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PRO II USERS GUIDE

Release 8.0
License and Copyright Information
PRO/II 8.0

The software described in this guide is furnished under a written agreement and
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Printed in the United States of America, June 2006


Table of Contents
Chapter 1 Using PRO/II .............................................................................9
Starting PRO/II...................................................................................................9
Compatibility with Previous Versions...............................................................11
PRO/II Main Window Components..................................................................12
Manipulating the PRO/II Window.....................................................................13
Working with On-screen Color Coding Cues...................................................14
Using the Menus..............................................................................................14
Using the Floating Palettes..............................................................................18
Using the Toolbar Buttons ...............................................................................18
Using the PRO/II Main Window .......................................................................22
Chapter 2 Simulation Basics...................................................................23
General Approach............................................................................................23
Building the Flowsheet.....................................................................................25
Required Data..................................................................................................26
Default Data ...................................................................................................28
Optional Data.................................................................................................29
Chapter 3 Managing PFD Files...............................................................31
Opening a New Simulation ..............................................................................31
Opening an Existing Simulation.......................................................................32
Saving the Current Simulation.........................................................................32
Closing a Simulation ........................................................................................34
Deleting a Simulation.......................................................................................34
Copying a Simulation.......................................................................................35
Importing a PRO/II Keyword Input File ............................................................37
Exporting Simulation Data to a PRO/II Keyword File ......................................41
Simulation Data to Keyword File .....................................................................42
Using the Spreadsheet Tools ..........................................................................43
Exporting the Flowsheet Drawing to the Clipboard .........................................44
Exporting Stream Property Table Data............................................................44
Copying Stream Property Table Data to the Clipboard ...................................45
Exporting the PFD to an AutoCAD or PostScript File......................................46
Chapter 4 Building a Flowsheet ..............................................................47
Setting Simulation Preferences .......................................................................47
Placing a Unit on the Flowsheet ......................................................................57
Drawing Streams .............................................................................................60
Searching for a Unit or Stream ........................................................................64
Changing the Flowsheet Layout ......................................................................65
Drawing Freehand Objects ..............................................................................66
Chapter 5 Manipulating Objects..............................................................71
Selecting Objects or Groups of Objects ..........................................................71
Resizing an Object...........................................................................................74
Rearranging Objects or Groups of Objects .....................................................75
Editing Text......................................................................................................77
Chapter 6 Viewing Flowsheet Contents..................................................79
Scrolling the PFD.............................................................................................79
Zooming ...........................................................................................................79
Opening Multiple Viewport Windows ...............................................................80
Redraw the Simulation.....................................................................................81
Panning............................................................................................................81
Chapter 7 Data Entry Windows................................................................85
Defining the Simulation....................................................................................85
Data Entry Windows for Unit Operations.........................................................94
Chapter 8 Specifying Component, Thermodynamic and Stream Data .101
Component Data............................................................................................101
Thermodynamic Data ....................................................................................112
Stream Data...................................................................................................126
Refinery Inspection and User-defined Properties..........................................139
BVLE (Validating Equilibrium Data)...............................................................146
Chapter 9 Unit Operations and Utility Modules.....................................148
Calculator.......................................................................................................150
FORTRAN Statements ..........................................................................155
Sample Calculator Procedures.............................................................163
CAPE-OPEN..................................................................................................167
Column, Batch ...............................................................................................171
Column, Distillation ........................................................................................172
Column, LiquidLiquid Extraction ..................................................................191
Column, Side .................................................................................................197
Compressor ...................................................................................................200
Controller .......................................................................................................205
Crystallizer .....................................................................................................208
Cyclone ..........................................................................................................212
Depressuring Unit ..........................................................................................219
Dissolver ........................................................................................................224
Excel Unit.......................................................................................................225
Expander .......................................................................................................231
Flash ..............................................................................................................233
Flash With Solids ...........................................................................................237
Flowsheet Optimizer ......................................................................................238
Heat Exchanger, LNG....................................................................................244
Heat Exchanger, Rigorous.............................................................................246
Heat Exchanger, Simple ................................................................................256
Heating/Cooling Curves.................................................................................260
Mixer ..............................................................................................................264
Multivariable Controller ..................................................................................265
Phase Envelope.............................................................................................268
PIPEPHASE Unit Operation ..........................................................................270
Pipe................................................................................................................273
Polymer Reactor ............................................................................................278
Procedure Data..............................................................................................280
Pump..............................................................................................................288
Reaction Data ................................................................................................289
Reactor ..........................................................................................................293
Reactor, Batch ...............................................................................................307
Solid Separator ..............................................................................................308
Splitter............................................................................................................309
Stream Calculator ..........................................................................................311
SPEC/VARY/DEFINE ....................................................................................314
User-added Unit Operations..........................................................................327
Electrolyte Module .........................................................................................332
Simsci Add-on Modules .................................................................................335
Valve ..............................................................................................................339
Wiped Film Evaporator ..................................................................................340
Chapter 10 Running and Viewing a Flowsheet.....................................341
Using the Run Palette....................................................................................341
Checking the Simulation Status.....................................................................343
Understanding the Unit Color Coding Cues ..................................................344
Running the Simulation..................................................................................345
Viewing Calculation History ...........................................................................349
Viewing Results .............................................................................................349
Viewing Results in Stream Property Tables ..................................................350
Running a Case Study...................................................................................353
Viewing Case Study Results .........................................................................355
Running Files in Batch Mode.........................................................................355
Chapter 11 Printing and Plotting ............................................................361
Defining Output Format .................................................................................361
Generating a Report ......................................................................................368
Viewing a Report ...........................................................................................369
Printing a Report............................................................................................369
Plotting ...........................................................................................................369
The Plot Viewer .............................................................................................373
Setting Up the Printer ....................................................................................374
Printing a Flowsheet Layout ..........................................................................374
Chapter 12 Customizing the PFD Workplace ........................................375
Changing Unit Style .......................................................................................375
Changing Stream Style..................................................................................378
Modifying Drawing Preferences.....................................................................386
Specifying a Default Editor ............................................................................387
Changing the Default Font.............................................................................387
Index ......................................................................................................389
This page is intentionally left blank

