composition used in reverse flow is set here. The base composition for chemical reactions can be
set here.

Energy specification boundary condition corresponds to the ReverseBoundarySpec parameter.
Temperature or Enthalpy boundary conditions can be set for reverse flow. The default value of
None should be used after model tuning. It should be noted that selection of the boundary
condition for energy specification results in energy imbalance. It should be used only for
simulation tuning and debugging, and should not be left in place.

Temperature and Enthalpy corresponds to the Tbr and Hbr parameters. These values should be
set depending on the selection of the type of boundary condition.

Slate Change

Thermo Tab

Feed

Feed Component slate corresponds to the FeedCompSlate parameter, Feed Method Slate to the
FeedMethodSlate parameter. Feed Local thermo options correspond to the
FeedLocalThermoOption parameter, and Feed Local flash options corresponds to the
FeedLocalFlashOption. Set the local thermo and flash options based on the configuration in
SIM4ME thermo.
.
Phase Options

Feed InternalPhases corresponds to the FeedInternalPhases parameter. Use this to specify the
kind of flash performed by SIM4ME Thermo. Feed ExternalPhases corresponds to the
FeedExternalPhases parameter.

Product

Product Component slate corresponds to the ProductCompSlate parameter, Product Method
Slate to the ProductMethodSlate parameter. Product Local thermo options correspond to the
ProductLocalThermoOption parameter, and Product Local flash options correspond to the
ProductLocalFlashOption. Set the local thermo and flash options based on the configuration in
SIM4ME thermo.
Slate Change

Phase Options

Product InternalPhases corresponds to the ProductInternalPhases parameter. Use this to specify
the kind of flash performed by SIM4ME Thermo. Product ExternalPhases corresponds to the
ProductExternalPhases parameter.
Slate Change

Notes Tab

Slate Change

Parameter Table
Basic
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
BalOption
Balance option
Allowable values are COMP_MOLES, MASS,
SLACK_COMP. COMP_MOLES will maintain
molar balance between inlet and outlet. MASS will
readjust the component moles to maintain mass
balance. SLACK_COMP will maintain mass
balance by adjusting the slack component.
0 = COMPONENT MOLAR BALANCE
1 = MASS BALANCE
2 = SLACK COMPONENT
KI MASSNo
J
Flow Conductance
Flow conductance defined by the equation W = J
* sqrt (P * R) where W is mass flow, P is
pressure drop, and R is mass density in internal
units.
KD0.01 Yes
(kg/sec)/
sqrt(kPa-
kg/mP
3
P)

KJr
Reverse flow factor
like a check valve.
KD1 Yes fraction
MAPi
Feed map
Feed map link. The component identifier of the
feed component to be mapped to the product
component is specified with this parameter.

User
Defined
Links

MAPx
Product map
Product map link
The component identifier of the product
component to be mapped to the feed component is
specified with this parameter.

User
Defined
Links

Slacki
Feed Slack component
Slack component for feed. The composition of this
component will be altered in the product stream to
maintain mass balance in forward flow.
No
Slackx
Product Slack component
Slack component for product. The composition of
this component will be altered in the feed stream
to maintain mass balance in reverse flow.
No
XFf
Forward pass-through Fraction
Array of component pass-through fractions in
forward direction. A value of 0 completely
removes the component from the stream, while a
value of 1 passes all of the components through.
KD1 Yes
User
Defined
Links
fraction
XFr Reverse pass-through fraction KD1 Yes User fraction
Slate Change

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Array of component pass-through fractions in
reverse direction. A value of 0 completely
removes the component
from the stream, while a value of 1 passes all of
the component through.
Defined
Links
Convf
Component conversion
Component conversion in forward direction. A
value of 0 will use links, while a value of 1 will
use boundary compositions. Between 0 & 1 both
will be used.
KD0 Yes fraction
Convr
Component conversion
Component conversion in reverse direction. A
value of 0 will use links, while a value of 1will use
boundary compositions. Between 0 & 1 both will
be used.
KD0 Yes fraction

Boundary Conditions
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
ForwardBoundary
Spec

Forward boundary flash specification
0 = NONE
1 = T
2 = H
KI NONE
Hbf
Forward boundary enthalpy
Boundary enthalpy is applied if
ForwardBoundarySpec is equal to H. Applied in
forward direction of flow.
KD Yes
kJ/kg-
mol
Hbr
Reverse boundary enthalpy
Boundary enthalpy is applied if
ReverseBoundarySpec is equal to H. Applied in
reverse direction of flow.
KD Yes
kJ/kg-
mol
Mbf
Boundary Conditions
Mole numbers for each component in forward
direction. These values are normalized to
calculate the exit stream mole fractions.
KD0 Yes
Prod
Comp
Slate
kg-mol
Mbr
Boundary Conditions
Mole numbers for each component in reverse
direction. These values are normalized to
calculate the inlet stream mole fractions.
KD0 Yes
Feed
Comp
Slate
kg-mol
ReverseBoundary
Spec

Reverse boundary flash specification
0 = NONE
1 = T
2 = H
KI NONE
Slate Change

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Tbf
Boundary temperature is applied if
ForwardBoundarySpec is equal to T. Applied in
forward direction of flow.
KD Yes K
Tbr
Boundary temperature is applied if
ReverseBoundarySpec is equal to T. Applied in
reverse direction of flow.
KD Yes K

Thermo
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
FeedCompSlate
Feed component slate
ModThermo feed component slate. It should be
consistent with the upstream equipment.

FeedMethodSlate
Feed method slate
ModThermo feed method slate

ProdCompSlate
Product component slate
ModThermo product component slate. It should be
consistent with the downstream equipment.

ProdMethodSlate
Product method slate
ModThermo product method slate

Topology
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
OFeedStream
Feed Stream
Slate Change feed stream. Identifies the feed, or inlet,
devices.
STREAM
OProdStream
Product Stream
Slate Change product stream. Identifies the product,
or outlet, stream and its associated fluid properties.
This entry must be unique to all other product streams
in the flowsheet. However, this entry can be the same
as a feed stream identifier to another unit.
Only one product stream can be connected from the
flow devices.
STREAM

Slate Change

Legend:
KB - Static Boolean
KI - Static Integer
KF - Static Float
KD - Static Double

SB - State Boolean
SI - State Integer
SF - State Float
SD - State Double

DF - Dynamic Float
DD - Dynamic Double

not a vector.

reaction submodel.
Tank

Tank

Introduction

The Tank is a pressure node object that can be used as a liquid storage vessel. The Tank includes
a single liquid holdup volume with blanket gas being optional that operates at constant pressure.
Since the Tank is a single holdup model, all the exit streams will be at the same temperature.

The Tank will overflow its contents onto the ground (material loss) if the level exceeds the tank
height. The blanket gas if present will flow out of the Tank when emptied.

The Tank accounts for heat transfer from fluid to the metal and metal to surroundings. The Tank
also permits heat transfer from external sources directly to the metal and/or fluid through heat
streams.

Tank

Fundamentals

Holdups

Tank uses Incompressible holdup pressure dynamics with Explicit solution.

Tank uses the total liquid holdup properties for solving the equations similar to the Compressible
holdup calculations in Drum and Header. However, the Tank contents are not compressible and
pressure is always a constant (boundary condition). The volume of the liquid is used to calculate
the level. The differential equations describing a Compressible fluid holdup in a Tank are:

=
+ + + =
=
Components
T
v Vent Over imp fh f
oduct
Streams
r r f f
Feed
Streams
r r f f T
oduct
Streams
Vent Over r r f f
Feed
Streams
r r f f
M M
H F H F Q Q Q H F H F H F H F U
dt
d
Y F Z F Z F Z F Z F Z F M
dt
d
. ) ( ) (
. . ) ( ) (
Pr
Pr

where:
FB
f
B - Forward flow in (kg-mol/sec)
FB
r
B - Reverse flow in (kg-mol/sec)
H - Total holdup enthalpy (kJ/kg-mol)
HB
f
B- Forward flow enthalpy in (kJ/kg-mol)
HB
r
B - Reverse flow enthalpy in (kJ/kg-mol)
M - Total holdup mole component vector in (kg-mol)
MB
T -
BTotal holdup moles in (kg-mol)
QB
f
B - Heat loss from fluid to metal in (kJ/sec)
QB
fh
B - Fluid heat stream in (kJ/sec)
QB
imp
B - Imposed heat in (kJ/sec)
UB
T
B - Total holdup internal energy in (kJ)
ZB
f
B - Forward flow mole composition component vector (fraction)
ZB
r
B - Reverse flow mole composition component vector (fraction)
Z - Holdup mole composition component vector (fraction)
Y - Holdup vapor mole composition component vector (fraction)
FB
Over
B - Overflow from the tank in (kg-mol/sec)
FB
Vent
B - Vent flow from the tank in (kg-mol/sec)

The liquid overflow from the top of the Tank is calculated using the equation:

( )
L over over
R Len L
Dia
K F .
4
2

=

where:
Dia - Diameter of a vertical vessel in (m)
L - Liquid Level in (m)
Len - Tank height in (m)
FB
over
B - Overflow from Tank in (kg-mol/sec)
KB
over
B - Overflow constant in (1/sec)
Tank

RB
L
B - Liquid molar density in (kg-mol/m3)

The equation above assumes a vertical vessel without heads for calculating overflow. For other
orientations, an equivalent diameter is used with the vessel height.

The vent flow from the tank accounts for any vapor formation in the tank. It is calculated using
the equation:

VF M K F
T Vent Vent
=

where:
MB
T
B B
-
BTotal holdup moles in (kg-mol)
KB
Vent
B - Vent flow coefficient (1/sec)
VF - Vapor fraction from the holdup (fraction)
FB
Vent
B - Vent flow from the tank in (kg-mol/sec)

Phase Separation

The Tank makes use of the Internal Phases and External Phases to determine the type of
separation it performs. Even though it is not required, typically Internal Phases and External
Phases will correspond to each other.