8 PRO/II USER GUIDE JUNE 2006


Chapter 1
Using PRO/II
This chapter describes how to start and exit PRO/II. In addition, it reviews some
basic Windows features as they appear in PRO/II and briefly describes how to
use them.

Starting PRO/II

If you have not yet installed PRO/II on your system, see the PRO/II PC/LAN
Installation Guide.

If you do not see a PRO/II icon in a SIMSCI group window or in your


Program/SIMSCI Start menu, see the troubleshooting section in the PRO/II
PC/LAN Installation Guide.

To start PRO/II:

Double-click on the PRO/II icon or launch from the Start menu. The
PRO/II welcome window appears. This window contains information on
opening files and on the color codes used in the program.

Chapter 1 USING PRO/II 9


Figure 1-1: The PRO/II Welcome Window

Click OK to exit the window. The PRO/II main window will appear.

10 PRO/II USER GUIDE JUNE 2006


Figure 1-2: The PRO/II Main Window

You can now open a new simulation file (select File/New), open an existing file
(select File/Open), or import a keyword file (select File/Import). See Chapter 3,
Managing PFD Files, for additional details.

Compatibility with Previous Versions

This release of PRO/II can read simulation files created by previous versions of
PRO/II. When you open a simulation file created by a previous version, the file is
automatically converted to the current version and a copy of the original file is
saved under a different name. For example, if you open G3.prz that was created
by PRO/II version 6, the converted file will be saved as G3.prz and a copy of
the original file will be saved as G3_v60.prz.

Note: Some keyword input files that were created manually may include features
that are not supported by the PRO/II graphical user interface. PRO/II issues a
warning when this occurs. For flowsheet execution, all features will be preserved
if you choose either the Read Only or Run Batch mode. In all cases, if you
subsequently export the problem, all supported features will be lost. The

Chapter 1 USING PRO/II 11


exported file will not include any of the unsupported features. Later import of the
exported file will reveal that the unsupported features are missing. It is always
prudent to make copies of your original files and to work only on copies of the
original files.