Internal Phases can be Liquid, VLE, VLLE, Free Water, or Decant. Liquid is the default. VLLE,
Free Water, or Decant can be used if there are multiple liquid phases in the tank to calculate a
second liquid level. Please refer to the Base Equipment Fundamentals section for a more
detailed discussion on Internal and External Phases. Holdup Initialization

Please refer to the Base Equipment Fundamentals Section for Holdup Initialization
documentation.

Orientation

Please refer to the Base Equipment Drum model for Orientation documentation.

Port Location and Port Diameter

If BlanketBoundary option is unchecked, as the Tank is drained, the liquid cannot empty below
the top level of the highest port. The contents and level will remain constant at this value. This is
the default operation.

If BlanketBoundary is checked, as the Tank is drained, the port location and diameter is used to
determine the amount of the vapor boundary composition and the liquid holdup composition.
These are used to determine the feed reverse flow and product forward flow.

Please refer to the Base Equipment Fundamentals Section for Port Location and Port Diameter
documentation.

Tank

Heat Transfer

The Tank permits heat transfer from an external source to the fluid or metal and it can be
configured through heat streams. Please refer to the Base Equipment Fundamentals Section for
Heat Transfer documentation.


The Tank model always has a pressure boundary specification. In addition, the user may also set
a temperature or enthalpy boundary for the fluid.

Furthermore, the Tank model has boundary blanket gas, with pressure, temperature, and
composition specified for the BlanketBoundary operation
When the boundary conditions are set, the mass and energy balances are not satisfied.
These boundary conditions should be used only for simulation tuning and debugging. Default for
BoundarySpec parameter is None.

Tank

Example

The following example shows the configuration of a atmospheric tank with a level controller.
Tank (T1) is fed with hydrocarbon feed at the rate of 25 kg/sec. The Tank pressure is maintained
at 101 kPa by default since it is an atmospheric storage tank. The hydrocarbon feed is at 850 kPa
and 318.5 K. A level PID controller (LC001) controls the liquid level in the Tank.

The Tank is assumed to be at ground level, so default value of 0 is used for elevation. The length
and diameter of the Tank are 12 m and 6 m respectively. These values can be generally obtained
from equipment data sheets. The liquid feed stream port will typically be located close to the
bottom; therefore the port height is set at 0 m. The liquid product stream port assumes a port
height corresponding to zero reference level (0 m). The diameter of the feed port and product
port can be set to the same value as the Pipe diameter connecting the Tank. In this case, it is
assumed that the feed and the product port diameter are 0.1 m. The feed Valve (XV1) has a CB
v
B of
200, and the product Valve (XV2) has a CB
v
B of 100.

SOURCE: SOURCE
OProdStream[0] S1
XV1
Mb[IPENTANE] 0.35 Boundary composition
Mb[PENTANE] 0.3 Boundary composition
Mb[HEXANE] 0.35 Boundary composition

VALVE: XV1
OFeedStream S1 Valve feed stream from Valve XV1
OProdStream S2 Valve product stream to Tank T1
CB
v
B 200 CB
v
B Valve CB
v
B
Op 0.6 fraction Valve opening

TANK: T1
OFeedStream[0] S2 Tank feed stream from Valve XV1
OProdLiquid[0] S3 Tank liquid stream to Valve XV2
Orientation VERTICAL Tank orientation
Dia 6 m Tank diameter
Tank

Len 12 m Tank height
OINITSOURCE SOURCE
Instance of Source from which Tank
is initialized
REINITFLAG 1 Re-initialization flag
Li[0] 0 m Feed port location
SolutionOption EXPLICIT
Solution option for pressure
calculation
Use Blanket Gas 0 Blanket gas flag

VALVE: XV2
OFeedStream S3
of Tank T1
OProdStream S4 Valve product stream to Sink SINK
CB
v
B 100 CB
v
B Valve CB
v
B
Op LC001.OUT fraction
PID controller output attached to the
Valve open command.

PID: LC001
PV T1.L m
Drum liquid level attached to the PV
of PID controller
SP 6 m Set point of the level PID controller
Kp 1 PID controller proportional gain
Hi_In 12 m High limit on PID controller input
Lo_In 0 m Low limit on PID controller input
Hi_Out 1 High limit on PID controller output
Lo_Out 0 Low limit on PID controller output

SINK: SNK1

Default values are used for the parameters not specified in the table.
Tank


Basic Tab

Elevation

Elevation corresponds to the E parameter. The elevation of the vessel is specified with respect to
the reference ground level. This value is used in the static head correction of the feed and product
stream pressures.

Orientation

Orientation corresponds to the Orientation parameter. Vertical, Horizontal, and Spherical
orientations are used when there is two-phase separation. Vertical Boot and Horizontal Boot
orientations can be used when there is three-phase separation. User Defined orientation is used to
set user defined geometry based on the height and cross sectional area.
Tank

Geometry

Diameter corresponds to the Dia parameter for the Tank. The diameter is set for all kinds of
orientations except User Defined orientation. For Horizontal, Horizontal Boot orientations it
corresponds to the height of the vessel and for Vertical, Vertical Boot, Spherical orientations it
corresponds to the diameter. This data can be obtained from data sheets. It should be set for
accurate liquid level calculations.

Length corresponds to the Len parameter of the Tank. The diameter is set for all kinds of
orientations except Spherical. For Horizontal, Horizontal Boot orientation it corresponds to the
length of the vessel and for Vertical, Vertical Boot orientation it corresponds to the height. This
data can be obtained from data sheets. It should be set for accurate liquid level calculations

Boot diameter corresponds to the DiaBoot parameter. The boot diameter is set for Vertical Boot
and Horizontal Boot orientations. The definition of the boot diameter is the same irrespective of
the kind of orientation. This data can be obtained from data sheets. It should be set for accurate
liquid level calculations

Boot length corresponds to the LenBoot parameter. The boot length is set for Vertical Boot and
Horizontal Boot orientations. The definition of the boot length is the same irrespective of the
kind of orientation. This data can be obtained from data sheets. It should be set for accurate
liquid level calculations

Thickness corresponds to the Thk parameter. The Tank thickness is used in calculating the metal
mass, which is used in Tank metal temperature calculation. Default value can be used for most of
the cases.

Number of heads corresponds to the NumHeads parameter. A maximum of two heads can be set
for Horizontal and Vertical orientation. Setting this value to 1 simulates the bottom head for
Vertical orientation. There are no heads corresponding to the boots. The default value can be left
in place if no heads are simulated.

Head ratio corresponds to the HeadRatio parameter. It is used in the head height calculations.
Default value can be used for most of the cases.

Height corresponds to the Height parameter. It is set for User Defined geometry only. A
minimum of two sets of values of Area and Height should be specified to set user defined
geometry for the Tank. The user can add more points by adding new rows.

Area corresponds to the Area parameter. It is set for User Defined geometry only. A minimum
of two sets of values of Area and Height should be specified to set user defined geometry for the
Tank. The user can add more points by adding new rows.

Tank

Blanket Gas Tab

Tank

Tank

The blanket gas pressure corresponds to the BlanketPB parameter. If the blanket gas pressure is
different from atmospheric pressure, set this value accordingly. Otherwise default value of 101.3
kPa will be used.

Temperature corresponds to the BlanketTB parameter. If the blanket gas temperature is different
from the ambient, set this value appropriately. Otherwise default value of 298 K will be used.

Use blanket gas corresponds to the BlanketBoundary parameter. Check this flag to switch to
blanket gas operation for the tank.

Composition basis corresponds to the BlanketCompBasis parameter. Select this value to specify
whether the composition is mole or mass basis.

Unnormalized Composition corresponds to Mb or Wb parameter depending on the selection of
composition basis. The composition can be set in terms of component moles (Mb) or component
mass (Wb).
Tank

Heat Transfer Tab

The Heat Transfer Tab is used for setting heat transfer parameters.


Metal heat loss to ambient heat transfer coefficient corresponds to Ul parameter. It is used in the
heat transfer calculation from metal to the ambient. The default value can be used in most cases.



Tank


Feed Streams

calculation of static head correction of feed stream pressure. Default value of this parameter is 0.

Feed stream port diameter corresponds to the Di parameter. The feed port diameter is used in
determining the stream properties for reverse flow case when there is a fluid interface at the port.
Default value is 0.1, which can be used for most cases.

Tank

Product Streams

Product stream port height corresponds to the Lx parameter. The port height is used in calculation
of static head correction of product stream pressure. Default value of this parameter is 0.

in determining the stream properties for forward flow case when there is a fluid interface at the
port. Default value is 0.1, which can be used for most cases.
Tank

Internals

The Internals Tab is used for setting parameters associated with the configuration of utility
exchanger coils in Tank.

Internal Utility Exchanger Coils

Level at coil top corresponds to LCt parameter. It is used to set the height to the top of the
internal coil from Tank liquid level reference point. It should be set when a utility heat exchanger
is connected through heat streams for calculating the area fraction of immersion of the coil in the
liquid.

Level at coil bottom corresponds to LCb parameter. It is used to set the height to the bottom of
the internal coil from Tank liquid level reference point. When a utility heat exchanger is
connected through heat streams, the area fraction of immersion of the coil is calculated based on
LCt and LCb values.

Tank

Volume of tubes corresponds to VolC parameter. It is used in setting volume of the Tank
internal. For accurate Tank level calculations set the value of this parameter when a utility heat
exchanger is connected through heat streams.

Tank


The Boundary Conditions Tab is used for setting boundary conditions in Tank. They should be
used only for simulation tuning and debugging, and should not be left in place.

Boundary Condition

Boundary condition corresponds to BoundarySpec parameter. Temperature and Enthalpy can be
set. The default value of None should be used after model tuning.

Temperature and Enthalpy values correspond to Tb and Hb parameter, respectively. Either one
need to be set depending on the type of boundary condition selected.

Tank

Initialization Tab

The Initialization Tab is used for initializing the holdup based on the source to which it is
attached. The temperature, pressure, and composition of the holdup will be initialized from the
source when a load full or load increment is performed.


Source initialization object corresponds to the OInitSource parameter. The instance of the
Source object from which the Tank holdup is initialized should be specified here.

perform holdup initialization during Load Full/ Load Increment. If no Source object is specified
and Tank re-initialization flag is checked, Tank will be initialized to equi-molar composition,
ambient temperature, and pressure.
Tank

External Inputs Tab

parameters can be set through the DEW. Parameter references and equations can be attached to
these parameters. The numerical value of these parameters cannot be changed in the running
engine through DEW.


Imposed heat to fluid corresponds to the Qimp parameter. Heat can be imposed directly to the
fluid by using this parameter. The default value can be left in place when there is no external heat
input to the Tank.

Ambient Temperature
Tank

Thermo

Thermo Options

parameter, Local property option to the LocalThermoOption parameter, and Local flash option
to the LocalFlashOption. All parameters in Thermo Options default to what is specified in
Components and Thermodynamics tabs.

Phase Options

Internal Phases corresponds to the InternalPhases parameter. Use this to specify the kind of
flash performed by SIM4ME Thermo.

Tank

Notes Tab

Tank

Parameter Table

Basic
Name Description
Dft
Cls
Dft
Val
Eq
Ok
Arr Siz UOM
E
Tank Elevation
simulation
KD 0 No m
Orientation
Tank orientation
Tank orientations are: Vertical Horizontal
Vertical with Boot, Horizontal with Boot,
Spherical User Defined
KI Vertical
Dia
Tank Diameter
Inside diameter of vessel
KD 1 Yes m
Len
Tank length
Length of cylindrical section (tangent to tangent)
of vessel
KD 1 Yes m
Thk
Tank Metal thickness
Metal thickness used to calculate metal mass
KD

0.01270325
Yes m
DiaBoot
Boot diameter
Inside diameter of the boot section of the vessel.
KD 0 Yes m
LenBoot
Boot Length
Length of cylindrical section (tangent to tangent)
of boot
KD 0 Yes m
NumHeads
Number of heads
Number of vessel heads. Most vessels have two
heads. Use one head if the vessel represents part
of a larger vessel such as the base of a column.
KI

0
HeadRatio
Head ratio
Ratio of inside radius of cylindrical section to
inside head radius.
KD 0.5 Yes
Height
Height array for user defined geometry
Array of vessel height. Used with array of cross
sectional area of vessel for user-defined
geometry option of vessel orientation.
KD NULL No
User
Defined
m
Area
Area array for user defined geometry
Array of cross sectional area of vessel. Used
with array of vessel height for user-defined
geometry option of vessel orientation.
KD NULL No
User
Defined
m2

Tank

Blanket Boundary
Name Description
Dft
Cls
Dft Val
Eq
Ok
Arr
Siz
UOM
BlanketBoundary
Use blanket gas
Flag to use blanket gas
If BlanketBoundary is not used,
the Tank cannot empty lower than
the top of the highest port.
If BlanketBoundary is used,
it will fill the space above
liquid level, as the tank empties
KI 0 No
BlanketCompBasis
Boundary pressure
Blanket gas composition basis
specification. Allowable values
are MOLE and MASS.
When the option Mole is selected,
the composition is specified in
terms of mole fraction or actual
component moles.
When the option Mass is used the
composition is specified in terms
of mass fraction or actual
component mass.
KI MOLE No
BlanketMb
Unnormalized molar composition
Mole numbers for each
component. These values are
normalized to calculate the
blanket gas mole fractions Z.
KD 0 Yes COMPSLATE
kg-
mol
BlanketWb
Unnormalized mass composition
Mass numbers for each
component. These values are
normalized to calculate the
blanket boundary mole fractions
Z.
KD 0 Yes COMPSLATEkg
BlanketTb
Blanket boundary temperature
Blanket Boundary temperature
must be specified
KD TAMBIENTYes K
BlanketPb
Blanket boundary pressure
Blanket Boundary pressure
Must be specified
KD 101.3 Yes kPa

Tank

Heat Transfer
Name Description
Dft
Cls
Dft
Val
Eq
Ok
Arr Siz UOM
Ul
Ambient loss heat transfer
coefficient
Heat transfer coefficient from
metal to ambient
KD 0.01 Yes kW/m2-K
Un
Natural convection heat transfer
coefficient
Natural convection heat transfer
(film) coefficient from fluid to
metal. There is no forced
convection modeled in the Tank
KD 0.10 Yes kW/m2-K

Internals
Name Description
Dft
Cls
Dft
Val
Eq
Ok
Arr Siz UOM
LCb
For Vertical and Horizontal
vessels it is assumed that coils
are contained within the
cylindrical part of the vessel.
This height is subject to change
so that it conforms to the vessel
geometry constraints. If LCb is
not initialized, default is bottom
of vessel.
KD
NUL
L
No m
LCt
Level at coil top
For Vertical and Horizontal
vessels it is assumed that coils
are contained within the
cylindrical part of the vessel.
This height is subject to change
so that it conforms to the vessel
geometry constraints. If LCt is
not initialized, default is top of
vessel.
KD
NUL
L
No m
VolC
Volume of internals
Volume of internal components
KD 0 No m3

Tank

Boundary Conditions
Name Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
BoundarySpec
Boundary Conditions
Use Boundary specifications while tuning a
simulation to reach the steady state faster.
Allowable options are
0 = NONE
1 = H
2 = T
Setting temperature or enthalpy boundary
conditions will result in an energy imbalance.
KI NONE No
Tb
Use only for simulation tuning. The equipment will
not maintain an energy balance if a boundary
temperature is set.
KD Yes K
Hb
Boundary enthalpy
Use only for simulation tuning. The equipment will
not maintain material balance if a boundary
enthalpy is set.
KD Yes
kJ/kg-
mol

Initialization
Name Description
Dft
Cls
Dft
Val
Eq
Ok
Arr Siz UOM
ReInitFlag
Initialize holdup flag
The vessel will reinitialize from
a Source model if one is
specified. If not, the vessel will
use an arbitrary composition
based on an even distribution
of components. Midpoint
levels will be used if an initial
L or L2 is not provided
KB 1 No
OInitSource

If OInitSource is specified, the
vessel, mass, and energy will
be initialized from the
specified, Source model. The
Source should have the same
Internal and External Phases
specification as the vessel
OBJECTNULL

Tank

External Inputs
Name Description
Dft
Cls
Dft
Val
Eq
Ok
Arr Siz UOM
Qimp

External heat imposed on the
fluid
DD 0 Yes kJ/sec
Tamb
Ambient temperature
Ambient temperature. Normally
associated with global
standalone point TAMBIENT
DD
TAMB
IENT
Yes K

Nozzles
Name Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Li
bottom most part of the vessel
KD 0 No
User
defined
m
Di
pass. It is only used for reverse flow
KD 0.1 No
User
defined
m
Lx
This is an array of nozzle heights that corresponds to the,
array of product streams. The height is relative to the,
bottom most part of the vessel
KD 0 No
User
defined
m
Dx
pass
KD 0.1 No
User
defined
M

Advanced
Name Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Kover
Overflow Coefficient
The Tank will overflow its contents onto the ground if
the level exceeds the tank height.
KD 1 Yes 1/sec
Kvent
Vent flow coefficient
The tank will vent vapors from holdup at a rate
proportional to the vent flow coefficient.
KD 1 Yes 1/sec
KLag
Used to dampen dynamic response. Can result in the
loss or creation of mass and energy. Should not be
used for engineering studies
KD 1 Yes fraction
KDPS
Explicit incompressible derivative tuning factor
Used to dampen dynamic response for
KD 1 Yes fraction
Tank

Name Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
EXPLICIT integration solution when
INCOMPRESSIBLE or liquid filled
DEBUGFLAGS
Vessel debug flags
This parameter is a collection of binary flags
Each equipment model interprets the flags its own
way.
KI 0 No
DEBUG
FLAGSTEXT
Vessel debug flags (text form)
The flags are specified as a list of indices into the
binary flag array.
Valid delimiters: Comma, space, vertical bar, tab.
Example: 4,7,0

Calculated Values
Name Description
Dft
Cls
Dft
Val
Eq
Ok
Arr Siz UOM
Ql
indicates that the metal is losing heat to the
surroundings.
DD0 No kJ/sec
Qf
Heat loss from fluid to metal. A negative value indicates
that the fluid is losing heat to the metal.
DD0 No kJ/sec
Mm
Metal Mass
Vessel mass calculated from vessel geometry and metal
density.
KD0 No kg
MT
Total molar holdup
Total holdup moles in the Tank for all components and
phases.
DD0 No
kg-
mole
L
Hydrocarbon phase level
Absolute level of the first liquid phase from bottom of
vessel. If there is a boot, this is the level from the
bottom of the boot.
DD-1 No m
L2
Aqueous phase level
Absolute level of the second liquid phase from bottom of
vessel. If there is a boot, this is the level from the
bottom of the boot.
DD-1 No m
Lfrac Fractional level of liquid phase 1 DD0 No fraction
L2frac Fractional level of liquid 2 phase DD0 No fraction
LFVol Fractional volume of total liquid DD0 No fraction
Vol Vol KD1 No m3
Fover
Overflow rate
Tank over flow rate. Assumes a vertical vessel without
Heads for calculating overflow
DD0 No
kg-
mol/sec
Fvent Vent flow rate DD0 No kg-
Tank

Name Description
Dft
Cls
Dft
Val
Eq
Ok
Arr Siz UOM
Vent flow rate is proportional to the vent flow
coefficient.
mol/sec
SArea
Surface Area
Surface area of the vessel. This value is calculated.
KD1 Yes mP
2
P

Derivatives
Name Description
Dft
Cls
Dft
Val
Eq
Ok
Arr Siz UOM
dM
Total composition derivative. A non zero value
indicates the inlet composition is changing.
DD 0 No COMPSLATE
kg-
mol/sec
dTm
Metal temperature derivative
Derivative of metal temperature. A positive value
indicates that the metal is getting hotter.
DD 0 No K/sec
dUt
Derivative of Tank internal energy calculated
from the flowing enthalpy of all streams
connected to the, fluid heat stream duty, and heat
loss to metal
DD 0 No kJ/sec

States
Name Description
Dft
Cls
Dft
Val
Eq
Ok
Arr Siz UOM
P
Pressure
Pressure is set as a boundary and not
calculated
SD 101.3 No kPa
Tm Metal Temperature SD 298 No K
M
Array of Total component Molar holdup
Array that includes the total holdup moles
of each component
SD 0 No

COMPSLATE
kg-
mole
Ut
Total internal energy state for Tank.
SD 0 No kJ

Topology
Name Description
Dft
Cls
Dft
Val
Eq
Ok
Arr Siz UOM
OFeedStream
Feed Stream
Tank feed stream. It can be connected only from flow
devices. Identifies the feed, or inlet, stream and its
associated fluid properties. This entry must be unique
to all other feed streams in the flowsheet. However,
this entry can be the same as a product stream
identifier from another unit. OFEEDSTREAM and
OPRODSTREAM cannot be the same. Any number
feed stream can be connected to the pressure node.