PRO/II Main Window Components

Component Description
Control Menu Box Displays a menu with commands for sizing,
moving and closing the active window.

Title Bar Identifies the application and the name of the


open file; can be used to move the entire
window.

Minimize Button Reduces the application window to an icon.

Maximize/Restore Button Enlarges a window to full screen or restores it to


its default size
Menu Bar Identifies the menus available in PRO/II: File,
Edit, Input, Output, Tools, Draw, View, Options,
Window and Help.

Toolbar Provides push button access to various Edit,


Input, Tools, View, Window, and Help options

PFD Main Window Provides a workspace for placing units, making


stream connections, drawing objects, and
adding text.

Horizontal Scroll Bar Functions as a sliding scale for moving the


flowsheet to the right or left in the PRO/II main
window.

Vertical Scroll Bar Functions as a sliding scale for moving the


flowsheet up or down in the PRO/II main
window.

Status Bar Displays help, information and error messages


for the active feature or object.

Border Handles Changes window height, width, or size when the


corresponding border handle is dragged to a
new position.

12 PRO/II USER GUIDE JUNE 2006


Manipulating the PRO/II Window

The PRO/II window offers many features that enable you to customize its
appearance, relative to the full screen and other applications. Detailed
instructions on use of the Windows graphical user interface may be found in
numerous reference manuals available at any large bookstore.

Changing Window Size

The Windows interface provides tools for resizing each window. Some tools
automatically change a window to a particular size and orientation, others enable
you to control the magnification.

Using Minimize/Maximize Buttons

The minimize and maximize buttons automatically adjust the size of a window.

Using Border Handles

You can use the window border to change the size of the main window. The
border works like a handle that you can grab with the cursor and drag to a new
position.

Using the Control Menu

You can also use the Control menu to Restore, Move, Size, Minimize, or
Maximize a window. Open the Control menu by clicking the PRO/II icon at the far
left of the title bar or by pressing <Alt+Space>.

Changing Window Position

You can change the position of the main window (or any pop-up
window) by dragging the title bar.

Chapter 1 USING PRO/II 13


Working with On-screen Color Coding Cues

PRO/II provides the standard visual cue (grayed out text and icons) for menu
items and toolbar buttons that are currently unavailable. In addition, PRO/II uses
colored borders liberally to indicate the current status of the simulation. You may
customize the color coding by accessing the Set Colors window by selecting
Options/Colors from the menu bar.

PRO/II On-Screen Color Codes


Color Significance
Red Required data Actions or data required of the user

Green Optional or default data

Blue Data supplied by user

Yellow Questionable data. A warning that the value


supplied by user is outside the normal range.

Gray Data field not available to user

Black Data entry not required

Using the Menus

The names of the PRO/II main menus appear on the menu bar. Use these
menus to access most PRO/II operations.

14 PRO/II USER GUIDE JUNE 2006


Figure 1-3: File Menu

Figure 1-4: Edit Menu

Chapter 1 USING PRO/II 15


Figure 1-6: Output Menu

Figure 1-5: Input Menu


Figure 1-7: Tools Menu

16 PRO/II USER GUIDE JUNE 2006


Figure 1-8: Draw Menu

Figure 1-9: View Menu

Figure 1-10: Options Menu

Figure 1-11: Window Menu

Figure 1-12: Help Menu

Chapter 1 USING PRO/II 17


Using the Floating Palettes

There are two floating palettes. The first contains the unit operations and streams
needed to construct a flowsheet. The second contains controls used to run the
simulation. These palettes may be displayed or hidden by selecting
View/Palettes from the menu bar.

Menu Item Description

View/Palettes/PFD Checking this option displays the PFD palette


containing unit operations and streams (also known
as the Streams/Unit palette).

View/Palettes/Run Allows running the simulation and viewing results.

Using the Toolbar Buttons

The main toolbar can be displayed in the standard (full) or compact format. When
displayed in standard format (View/Toolbar/Standard from the menu bar), seven
groups of buttons are visible. Toolbar buttons duplicate options available from the
menus on the menu bar.
New, Open, Save, Print and Print Preview
Multiple View and PFD Palette buttons
Data Entry Window buttons
Go To buttons
VLE Tool buttons
Run/Results buttons
Delete and View buttons
Help button

Using the Multiple View and PFD Palette Buttons

These buttons enable you to open multiple views of a single flowsheet and hide
or display the floating PFD palette.