Tank

Name Description
Dft
Cls
Dft
Val
Eq
Ok
Arr Siz UOM
OProdStream
Product Stream
Tank product stream. Can be connected to only flow
devices. Identifies the product, or outlet, stream and
its associated fluid properties. This entry must be
unique to all other product streams in the flowsheet.
However, this entry can be the same as a feed stream
identifier to another flow device. OFEEDSTREAM
and OPRODSTREAM cannot be the same. Any
number of product stream can be connected from the
pressure node.

OFeedFluid
HeatStream
Fluid heat streams
Array of object references to heat streams connected
to the fluid of the Tank. Any number of heat streams
can be connected. This entry must be unique and can
be connected from a Utility heat exchanger only.

OFeedMetal
HeatStream
Metal heat streams
Array of object references to heat streams connected
to the metal wall of the Tank. Any number of heat
streams can be connected.

User
specified

Legend:
KB - Static Boolean
KI - Static Integer
KF - Static Float
KD - Static Double

SB - State Boolean
SI - State Integer
SF - State Float
SD - State Double

DF - Dynamic Float
DD - Dynamic Double

not a vector.

reaction submodel.
Tank

FAQ

Q. What is the difference between Tank and Drum or Separator?

A. The Tank model does not perform vapor liquid equilibrium. Instead, it performs a liquid only
flash.

Q. Why is the Tank not emptying below a certain level in some cases?

A. Tank cannot be emptied below the highest port level, in absence of blanket gas. If it needs to
be emptied completely, a blanket boundary needs to be specified with pressure, temperature, and
composition of the blanket gas. Then select the use blanket gas option from OEV or DEW.

Q. What happens to the vapor formed in the tank from holdup?

A. Vapor formed within the tank from the holdup is vented out. The rate of venting out can be
tuned from the parameter KVent ( vent flow coefficient ). Note that vent is done only for vapor
formed from the holdup and not applicable for blanket gas.
Tower

Tower

Introduction

A Tower model can be used to model distillation towers and fractionators. A Tower unit consists
of multiple Stage, Plate and Weir submodels and all sub-models are connected with internal
streams. Please refer to figure in the Fundamentals section.

The Tower model supersedes the Column model. A Tower model considers the total holdup on
each stage to have both liquid and vapor phases where as the Column model considers only liquid
holdup to be present in each stage and the vapor holdup to be present on the top. The Tower
model is more accurate during transients. The Tower model should be used for relief load
calculations.

A stage is a submodel that represents an equilibrium stage within a Tower. A minimum of one
stage with sump or one stage with external base equipment must be present in the Tower.
However, an industrial Tower will have higher number of stages. The stages are linked with the
vapor from the next lower stage and liquid from the next higher stage. The stages are numbered
starting at the top stage as number one and increasing as you go down the Tower. Each stage
includes liquid and vapor holdups to model the liquid and vapor inventories of the stage.

Tower uses a theoretical stage approach with an adjustment for liquid and vapor holdups based on
the ratio of actual stages to modeled stages. This factor adjusts the liquid and vapor holdups on
each stage.

Stages may also represent packed stages. For a packed stage, each stage represents a single
equilibrium stage. The height of the stage should represent the height of a theoretical packed
transfer unit.

Reactions can also be modeled. Though reactions typically occur with packed sections of a tower,
reactions can be added to plate stages as well.

Multiple feeds and products can be connected to any stage, for both plate and packed. Products
from stages are optional but the top stage should have a vapor product and the bottom stage
should have a liquid product.

The Tower model includes only the cylindrical section of a distillation tower. All peripheral
equipment such as condensers, reboilers, accumulators, sidestrippers must be modeled with
separate equipment models.

The bottom stage of a Tower model can be used to simulate a bottom sump. The internal sump
includes vapor and liquid holdups. If the sump includes a partition, use a Separator to model the
sump.

The Tower model accounts for heat transfer from fluid to the metal and metal to surroundings. It
permits heat transfer from external sources directly to the metal or fluid through heat streams. The
heat streams can be connected to any stages liquid and vapor holdups.
Tower

Fundamentals

Topology

The Tower model includes Stage, Plate, and Weir submodels. A Stage is a pressure node device
where as the Plate and Weir are flow devices. A Weir submodel is used to handle liquid flow to
the tray below and a Plate submodel is used to simulate vapor flow from the tray below. The
Tower model can also be used for simulating a packed bed.

Tower

Holdup Calculations

The stage holdup is modeled by using the following dynamic equations for mass and energy
balance:

( ) ( )
( ) ( )
T
T
T
Components
T
fh f imp Tray Tray TrayBelow TrayBelow Tray Tray
TrayAbove TrayAbove
oduct
Streams
r r f f
Feed
Streams
r r f f T
Tray Tray TrayBelow TrayBelow Tray Tray
oduct
Streams
TrayAbove TrayAbove r r f f
Feed
Streams
r r f f
M
U
U
Vol
M
R
M M
Q Q Q Hv Fv Hv Fv Hl Fl
Hl Fl H F H F H F H F U
dt
d
Y Fv y Fv x Fl
X Fl Z F Z F Z F Z F M
dt
d
=
=
=
+ + + +
+ =
+
+ =

Pr
Pr

where:
FB
f
B- Forward flow (kg-mol/sec)
FlB
Stage
B- Liquid flow from the stage (kg-mol/sec)
FlB
StageAbove
B- Liquid flow from stage above (kg-mol/sec)
FB
r
B- Reverse flow (kg-mol/sec)
FvB
StageBelow
B- Vapor flow from stage below (kg-mol/sec)
H - Mole enthalpy (kJ/kg-mol)
HB
f
B - Forward flow liquid enthalpy (kJ/kg-mol)
HlB
Stage
B- Enthalpy of liquid from stage (kJ/kg-mol)
HlB
StageAbove
B - Enthalpy of liquid from stage above (kJ/kg-mol)
HB
r
B - Reverse flow liquid enthalpy (kJ/kg-mol)
UB
T
B - Total holdup internal energy (kJ)
HvB
Stage
B- Enthalpy of vapor from stage (kJ/kg-mol)
HvB
StageBelow
B- Enthalpy of vapor from stage below (kJ/kg-mol)
MB
T
QB
f
B - Heat loss to metal from stage (kJ/sec)
QB
fh
B - Heat from fluid heat stream (kJ/sec)
QB
imp
B - Imposed heat to the stage (kJ/sec)
R - Mixed density of the stage holdup (kg-mol / m3)
Vol - Holdup volume (m3)
XB
Stage
B- Liquid mole fraction component vector from stage (fraction)
XB
StageAbove
B - Liquid mole fraction component vector from stage above (fraction)
Tower

YB
StageBelow
B- Vapor mole fraction component vector from stage below (fraction)
ZB
f
ZB
r

A Density-Internal Energy flash (RU flash) is then performed for the holdup.

Geometry

The internal stage diameter (Dia) is used in the calculation of the plate total area

4
2
Dia
Area Total Plate

=

where:
Dia - Internal stage diameter (m)

The downcomer area fraction is used to calculate the plate active area, which is in turn used in the

) 1 ( reaFrac DownComerA Area Total Plate Area Active Plate =
where:
DownComerAreaFrac - Downcomer area (fraction)

Downcomer Area Fraction is fixed depending on the number of passes. It takes the value of 0.1,
0.2 and 0.3 for one, two and four passes, respectively. The user can set this value by selecting the
passes as Other.

Hole Area Fraction is the fraction of active plate area and is used to calculate the vapor flow.

action HoleAreaFr Area Active Plate Area Hole Effective =

The parameter HoldupFactor allows Dynsim to use the correct number of theoretical stages while
calculating the correct liquid and vapor holdup in the Tower by adjusting the liquid level
accordingly. The stage liquid level is calculated from the area and the liquid holdup based on the
ratio of actual stages to modeled stages.

ctor AerationFa eArea PlateActiv R
M
L
or HoldupFact M M
tL
scaled tL tL

=
= /
,

where:
L -Stage liquid level (m)
MB
tL
B -Total moles in the liquid holdup (kg-mol)
MB
TL,scaled
B -Total moles in the liquid holdup adjusted by HoldupFactor (kg-mol)
R -Liquid holdup mole density (kg-mol/mP
3
P)
HoldupFactor -Ratio of actual stages to modeled stages (dimensionless)
AerationFactorB

B-B


Tower

For packed stages, the following equation is used such that L is a convenient measure of liquid
holdup.
ctor AerationFa Void Area R
M
L
tL

=

where:
Area - Stage area (mP
2
P)
Void - Void fraction of the packed bed (dimensionless)

Flow Calculation

Tray Vapor

The vapor flow from one stage to another is calculated as

v
v vap
hole Active v
R
MW P
A A KJ F

= 50 6 . 0
where:
AB
active
B-B

BActive stage area (mP
2
P)
AB
hole
B- Fraction of hole area (fraction)
PB
vap
B - Pressure drop from vapor flow (kPa)
FvB

B-B

BVapor flow (kg-mol/sec)
MWB
v
B - Vapor molecular weight (kg/kg-mol)
KJ -B

RB
v
B- Vapor density (kg-mol/m3)

KJ has a default value of one. It can be changed to tune the pressure drop across each stage.