Button Menu Item Description

View/New View Opens another viewport


window of a single
simulation problem.

View/Palette/PFD Displays or hides the


floating PFD palette.

18 PRO/II USER GUIDE JUNE 2006


Using the Data Entry Window Buttons

Each Data Entry Window button provides quick access to the main data entry
window for the selected section of input.

Button Menu Item Description

Input/Problem Description Describes the current simulation and


relates it to a specific project.

Input/Units of Measure Sets units of measure specific to this


simulation. Each new simulation extracts
defaults from the default Unit of Measure
Set.

Input/Component Specifies the components and pseudo


Selection components for the current simulation.

Input/Component Properties Supplies component properties.

Input/Thermodynamic Data Selects thermodynamic methods for the


current simulation.

Input/Assay Characterization Modifies TBP cutpoints and


characterization options for generating
pseudo components from Assay streams.
Input/Reaction Data Defines reactions and provides heat of
reaction, equilibrium, or kinetic data for
reaction sets.
Input/Procedure Data Use this window to create or delete
Procedure blocks in order to calculate
kinetic reaction rates.

Input/Casestudy Data Allows user to perform studies on a base


case solution by altering parameters and
rerunning.
Input/Calculation Sequence Specifies a user-defined calculation
sequence.

Input/Recycle Convergence Specifies user-defined recycle


convergence and acceleration options.

Input/Toggle Stream User can select a particular stream


Property List property table as the toggle stream
property list.

Chapter 1 USING PRO/II 19


Using Go To Buttons

The Go To buttons enable you to jump to a selected unit or stream. PRO/II


repositions the flowsheet to place the selected unit or stream at the center of the
main window. The Stream List and Unit List (Go To) windows also allow direct
data entry and review of output results for the selected stream or unit.

Button Menu Item Description

View/Pan View Allows quick panning through the entire


flowsheet.

View/Unit List Displays a list of units in the current


flowsheet. By selecting a name, you
can jump directly to that unit.

View/Stream List Displays a list of streams in the current


flowsheet. By selecting a name, you can jump
directly to that stream.

Using VLE Tools Buttons

The VLE Tools buttons enable you to perform simulation functions, e.g., flash, a
stream highlighted on the PFD using the Flash Hot-key.

Button Menu Item Description

Tools/Flash Stream Flashes the stream highlighted on the


PFD. (Also called the Flash Hot-key)

Tools/Binary VLE Generates plots and tables of K-values


and fugacity coefficients for binary pairs
of components.

Using Run/Results Buttons

The Run/Results buttons duplicate functions on the Run Simulation floating


palette. They allow you to run, stop a simulation or permit viewing results and
generate output reports. The Generate Output button duplicates an Output menu
item.

20 PRO/II USER GUIDE JUNE 2006


Button Menu Item Description

-------- Runs the simulation


-------- Stops the simulation

-------- Allows results for the selected stream or unit to


be viewed.

Output/Generate Generates an output report for the simulation


Report problem.

Using Delete and View Buttons

PRO/II provides a Delete button and a set of View buttons on the toolbar that
facilitate editing and viewing of the flowsheet. These buttons duplicate items
available on the Edit and View menus.

Button Menu Item Description

Edit/Delete or <Delete> Deletes the currently selected


object(s) from the flowsheet.

View/Zoom/Zoom In, Zoom Out Zooms in or out of the flowsheet.

View/Zoom/Zoom Full or <Home> Displays the entire flowsheet in the


PFD window.

View/ Zoom/Zoom Area Displays the selection rectangle


used to select a set of units,
streams or objects on the
flowsheet. The selected area fills
the PFD.

View/Zoom/Redraw or <Shift+Home> Clears the PFD of any extraneous


object by redrawing the flowsheet.

Chapter 1 USING PRO/II 21


Using the Help Button
The What Is? Help button displays context-sensitive help.

Button Menu Item Description

What Is? Displays help for the


object you point to.

Using the PRO/II Main Window

The PRO/II main window (PFD) is the main drawing board. You may place the
following objects on the PFD:
Unit operations from the PFD palette
Stream connections
Text
Drawings
Stream property tables

Use the PRO/II main window to see the contents of your simulation.
You can choose to view the entire flowsheet or only a portion of it. You control
the view using scroll bars, pan options, the zoom bar, or arrow keys.

Note: See Chapter 5, Manipulating Objects, for information about


placing, selecting and changing the size of objects in the PFD.

22 PRO/II USER GUIDE JUNE 2006


Chapter 2
Simulation Basics
In the previous chapter, you learned some of the basic window features of
PRO/II. In this chapter, you will learn simulation basics; that is, how to set up
simulation problems, solve them, and analyze the results.

General Approach

This chapter provides a quick overview of the use of PRO/II for solving
engineering problems. A suggested basic approach is given as well as helpful
explanations of the information flow in PRO/II. Sample data entry windows are
given to illustrate data entry for PRO/II. Step-by-step examples are available in
the PRO/II Tutorial Guide. Online help is also available.

You have already learned that PRO/II gives you great flexibility and numerous
options when supplying simulation data. For many items of data, default values
are supplied. A color code informs you when data are required, supplied by
default, out of normal ranges, or missing.

Note: You must supply data for all red-bordered fields or red-linked text
(including data required) before running your simulation.

Problem data may be supplied in almost any order: PRO/II warns you when
required data are missing. However, it is still best to follow a logical path when
supplying simulation data. For example, some options such as stream
compositions are dependent upon the components selected. Some unit
operations, such as the flash drum, have features that are dependent on the
thermodynamic data. For some other unit operations, performance specifications
based on the components in the system are the preferred way to define the
operation.

For these reasons, the following approach is recommended when


building a simulation flowsheet.

Draw the Flowsheet

Select the unit operations needed for the flowsheet calculations and position
them on the PRO/II PFD main window.

Chapter 2 SIMULATION BASICS 23


Connect the Unit Operations with Streams

The streams are the connectors for the process calculations, with information
passed from one unit operation to another via the process streams.

Define the Components in Your System

It is best to order the components in volatility order, starting with the lightest
component. This makes it easy to analyze the separations which occur in unit
operations such as distillation. While not a necessity, for hydrocarbon/water
systems, defining water as the first component is also a good idea. This makes it
easy to see the break between the aqueous and nonaqueous phases. User-
defined petroleum pseudocomponents and/or polymer components for which you
supply data should be entered next. Petroleum pseudocomponents generated by
PRO/II from petroleum stream assay data will appear last in the component lists
of the output reports.

Select the Thermodynamic and Transport Property Methods

For many problems, a system may be selected from the Most Commonly Used
thermodynamic methods. Guidelines for thermodynamic methods are provided in
the PRO/II online help, and in the PRO/II Reference Manual (both in online help
and in hardcopy forms). Further assistance is available through SIMSCI
ESSCOR Technical Support. Selecting a proper thermodynamic method is a
critically important step in the solution of a simulation problem.

Supply Data for the Feed Streams and Recycle Streams

You must supply thermal conditions, flowrates, and compositions for all external
feed streams to the flowsheet. It is usually desirable, although not necessary, to
provide estimated data for recycle streams to speed convergence of recycle
calculations.

Supply Operating Conditions for the Unit Operations

Double-click the icon for each unit operation to access the data entry windows.
The color codes tell you what data you must supply and what data have default
values. You may also use the online help to learn more about the calculation
options, data entry items, etc., for each unit operation.

A quick review is also a good idea at this point. Do the thermodynamic methods
support the unit operation calculations? Are transport properties required for any
of the unit operations?

24 PRO/II USER GUIDE JUNE 2006


Run the Process Simulation

PRO/II lets you know, by color code, when sufficient information has been
supplied to perform the calculations. When all of the borders on the toolbar icons
have changed from red (indicating missing data) to green or blue, you are ready
to run your simulation. At this point, you may click the Run (right arrow) icon on
the toolbar or the Run button on the floating Run palette to begin the flowsheet
calculations.