Tray Liquid

For traditional plate trays, the Francis Weir formula is used for liquid flow over the weir
calculation:

l l fraction length weir weir
MW R Dia L WeirHeight L F =
5 . 1
) ( 845 . 1

where:
DiaB

B-Stage diameter (m)
FB
weir
B-B

BLiquid flow over the weir (kg-mol/sec)
LB

B-Liquid level (m)
WeirHeightB

B-Weir height (m)
LB
weir length fraction
B-Weir length fraction of stage diameter (fraction)
MWB
l
B -Liquid molecular weight (kg/kg-mol)
RB
l
B-Liquid density (kg-mol/m3)

Weir length fraction is the fraction of the stage diameter and is used in the liquid flow
calculations through the weir. This value is fixed depending on the number of passes. It takes the
Tower

value of 0.6, 1.0 and 1.6 for One, Two and Four passes respectively. The user can set this value
by selecting the passes as Other.

The liquid weep flow occurs when the vapor flow from the stage below is less than a fixed value
known as "Weep Vapor Flow. The following equation is applied for the weep flow calculation:

L DrainFrac KJ
F
F
F
weep
vap
drain
= )) 1 , 0 , ( LIM01 . 1 (

where:
DrainFracB
-
BFraction of hole area available for liquid draining (fraction)
FB
weep -
BWeep vapor flow (kg-mol/sec)
FB
vap -
BVapor flow through the stage (kg-mol/sec)
LB
-
BLiquid level (m)
KJB
-
LIM01 B
-
BLimit function to constrain the value between zero and one
FB
drain -
BWeep liquid flow (kg-mol/sec)

Packing Liquid

For packed stages, the StichlmairP
1
P correlation is used for calculating flow through packings:

L L L
L L
L
L
R Area Vel F
g MW R PackHeight
P
KBeta
Beta
PackArea
Void g
Vel
Area PackHeight R
VF Flash M
Beta
=

+
=

=
2
3
2
65 . 4
. . .
20 1
.
42 . 2
) . 1 (

where:
FB
L
B- Liquid flow rate to the stage below (kg-mol/sec)P
VelB
L
B- Superficial liquid velocity (m/sec)P
Area - Total cross sectional area of the tower at this stage (mP
2
P)
Void - Void fraction of the packed bed (fraction)P
RB
L
B- Density of the liquid (kg-mol/m3)
MWB
L
B- Molecular weight of liquid (dimensionless)B
g - Gravitational constant (m/secP
2
P)
Beta - Liquid holdup (fraction)B
P - Pressure drop across the packed stage (kPa)
PackHeight - Height of the packed stage (m)

Tower

Packing Vapor

Flow through a packed bed is calculated using Stichlmair correlation. Coefficients for Stichlmair
correlation are required. If appropriate parameters are not available, use the default values of C1,
C2, and C3 and tune pressure drop with the conductance factor KJ.

( )
65 . 4
3
2
2
65 . 4
0
2
0
5 . 0
2 1
3
5 . 0
2 1
0
1 .
1
1 1
.
1
4
3
. 1000
1
Re . 2 Re
Re Re
. . . . 1000
Re
.
1 6

=
+ + =
=
=

=
Void
Beta
Void
Void
Beta
Void
P P
U
Dia
PackHeight
R
Void
Void
f
KJ
P
f
C C
c
C
C C
f
ViscV
MW R U Dia
A R
F
U
PackArea
Void
Dia
c
d
V
p
g d
V V
V V
v V v p
v
v
v
v
p

where:
diaB
p
B- Equivalent particle diameter (m)
Void - Bed void fraction (porosity) (fraction)
UB
V
B- Superficial gas velocity through the packed bed
FB
v
B- Vapor Flow Rate (kg-mol/sec)
RB
v
B- Density of vapor (kg-mol/mP
3
P)
A - Cross sectional area of the tower (mP
2
P)
ReB
v
B- Reynolds number for the gas
ViscV - Viscosity of vapor (cp)
fB
0
B- Friction factor for flow past a single particle
C1, C2, C3 - Coefficients for Stichlmair correlation
PB
d
B- Pressure drop through an unirrigated (dry) bed (kPa)
RB
V
B- Density of gas (kg/mP
3
P)
PackHeight - Height of the packed bed (m)
P - Pressure drop through an irrigated bed (kPa)
Beta - Liquid hold-up in a packed bed (fraction)
c - Exponent in the equation above
KJ - Conductance Factor to adjust pressure drop (dimensionless)

Tower

Stichlmair Coefficients (C1, C2, C3), Specific Surface Area and Void Fraction for commonly
used packings are available in Appendix
Packing Type/size a
(1/m)
void
( - )
CB
1
B CB
2
B CB
3
B
Structured packing:
Montz B1 300 300 0.97 2 3 0.9
B1 200 200 0.98 2 4 1.0
B1 100 100 0.99 3 7 1.0
Gempack 2A 394 0.92 3 2.4 0.31
3A 262 0.93 3 2.3 0.28
Sulzer Mellapak 250Y
(plastic)
250 0.85 1 1 0.32
Mellapak 250Y
(metal)
250 0.96 5 3 0.45
BX-packing 450 0.86 15 2 0.35
Raschig Rings 10 472 0.665 48 8 2.0
10 327 0.657 10 8 1.8
15 314 0.676 48 10 2.3
15 264 0.698 48 8 2.0
30 137 0.775 48 8 2.0
35 126 0.773 48 8 2.15
Pall Rings 25 192 0.742 10 3 1.2
25 219 0.74 1 4 1.0
35 139 0.773 33 7 1.4
35 165 0.76 1 6 1.1
Reflux Rings 50 120 0.78 75 15 1.6
Hiflow Rings 20 291 0.75 10 5 1.1
Berl Saddles 15 300 0.561 32 6 0.9
35 133 0.75 33 14 1.0
Intalox Saddles 20 300 0.672 30 6 1.4
25 183 0.732 32 7 1.0
35 135 0.76 30 6 1.2
Torus Saddles 25 255 0.73 19 1 0.85
50 120 0.75 10 8 0.75
Dumped metal packings:
Raschig Rings 12 416 0.94 60 1 7.5
15 317 0.924 40 1 6
Pall Rings 25 215 0.94 0.05 1 3
35 130 0.95 0.1 0.1 2.1
Bialecki Rings 25 225 0.94 50 7 2.5
Nutter Rings 50 96.5 0.978 1 1 2.65
Cascade Mini Rings 25 230 0.96 -2 -2 2
Supersaddles 25 165 0.978 1 1.6 2.1
Pall Rings 90 71 0.95 -5 -4 2.3
NSW-Rings 25 180 0.927 1 1 1.35
Leva 1 190 0.92 1 1 2.0
2 143 0.94 1 1 2.3
Tower

1.Stichlmair, J., Bravo, J.L. and Fair, J.R. , General model for prediction of pressure drop and
capacity of countercurrent gas/liquid packed towers, Gas Separation & Purification, Vol. 3
(March, 1989), pp. 19-28

Pressure Calculations

The pressure of each stage will be determined by the compressible holdup calculations. The
pressure drop is the combination of the pressure drops from the liquid head and vapor flow. The
equation for liquid static head includes a factor for aeration (frothing) on the stage.

l l liq
MW R ctor AerationFa L g P =

where:
AerationFactor -B

PB
liq
B - Delta pressure from liquid static head (kPa)
gB

B - Acceleration due to gravity (m/sec2)
L - Liquid level (m)
MWB
l
B - Liquid molecular weight in (kg/kg-mol)
RB
l
B- Liquid density (kg-mol/m3)

Flash Calculations

The holdup submodel contains only one flash. A density-internal energy flash will be conducted
at the beginning of every time step.

Phase Separation and Level Calculations

Each stage of the Tower makes use of the InternalPhases and ExternalPhases to determine the
type of separation it performs.

InternalPhases of the flash object can be VLE, Free Water, VLLE, or Decant. ExternalPhases can
be TWO. Although InternalPhases can be Free Water, VLLE, or Decant, the liquid phases will be
mixed. Therefore, the Liquid 2 level will be always zero.

The liquid level calculations are independent for each stage. The bottom of each stage
corresponds to the reference zero level. The liquid level are calculated based on this reference
level. The maximum liquid level in any stage is limited to the stage spacing.


Holdup initialization for Tower is available. Please refer to Base Equipment Fundamentals
section on Holdup Initialization.

Tower


The general feed and product ports are used to configure feed and product streams for the stage.
The port location is always with reference to the base of the stage. The maximum height of the
port location is limited to stage spacing. The streams from these ports can be connected only to
flow devices.

Apart from the regular feed and product ports, Tower has a set of special ports to handle vapor
products from top stage, liquid products from bottom stage as well. The ports for liquid products
from the bottom stage are also at the zero reference point to the Tower. The ports for vapor
products from the top stage are at the top of the top stage (stage number 1).


Heat Transfer

Each stage has heat transfer from the holdup to the stage metal and from the stage metal to the
surroundings. Please refer to the Base Equipment Fundamentals section for more details on heat
transfer calculations.

Heat Streams

streams. The fluid and metal heat streams are configured on a stage-to-stage basis. These heat
streams should originate from any source that performs heat transfer calculations and sets Q in
the heat stream, such as Utility Exchanger. Any number of heat streams can be connected.

Tower supports external heat input directly to the stage fluid through the parameter QB
imp.
B
The external heat input is set on a stage-by-stage basis.

Stage Efficiencies

At an efficiency value of one, stage is at thermodynamic equilibrium. All of feeds and holdup on
the stage are well mixed and flashed. To simulate a non-equilibrium system, the efficiency allows
a fraction of the vapor from stage below, and a port of vapor holdup to bypass the flash. Vapor
from flash and bypassing vapor from stage below directly mix with existing vapor holdup. Liquid
from flash remains in liquid holdup. At an efficiency value of 0.75, 75% of vapor from stage
below, 75% of vapor from vapor holdup, and all other feeds are mixed with liquid holdup and
flashed. The rest of 25% vapor bypasses the flash and directly mixes with vapor holdup.
Tower

Example

The following example shows the configuration of a sour water stripper with a level and pressure
PID controller. Ammonia and hydrogen sulfide are stripped from sour water using steam in a
stripper with 7 stages. It is desired to maintain the tower pressure at 143.4kPa and sump level at
0.25m. The desired pressure drop across the tower is 5 kPa at steady state.

The InternalPhases is set to VLE and the ExternalPhases to Two, as there is only two-phase
separation in the Tower. We assume that all stages are identical, so that the data can be provided
on a global basis. The number of passes is set to one as strippers generally have single pass
stages. The stage geometry parameters can be obtained from the equipment datasheet. Weeping
will occur in stages when the vapor flow is less than 0.0025kg-mol/sec, so the weep vapor flow is
set to this value.

The sour water feed to the stripper is to the top stage and the port location is above the weir.
Hence, the sour water feed stage is one and the port height is 0.1 m. Steam is fed to the stripper to
the bottom stage and the port location is at the base of the stage. Hence, the steam feed stage is 7
and the port height is 0. The stripped sour water is drawn from the bottom stage and the port
location is at the base of the stage. Hence, the sour water product stage is 7 and the port height is
0. Steam with HB
2
BS and ammonia are leaving the stripper from the top. The steam product stream
can be connected to the normal port at maximum height. Hence, the steam product stage is one
and the height is 0.67, which corresponds to the stage spacing. A level PID controller (LC1)
controls the bottom stage level, so C1.Stage7.L is set as PV to the PID controller. The tower top
pressure is controlled using a pressure PID controller (PC1), so C1.P is set as PV to the PID
controller.

The desired pressure drop across the tower is 5 kPa, so the flow conductance factor is tuned to a
value of 0.85. The vapor holdup will have conditions similar to the stripping steam, so the vapor
holdup is initialized to the source Steam. The stage liquid holdup will have conditions similar
to the sour water, so the stage liquid holdup is initialized to the source SourWater.

Tower

SOURCE: SourWater
OProdStream[0] S1
Source product stream to the valve
XV1
Z[N2] 0.000048 fraction Boundary composition
Z[METHANE] 0.000125 fraction Boundary composition
Z[H2S] 0.015699 fraction Boundary composition
Z[NH3] 0.031898 fraction Boundary composition
Z[CO2] 0.000076 fraction Boundary composition
Z[HEXANE] 0.000005 fraction Boundary composition
Z[NONANE] 0.000002 fraction Boundary composition
Z[H2O] 0.952146 fraction Boundary composition

VALVE: XV1
OFeedStream S1
SourWater
OProdStream S2 Valve product stream to Tower C1
Op FC1.OUT fraction
to the Valve open command

PID: FC1
PV S1.F kg-mol/sec
the PID controller

SOURCE: Steam
OProdStream[0] S3
XV2
Z[N2] 0 fraction Boundary composition
Z[METHANE] 0 fraction Boundary composition
Z[H2S] 0 fraction Boundary composition
Z[NH3] 0 fraction Boundary composition
Z[CO2] 0 fraction Boundary composition
Z[HEXANE] 0 fraction Boundary composition
Z[NONANE] 0 fraction Boundary composition
Z[H2O] 1 fraction Boundary composition
E 10 m Elevation of the Source
Tower

VALVE: XV2
OFeedStream S3
Steam
OProdStream S4 Valve product stream to Tower C1
Cv 100 Cv Valve Cv
Op FC2.OUT fraction

PID: FC2
PV S3.F kg-mol/sec
the PID controller

TOWER: C1
NSection 1 Number of sections
NStage 7 Number of stages
StartStage[0] 1 Starting stage number
Dia[0] 0.75 m Stage diameter
Passes[0] ONE Number of passes
KJ[0]
0.85 Conductance factor for tuning vapor
pressure drop
WeepVapFlow[0] 0.0025 kg-mol/sec Threshold value of vapor flow
below which the liquid starts to
drain from the stage
FeedStage[0] 1 Sour water feed stage number
FeedStage[1] 7 Steam feed stage number
Li[0] 0.1 m Sour water feed stream port height
Li[1] 0.0 m Steam feed stream port height
ProdStage[0] 1 Stripped sour water product stage
number
ProdStage[1] 7 Steam product stage number
Lx[0] 0.67 m Steam product stream port height
Lx[1]
0.0 m Sour water product stream port
height
OInitVaporSource Steam Source to which Tower vapor
holdup is initialized
OInitSource SourWater Source to which stage liquid holdup
is initialized.
InternalPhases VLE InternalPhases
ExternalPhases TWO ExternalPhases
Tower

VALVE: XV3
OFeedStream S5 Valve feed stream from Tower C1
Op PC1.OUT fraction
Pressure PID controller output
attached to the Valve open
command.

PID: PC1
PV C1.P kPa
Tower top pressure set as PV to the
PID controller
SP 143.4 kPa
controller

SINK: SNK1

VALVE: XV4
OFeedStream S7 Valve feed stream from Tower C1
Op LC1.OUT fraction

PID: LC1
PV C1.TRAY7.L m
Tower stage 7 level set as PV to the
PID controller

SINK: SNK2

Tower



Number of stages corresponds to the NStage parameter. Enter the number of theoretical stages.
NStage does not include Sump.

Tower

Basic Tab

Number of sections corresponds to the NSection parameter. Enter the number of stage sections.
NSection does not include Sump.

Section Parameters

Parameters that are shared by both Tray and Packing are listed in this section.

Start Stage corresponds to the StartStage parameter. This is used to define the starting stage
number for each stage section.

Tower

Type corresponds to StageType parameter. Select Plate if the stage happens to be a Plate type.
Select Pack if the stage happens to be a packed bed.

Stage diameter corresponds to the Dia parameter. This value can be obtained from the equipment
datasheet.

Efficiency corresponds to the StageEff parameter. Stage efficiency defines the fraction of vapor
through the stage from the stage below. The rest of vapor will bypass the flash calculation and
feed to vapor phase.

Conductance Factor corresponds to the KJ parameter, which is used in the pressure drop
calculations due to vapor flow. The default value is 1. This value can be used to tune the pressure
drop due to vapor flow across the stage.

Holdup Factor corresponds to the HoldupFactor parameter. It is defined as the ratio of number
of actual stages to number of modeled stages. This parameter is used to maintain proper holdup
calculations for the entire tower when the tower is modeled with number of theoretical stages
rather than number of actual stages. Holdup factor is used to scale up the holdups and other data
to match the dynamic response to the actual tower. Using the theoretical stages approach, the
computation load can be significantly reduced while still maintaining the separation accuracy.
This parameter should not be confused with the stage efficiency.

Sump Parameters

Sump corresponds to the SumpFlag parameter used to activate/deactivate the sump model in the
tower. By default, the tower model includes the sump model.

Sump Diameter corresponds to the Dia[Sump] parameter. This value can be obtained from the
equipment datasheet.

Sump Spacing corresponds to the Spacing[Sump] parameter. This value can be obtained from
the equipment datasheet.

Tray Parameters

Tray spacing corresponds to the Spacing parameter. This value can be obtained from the

Weir height corresponds to the WeirHeight parameter. This value can be obtained from the

Number of passes corresponds to the Passes parameter. One, Two or Four passes can be set.
When the option Other is chosen the user will have to set the Weir length fraction and
Downcomer area fraction. Default option is One pass.

Hole area fraction corresponds to the HoleAreaFrac parameter. It is used in the pressure drop
due to vapor flow calculations. The default value is 0.12, which can be used in most cases.

Weep vapor flow corresponds to the WeepVaporFlow parameter which represents threshold
value of the vapor flow below which liquid starts to drain from the stage. The default value is
0.01 kg-mol/sec.
Tower

Drain Fraction (hole area available for liquid draining) corresponds to the DrainFrac parameter.
It should always be less than or equal to the hole area fraction. The default value of 0.01 is for
valve trays with some leakage.

Downcomer Area Fraction corresponds to the DowncomerAreaFrac. Downcomer Area Fraction
is fixed depending on the number of passes. It takes the value of 0.1, 0.2 and 0.3 for One, Two
and Four passes, respectively. The user can set this value by selecting the passes as Other.

Weir Length Fraction corresponds to the WeirLengthFrac. Weir Length Fraction is fixed
depending on the number of passes. It takes the value of 0.6, 1, and 1.6 for One, Two and Four
passes, respectively. The user can set this value by selecting the passes as Other.

Packing Parameters

Stage Height corresponds to the Spacing parameter. This value can be obtained from the
equipment datasheet.

Specific Surface Area corresponds to the AreaPack parameter. Specific surface area is the
surface area per unit of packing volume.

Void Fraction corresponds to the Void parameter. Void fraction is the empty volume per unit
volume of the packed bed.

Stichlmair Correlation C1 corresponds to the C1 parameter. The default value 48 is for Raschig
Rings of size 10. User must supply correct value based on the type of packing. Please refer to the
table in the Flow Calculation section of this document which provides values for these
coefficients for most commonly used packings.

table in the Flow Calculation section of this document which provides values for these
coefficients for most commonly used packings.

table in the Flow Calculation of this document which provides values for these coefficients for

Tower Elevation

Elevation of the Tower bottom corresponds to the E parameter. It is the elevation of the Tower
with respect to the reference ground level. This value is used in the static head correction of the
feed and product stream pressures. The elevation of the stage above is calculated by summing
stage elevation and spacing.

Tower

Heat Transfer Tab





Metal Mass

Total Tower metal mass corresponds to the Mm parameter. It is used in the metal temperature
dynamic calculations. Small values can result in instability in the Tower.
Tower

Feeds Tab

Feed Streams

calculation of static head correction of feed stream pressure. The port height of the stream is
specified with respect to the bottom of stage and maximum port height is limited to the stage
spacing. The feed port is generally located above the stage weir. Default value of the port height
is 0. User may have to set this value for desired results.

The default value is 0.05 m is applicable for most cases.

Tower

Products Tab

Product Streams

Product stream port height corresponds to the Lx parameter. The product port height is used in
calculation of static head correction of product stream pressure. The port height of the stream is
specified with respect to the bottom of the stage and maximum port height is limited to the stage
spacing. Default value of the port height is 0 and is applicable for most cases.

to determine the stream properties for forward flow when there is a fluid interface at the port. The
default value is 0.05m.
Tower

Heat Streams Tab

Feed Fluid Heat Stream

Feed fluid heat stream corresponds to the OFeedFluidHeatStream parameter. The list of all the
fluid heat streams connected to the Tower will be displayed in the stream array. The user should
select the stage to which each of the heat streams is configured by selecting the stage number
from the stage array (FluidHeatTray).