Analyze the Simulation Results


Use the many convenient report and plotting features of PRO/II to analyze the
simulation results. At this point, your training as an engineer should take charge.
Are the results reasonable? How do the results compare with the plant data?
Can differences be reconciled? Are better data for the feedstocks needed? Are
the models adequate for the intended purposes?

Now that we have presented an overall plan for simulating a flowsheet, lets look
at some of the individual steps in more detail.

Building the Flowsheet

Unit Operations

Use the floating PFD palette to begin building the flowsheet. The icons and
names for the unit operations appear as buttons on the PFD palette. To add a
unit operation to the flowsheet, click the unit icon on the PFD palette and click-
drop it at the desired location on the flowsheet.

Streams

Click the Streams button on the top of the floating PFD palette. The PFD is now
in stream mode and a small S is attached to the cursor. You will notice that all
possible exit ports for each unit operation are now marked. Required outlet ports
are colored in red; green is used to mark optional ports. PRO/II adds each
stream to the flowsheet in an orthogonal manner, following a rectangular grid
pattern.

As soon as a valid flowsheet has been built, i.e., all required inlet, outlet, and
connector streams have been added for all the process units, the red border
around the Streams button on the PFD palette changes to blue.

Chapter 2 SIMULATION BASICS 25


Required Data

Now that the flowsheet has been built, its time to supply the required data for the
calculations: the components and thermodynamic methods must be defined, inlet
feed streams and, optionally, recycle streams must be supplied, and the
operating conditions for the unit operations must be specified.

Components

To define the components, select Input/Component Selection from the menu bar
or click on the benzene ring toolbar icon to open the Component Selection main
window. Note that this icon has a red border, indicating that components have
not yet been defined.

Library components for which the library access names are known may be
directly typed into this window, where they are transferred to the List of Selected
Components for the problem. A convenient search procedure is also provided
which may be used by clicking Select From Lists . Petroleum (PETRO)
components are defined in the Petroleum Components window, which is reached
by clicking Petroleum. Non-library components can be defined in the User-
defined window which is reached by clicking User-defined.

Note that petroleum pseudocomponents defined by PRO/II from petroleum


stream assay data do not appear in the Component Selection main window.

Thermodynamic Methods

Thermodynamic methods are defined in the Thermodynamic Data main window


which is reached by selecting Input/Thermodynamic Data from
the menu bar or by clicking on the phase diagram icon. Note that this icon is
initially outlined in red, indicating that thermodynamic methods must be defined
for the problem.

For most problems, a predefined set of thermodynamic methods for calculating


K-values, enthalpies, entropies, and densities may be used. PRO/II offers
numerous Categories of method sets. After a category has been selected, you
may select a method set within that category as a Defined System for the
problem and modify it by clicking Modify to access the Thermodynamic
System-Modification window. Note that transport property calculations are not
included in the predefined method sets. If they are required for the problem, you
must add them to the predefined thermodynamic method set in this window.

26 PRO/II USER GUIDE JUNE 2006


Stream Information

The identifiers for feed streams requiring input data are marked with red borders
indicating that information is missing. Stream information is supplied in the
Stream Data main data entry window which is reached by double-clicking a
stream identifier. The predefined stream identifier may also be changed in this
window.

Three types of information must be supplied in this window: the thermal condition
of the stream, the flowrate for the stream, and the composition of the stream. For
petroleum assay streams, the assay data are provided instead of the composition
data, and PRO/II defines the stream composition for you in terms of petroleum
pseudocomponents.

Although optional, it is good practice to provide reasonable estimates for recycle


tear streams in order to accelerate convergence of problem recycle calculations.

Unit Operations

Unit operation identifiers for which data entries are needed are marked with red
borders. To enter information for a unit operation, double-click its icon to retrieve
the Unit data entry window. Various input options and numeric values are
supplied via this parent window and its child windows. Required information is
always bordered in red; data entry fields for items with supplied defaults are
always bordered in green. After you have supplied information in a data entry
field, the border color changes to blue. Information you have supplied which lies
outside the normal range for the field is marked with a yellow border.

You may also change the default unit identifier in this window and furnish a
longer, more descriptive name for the unit operation. Notice that when you return
to the flowsheet, the unit identifier on the PFD has a black instead of red border,
signifying that all data entry requirements are satisfied. If the border is still red,
you must return to the data entry window for that unit operation and supply the
missing data.

Miscellaneous Data

All data entries in this category are optional. PRO/II provides default entries. In
some cases, global values may be used to supply the defaults, as explained in
Chapter 4, Building a Flowsheet.

Miscellaneous data categories include problem descriptive information, the


calculation sequence, recycle convergence options, flowsheet tolerances, and
the scaling of product streams.

Chapter 2 SIMULATION BASICS 27


Problem descriptive information is optional; however, it can be beneficial to
document a simulation model for future users. This information includes a project
name, problem name, user name, date, site, and problem description. This
information is supplied in the Problem Descriptive Information window, which is
accessed by clicking the toolbar icon with the printed page icon or by
selecting Input/Problem Description from the menu bar.

For most problems, the calculation order determined by PRO/II is satisfactory. To


supply your own sequence, click the toolbar icon with the two connected
flowsheet blocks or select the Input/Calculation Sequence from the menu bar.

Definitions of recycle loops are automatic. To define your own loops, or to use
acceleration techniques, click the toolbar icon with the flowsheet loop icon to
enter the Problem Recycle Convergence and Acceleration Options window or
select the Input/Recycle Convergence from the menu bar.

Flowsheet tolerances are used for convergence of unit operation specifications


and may be changed in the Default Unit Specification Tolerances window, which
is reached by choosing Input/Flowsheet Tolerances from the menu bar.

All flowsheet results may be scaled so that a desired flow is obtained for a
product stream. To use the scaling feature, select the Output/Report
Format/Miscellaneous Data. Click Product StreamScaling on the
Miscellaneous Report Options window to access the Scale Stream Flowrate
window.

Default Data

To simplify data input, PRO/II supplies default options and values wherever
practical. Default values supplied by PRO/II are printed in black in a data entry
field with a green border, or in the case of linked text, in green. For example, the
default number of iterations for a column unit operation using the IO method is
supplied as 15. Entries which you must always supply are indicated with a color
red because they have no default values.

While you do not need to replace a default entry to satisfy the input requirement
for PRO/II, default data should be inspected carefully to ascertain that they meet
your requirements. When you replace a default value, the border color for the
data entry field changes to blue, indicating that you have supplied this value. For
linked-text strings, the color of the linked text is also changed to blue, indicating
that you have replaced the default value.

28 PRO/II USER GUIDE JUNE 2006


Optional Data

Optional data, which are displayed in black, are data or options not specifically
necessary for the unit operations to proceed. For example, the Description entry
is optional for all unit operations. A reboiler is optional for the Column unit
operation, since the calculation requirements may also be satisfied by a vapor
feed to the bottom tray of the column.

Data options which do not apply to a particular combination of input data appear
in the color gray, and are not available for data entry. For example, when the
kettle reboiler option is selected for a column reboiler, the data entry fields for a
thermosiphon reboiler are colored gray.

Chapter 2 SIMULATION BASICS 29


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30 PRO/II USER GUIDE JUNE 2006


Chapter 3
Managing PFD Files
This chapter describes how to open, save, close, delete and copy simulation
files. In addition, this chapter outlines how to import a PRO/II keyword input file or
export a flowsheet.

Opening a New Simulation

When you start PRO/II, the program does not automatically bring up a new,
untitled simulation.

Note: If you want PRO/II always to open with a new simulation, select
Options/New File on Startup from the menu bar.

To open a new simulation:


Choose File/New. . . from the menu bar. PRO/II clears the main window
for a new simulation and opens the initial viewport window, View 1.

Figure 3-1: PRO/II Main Window

Chapter 3 MANAGING PFD FILES 31


Opening an Existing Simulation

You can open any previously saved simulation for modification, viewing or
printing. PRO/II opens the flowsheet file and its supporting PRO/II database files.

To open an existing simulation:


Choose File/Open... from the menu bar. PRO/II displays the Open
Simulation window.