Feed Metal Heat Stream

Feed metal heat stream corresponds to the OFeedMetalHeatStream parameter. The list of all the
metal heat streams connected to the Tower will be displayed in the stream array. The user should
select the stage to which each of the heat streams is configured by selecting the stage number
from the stage array (MetalHeatTray).

Tower

Initialization Tab

attached. The temperature, pressure and composition of the holdup will be initialized from the
Source when a load full is performed.


Source initialization object for vapor holdup corresponds to the OInitVaporSource parameter.
The instance of the Source object from which the Tower vapor holdup is initialized should be
specified here.

Reinitialize vapor holdup during Load Full corresponds to the ReInitVaporFlag parameter.
Check this flag to perform vapor holdup initialization during Load Full. If no Source object is
specified and ReInitFlag is checked, vapor holdup will be initialized to equimolar composition,
standard temperature and pressure.

Tower

Source initialization object for the stage liquid holdup corresponds to the OInitSource parameter.
The instance of the Source object from which the stage liquid holdup is initialized should be
specified here.

Reinitialize stage holdup during Load Full corresponds to the ReInitFlag parameter. Check this
flag to perform holdup initialization during Load Full. If no Source object is specified and re-
initialization flag is checked, stage holdup will be initialized to equimolar composition, standard
temperature and pressure.

Tower

External Inputs Tab

parameters can be set through the DEW. Parameter references and equations can be attached to
these parameters. The numerical value of these parameters cannot be changed in the running
engine through DEW and will have no affect on the running model.

Ambient Temperature

standalone point TAMBIENT.


Imposed heat to fluid corresponds to the Qimp parameter. External heat input can be imposed on
a stage-by-stage basis. If there is no external heat input to the stages, set the parameter to the
default value.
Tower

Reaction Tab

Enable reactions corresponds to the RxnFlag parameter. It is a global reaction flag to activate or
deactivate the creation of the reaction submodels and will apply to all the sections in a Tower.

You can configure reactions separately for each of the sections defined on the Basic tab. If you
wish no reactions in a particular section, either leave Rxn Set Name empty for that section or
disable the reactions using the Rxn Set Status column.

See Reaction Submodel in Base Equipment Fundamentals for details on configuration.
Tower

Thermo Tab

Thermo Options

parameter, Local thermo options to LocalThermoOption parameter, and Local flash option to
the LocalFlashOption. Specify these parameter values in the SIM4ME Thermo GUI to avoid
setting the parameters for individual equipments on the flowsheet.

Phase Options

performed by SIM4ME Thermo such as VLE, VLLE, Free Water and Decant. ExternalPhases
corresponds to the ExternalPhases parameter.

Tower

Notes Tab

Tower

The Tower Viewer

Tower Viewer displays the values of the some of the basic parameters as shown in the following
snapshot.

To invoke the Tower Viewer feature, right click on the Tower object on the flowsheet and select
View Tower. Alternatively, select the Tower object node from the instances tree and right click
to select View Tower.

Tower

Parameter Table

Basic
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
AerationFactor
Tray aeration fraction
Aeration factor controls the
amount of vapor in liquid
phase. At a value of 0.75, the
liquid volume increases 25%
(1/0.75) due to the presence of
vapor.
KD0.7 Yes NSection fraction
Dia
Stage diameter
Inside diameter of the stage.
KD2 Yes NSection+1 m
DowncomerAreaFrac
Downcomer area fraction
Downcomer area fraction is
fixed depending on the number
of passes. It takes the value of
0.1, 0.2 and 0.3 for One, Two
and Four passes, respectively.
The user can set this value by
selecting the passes as Other.
DrainFrac
Fraction of tray hole area
available for liquid draining
Fraction of hole area available
for liquid draining. Use 1.0 for
sieve stages, 0 for valve stages,
and 0.2 for very leaky valves.
E
Relative elevation
Tower bottom elevation related
to a reference point in the
simulation.
KD0 No m
HoldupFactor
Holdup factor
Ratio of actual stages to
modeled stages. Used to
maintain proper calculations
for the entire Tower while
simulating the Tower with
number of theoretical stages
rather than actual stages.
KD1.0 Yes NSection
HoleAreaFrac
Tray hole area fraction on the
stage
This is the total effective hole
area given as a fraction of the
active area.
Tower

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
KJ
Tray flow conductance factor
This factor represents a tuning
factor on the stage vapor
forward flow conductance.
KD1 Yes NSection
Mm
Metal mass
Tower total metal mass. Used
in metal temperature
calculation.
KD5000 Yes kg
Passes
Tray number of passes
The number of flow paths
(passes) on each stage.
0 = ONE
1 = TWO
2 = FOUR
3 = OTHER
KI ONE No NSection
Spacing
Tray spacing
Distance between two stages.
KD0.67 Yes NSection+1 m
StageEff
Stage efficiency for Trays and
Packing
Stage efficiency defines the
fraction of vapor through the
stage from the stage below.
The rest of vapor will bypass
the flash calculation and feed
to the vapor holdup.
KD1 Yes NSection fraction
StageType
Type of Stage
The type of stage could be
either Plate or Packing.
0 = TRAY
1 = PACK
The option selected will create
plate specific or packing
specific parameters.
KI TRAYNo NSection
StartStage
Starting Stage for this Section
This parameter defines the
starting stage number for each
stage section. The ending stage
number will be calculated
internally.
KI 1 No NSection
WeepVapFlow
Tray weep vapor flow
It is the threshold value of
vapor flow below which the
liquid starts draining through
the holes. Typical value is 40%
of the normal vapor flow
KD0.01 Yes NSection kg-mol/sec
Tower

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
WeirHeight
Weir height
Weir height for each stage
section.
KD0.056 Yes NSection m
WeirLengthFrac
Weir length fraction
This is the total weir length
given as a fraction of the tray
diameter. The default value is
0.6, 1.0 and 1.6 for PASSES =
ONE, TWO and FOUR,
respectively. To overwrite the
value, set PASSES = OTHER.
KD0.6 No NSection WeirLengthFrac
Cpm
Metal specific heat
Metal specific heat. The default
value is typical of carbon steel.
KD0.5 Yes

kJ/kg K

Basic Packed Sections
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
AreaPack
Packing specific surface area
Specific surface area is the surface area
per unit of packing volume. This is also the
reactive surface area if reactions are
present on the stage. The default value is
for Raschig Rings of size 10.
KD 472 Yes NSection 1/m
C1
The default value is for Raschig Rings of
size 10. User must supply correct value
based on the type of packing. Please refer
to the user document, which provides
values for these coefficients for most
commonly used packing.
KD 48.0 Yes NSection
C2
to user document, which provides values
for these coefficients for most commonly
used packing.
KD 8.0 Yes NSection
C3
to user document, which provides values
for these coefficients for most commonly
used packing.
KD 2.0 Yes NSection
Tower

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
ViscV
Viscosity of vapor
This is used in the pressure drop
calculation in a packed bed. The default
value supplied is that of air at 20 C and 1
atm. User must set the correct value of the
fluid involved to get accurate results.
KD 0.02 Yes NSection Cp
Void
Void fraction is the empty column per unit
volume of the packed bed. The default
value is for Raschig Rings of size 10.
KD 0.9 Yes NSection fraction

Heat Transfer
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Ul
Heat transfer coefficient between metal and ambient.
KD0.01 Yes
kW/m2-
K
Un
Natural convection heat transfer (film) coefficient from fluid
to metal. There is no forced convection modeled in the
Tower
KD0.10 Yes
kW/m2-
K

Solution Options
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Solution Option
Solution Options
0 = SIMULTANEOUS

KI SIMULTANEOUS

Reactions
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
RxnFlag
Reaction flag
This flag turns on or off the all of the
reactions in the reactor. The default
value is no reactions (0).
KB false No
Rxn.RxnData
Stage reaction data option
All the stages with reactions in the
Tower will use the same reaction
parameters on a global basis.
KI ALL No
Rxn.RxnFactor

Reaction factor
This parameter can be used to scale all
the reaction rates in the reactor to
simulate the reactor efficiency. The
default value is 1.
KD 1
Yes

Rxn.ORxnDataSet Reaction data set object(s)
RXN
DATA
0 No
Tower

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
This defines the Reaction Data Set
objects in the reactor. This value will be
used to set the Reaction Data Set
objects for all stages with reactions.
SET
Rxn.RxnDataSetSta
tus
0 = PASSIVE
1 = ACTIVE
This turns on or off the Reaction Data
Set in the reactor. This value, if
initialized, will be used instead of the
corresponding Reaction Data Set's
Status parameter. This value will be
used to set the Reaction data set status
for stages with reactions.
KI No

Initialization
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
OInitSource
If OInitSource is specified, the stage, mass and energy of
the holdup will be initialized from the specified, Source
model. The Source should have the same Internal, and
ExternalPhases specification as the Tower
OBJECT
ReInitFlag
Reinitialize holdup flag
The vessel will reinitialize from a Source model if
specified. If not, the vessel will use an arbitrary,
composition based on an equimolar composition, Midpoint
levels will be used if an initial L or L2 is not provided
KB 0 No

External Inputs
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Qimp

External heat imposed on the fluid. It is set on
stage-by-stage basis
DD 0 Yes NStage+1kJ/sec
Tamb
Ambient temperature
DDTAMBIENTYes K

Tower

Nozzles
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Di
KD0.05 No
OFeed
Stream
m
Dx
pass.
KD0.05 No
OProd
Stream
m
DxL
Diameter of LIQUID outlet port
This is an array of nozzle diameter that corresponds to
the array of LIQUID product ports from bottom stage.
This diameter is used to ramp transition from one phase
to another as phase boundary pass.
KD0.05 No
OProd
Liquid
m
DxV
Diameter of VAPOR outlet port
This is an array of nozzle diameter that corresponds to
the array of VAPOR product ports from top stage. This
KD0.05 No
OProd
Vapor
m
Li
individual feed stage.
KD0 No
OFeed
Stream
m
Lx
individual product stage.
KD0 No
OProd
Stream
m

Advanced
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
KJR
Tray reverse flow conductance for
tray section
This factor represents a tuning
factor on the stage vapor reverse
flow conductance.
KD 0.1 Yes NSection
KJrStage
Tray reverse flow conductance for
individual stage
This parameter can be used to tune
the KJr for individual stage. The
actual KJr will be a product of
global section KJ defined in the
Tower parent model and KJrStage.
KD 1 Yes NSection
Tower

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
KJStage
Flow conductance for individual
stage
the KJ for individual stage. The
actual KJ will be a product of
global section KJ defined in the
Tower parent model and KJStage.
KD 1 Yes NSection
LCb
internal coil or tube bundle within
the stage. It is used to calculate the
heat stream AreaFrac if the Tower
is connected to a Utility Exchanger.
KD 0 No NStage+1 m
LCt
Level at coil top
coil or tube bundle within the stage.
It is used to calculate the heat
stream AreaFrac if the Tower is
connected to a Utility Exchanger.
KD 0 No NStage+1 m
StageEffStage
Stage efficiency for individual stage
the StageEff for individual stage.
The actual StageEff will be a
product of global section StageEff
defined in the Tower parent model
and StageEffStage.
KD 1 Yes NStage+1

Calculated Values
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
DP
Pressure drop
Pressure drop for Weir and Plate submodels.
DD0 No 2*NStage kPa
DPHead
Pressure difference due to static head
Static head due to elevation change for Weir
and Plate submodels.
DD0 No 2*NStage kPa
Fi
Inlet flow rate
Inlet flow rate for Plate and Weir submodels.
DD0 No 2*Nstage
kg-
mol/sec
Fx
Exit flow rate
Exit flow rate for Plate and Weir submodels.
DD0 No 2*Nsatge
kg-
mol/sec
P
Pressure
Pressure for each stage.
DD101.325No Nstage+1 kPa
Poff
Pressure offset
Used in simultaneous solver to indicate the
pressure offset between solver and flash on
each stage.
DD0 No Nstage+1 kPa
T Temperature DD298.15 No Nstage+1 K
Tower

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Temperature for each stage
FV
Vapor flow rate
Internal vapor traffic through the tower. The
top stage will be the summation of all vapor
flow leaving the stage.
DD0 No Nstage+1
kg-
mol/sec
HL
Liquid phase mole energy
Stage liquid mole energy.
DD1 No NStage+1
kJ/kg-
mol
HV
Vapor phase mole energy
Stage vapor mole energy.
DD1 No NStage+1
kJ/kg-
mol
FL
Liquid flow rate
Internal liquid traffic through the tower. The
bottom tray will be the summation of all liquid
flow leaving the stage.
DD0 No NStage+1
kg-
mol/sec
L
Level of liquid phase1
Absolute level of the combined liquid phase
from bottom of stage.
DD0 No NStage+1 m
L2
Level of liquid phase2
Absolute level of the second liquid phase from
bottom of stage. It will be always zero since
there is only a single mixed liquid phase.
DD0 No NStage+1 m
RL
Liquid mole density
Stage liquid mole density
DD1 No NStage+1
kg-
mol/m3
RV
Vapor mole density
Stage vapor mole density
DD1 No NStage+1
kg-
mol/m3
Mt
Total moles
Total holdup moles in each stage for all
components and phases.
DD0 No NStage+1 kg-mol
MtL
Total liquid moles
Total liquid holdup moles in each stage for all
MtV
Total vapor moles
Total vapor holdup moles in each stage for all
MWV
Vapor molecular weight
Stage vapor phase molecular weight.
DD1 No NStage+1
MWL
Liquid molecular weight
Stage liquid phase molecular weight.
DD1 No NStage+1
T
Temperature
Temperature of vapor and liquid from this
stage.
DD298.15 No NStage+1 K
TL
Liquid phase temperature
Stage liquid phase temperature.
DD298.15 No NStage+1 K
TV
Vapor phase temperature
Stage vapor phase temperature.
DD298.15 No Nstage+1 K
Ql
Heat loss from metal to ambient. A negative
value indicates that the metal is losing heat to
DD0 No Nstage+1 kJ/sec
Tower

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
the surroundings.
Qn
Heat loss from fluid to metal. A negative value
indicates that the fluid is losing heat to the
metal.
DD0 No Nstage+1 kJ/sec
UtL
Total liquid phase internal energy
Stage total liquid phase internal energy.
DD0 No NStage+1 kJ
UtV
Total vapor phase internal energy
Stage total vapor phase internal energy.
DD0 No NStage+1 kJ/sec
VolL
Liquid volume
Stage liquid volume.
DD0 No NStage+1 m3
VolV
Vapor volume
Stage vapor volume.
DD0 No NStage+1 m3

Derivatives
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
dTm
Derivative of metal temperature
Derivative of stage metal temperature. A positive
value indicates that the metal is getting hotter.
DD0 No NStage K/sec
dUT
Derivative of stage internal energy calculated from
the flowing enthalpy of all streams connected to the
stage, fluid heat stream duty, and heat loss to metal.
DD0 No NStage
kJ/kg-
mol/sec

States
Paramet
er
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
Tm
Metal temperature
Stage metal temperature
SD 298.15 No NStage K
UT Total internal energy state SD 0 No NStage kJ

Tower

Topology
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
NSection
Number of Sections
This parameter defines total
number of sections excluding Sump
in the Tower.
KI 1 No
NStage
Number of stages
Total number of stages in the
Tower
KI 0 No
OBaseFeedVapor
Vapor feed stream from the
external base model
This stream defines the feed vapor
from a Drum or Separator acting
as an external tower base. This
connection can only be used if the
Tower model has SumpFlag = 0
indicating that an internal sump is
not present.
STREAM
OBaseProdLiquid
Liquid product stream to the
external base model
This stream defines the liquid
stream from the bottom stage to a
Drum or Separator acting as an
external tower base. This
not present.

OFeedStream
Feed Stream
Tower feed stream can be
connected only from flow devices.
Identifies the feed, or inlet, stream
and its associated fluid properties.
This entry must be unique to all
other feed streams in the flowsheet.
However, this entry can be the
same as a product stream identifier
from another unit. OFeedStream
and OProdStream cannot be the
same. Any number feed stream can
be connected to the Tower.
STREAM
OProdLiquid
Liquid-port product stream
Array of Tower liquid product
streams from the bottom of the
bottom stage. Can be connected to
only flow devices. Identifies the
product, or outlet, stream and its
associated fluid properties. This
entry must be unique to all other
STREAM
Tower

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
product streams in the flowsheet.
However, this entry can be the
same as a feed stream identifier to
another flow device.Any number of
liquid product streams can be
connected from Tower. This
not present.
OProdStream
Product Stream
Tower product stream can be
connected to only flow devices.
Identifies the product, or outlet,
stream and its associated fluid
properties. This entry must be
unique to all other product streams
in the flowsheet. However, this
entry can be the same as a feed
stream identifier to another flow
device. OFeedStream and
OProdStream cannot be the same.
Any number of product streams can
be connected from Tower.
STREAM
OProdVapor
Vapor-port product stream
Array of Tower vapor product
streams from the top of the top
stage. Can be connected to only
flow devices. Identifies the product,
or outlet stream and its associated
fluid properties. This entry must be
unique to all other product streams
in the flowsheet. However, this
entry can be the same as a feed
stream identifier to another flow
device. Any number of vapor
product streams can be connected
from Tower.
STREAM
ProdStage
Product stage location
This is an array of stage location
that corresponds to the array of
feed streams OProdStream.
KI 1 No
OProd
Stream

FluidHeatStage
Fluid heat stream stage
feed fluid heat streams
OFeedFluidHeatStream.
KI 0 No
OFeed
Fluid
Heat
Stream
FluidHeatStage
MetalHeatStage Metal heat stream stage KI 0 No OFeed MetalHeatStage
Tower

Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
feed metal heat streams
OFeedMetalHeatStream.
Metal
Heat
Stream
OFeedFluid
HeatStream
Feed fluid feed heat stream
connected to the fluid of the Tower.
HEAT
STREAM
No
User
Specified

OFeedMetal
HeatStream
Feed metal heat stream
connected to the metal wall of the
Tower.
HEAT
STREAM
No
User
Specified

Dynamic (Stage)
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
X
Liquid phase composition
Stage liquid phase composition.
DD 0 No
Comp
Slate

Y
Vapor phase composition
Stage vapor phase composition.
DD 0 No
Comp
Slate

States (Stage)
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
M
Array that includes the total holdup moles
of each component.
SD 0 No
Comp
Slate
kg-mol
Z
Stage mole fraction for each component.
SD 0 No
Comp
Slate
fraction

Derivatives (Stage)
Parameter
Name
Description
Dft
Cls
Dft
Val
Eq
Ok
Arr
Siz
UOM
dM
Derivatives of total moles for each component on the
stage.
DD0 No
Comp
Slate
kg-
mol/sec

Tower

Legend:
KB - Static Boolean
KI - Static Integer
KF - Static Float
KD - Static Double

SB - State Boolean
SI - State Integer
SF - State Float
SD - State Double

DF - Dynamic Float
DD - Dynamic Double

not a vector.

reaction submodel.

Tower

FAQ

Q. Why do I need to use a higher value of KJ in the Tower model compared to the Column
model when rest of the geometric data is the same?

(OR)

Q. Why does the flow calculated using the equation in Tower\Fundamentals\Flow
Calculation\Tray Vapor section does not match with what the application calculates?

A. The DP term used in the flow equation is linearized when DP is less than DPLin i.e.
DP/sqrt(DPLin) instead of sqrt(DP). By default, DPLin is 10kPa. The Column model does not
have pressure linearization. Since, sqrt(DP) is greater than DP/sqrt(DPLin) for DP < DPLin, one
needs to use a higher value of KJ in the Tower model to match the results of the Column model.

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