Figure 3-2: Open Simulation Window

Type or select the name of the simulation file.


Click Open or press <Enter>. PRO/II displays the simulation in the PFD
main window.

Note: PRO/II 7.x provides a file converter for import of PRO/II 4.x files with the
exception of Add-On Module files.

Saving the Current Simulation

Before you close a simulation, you should save it. You may also want to save the
simulation periodically while creating it.

32 PRO/II USER GUIDE JUNE 2006


To save the current simulation:
Choose File/Save from the menu bar. If you have not previously saved
this simulation, PRO/II displays the Save As window.

Note: PRO/II 5.x automatically compresses the three PRO/II database files
(*.pr1, *.pr2, *.pr3) and the simulation flow diagram file (*.sfd) into a single *.prz
file. Beside reducing the size of stored files, PRO/II file compression assures that
a complete set of files for each simulation has been saved.

Figure 3-3: Save As Dialog

Type a name for this simulation.


Click Save or press <Enter>.

Note: The PRO/II Autosave functionality automatically creates a backup file at


user-specified intervals from which recovery can be made. If you close or exit the
simulation without saving, this backup file is deleted. Select Options/Simulation
Defaults/Autosave from the menu bar to access the Autosave Options window.

Saving a Simulation to Another Name

You can save a simulation to another name. Changes you made to the
simulation since the last save are saved as part of the simulation, under its new
name.

Chapter 3 MANAGING PFD FILES 33


Note: If youve made changes to a simulation and dont want to alter the original
simulation, but do want to keep the changes, use Save As.

To save the current simulation to another file name:


Choose File/Save As... from the menu bar.

PRO/II prompts you for a new file name.

Type a name for the simulation.


Click Save or press <Enter>.

PRO/II appends a .PRZ extension to the filename.

Closing a Simulation

You should save a simulation before closing it, although PRO/II will prompt you
to save changes for an existing simulation.

To close a simulation:
Choose File/Close from the menu bar.

If you close a simulation without first saving the simulation files, you lose any
changes you made to the simulation since the last save.

Deleting a Simulation

You can delete any simulation except the current (active) simulation at any time.

To delete a simulation file:


Choose File/Delete... from the menu bar. PRO/II displays a list of existing
PRO/II simulation files.

34 PRO/II USER GUIDE JUNE 2006


Figure 3-4: List of Files

Type or select the name of the file you want to delete. (You may not
delete the current simulation.)
Click Open or press <Enter>. PRO/II deletes all files associated with this
simulation.

Copying a Simulation

You can copy all files associated with a simulation (one flowsheet and three
database files) to a target simulation you name. You can copy to new or existing
file. If you copy to an existing file, PRO/II verifies if you want to overwrite the
existing file.

To copy a simulation file:


Choose File/Copy... from the menu bar.

Chapter 3 MANAGING PFD FILES 35


Figure 3-5: Copying Files

Select the name of the file you want to copy from the file selector. (You
may not copy the current simulation.)
Enter a name for the copy (target).
Click Open or press <Enter>.

PRO/II copies all files associated with the simulation.

Note: There may be as many as 17 separate files associated with a single


simulation problem. These are described in Table 3-1.

36 PRO/II USER GUIDE JUNE 2006


Table 3-1: PRO/II Simulation Files
File Extension Description

*.pr1, *.pr2, *.pr3 PRO/II database files

*.sfd Graphics file

*.prz Compressed files containing *.pr1,


*.pr2, *.pr3 and *.sfd files

*.out Main output file

*.ot1 Component, calculation sequence,


recycle loops/streams output data

*.ot3 Equipment/streams output data

*.sr1 Input source listing

*.ix3 Output index

*.hs2 Calculation history

Keyword input file


*.inp
*.plt Plots saved in the plot display window

*.txt Stream property table or plot (saved in


ASCII format)

*.csv Stream property table or plot (saved in


tabular format)

*.clp Graphics saved in Clipboard format

*.prc Temporary procedure file created and


removed by PRO/II. Only remains if
there is an abnormal termination.

Importing a PRO/II Keyword Input File

You can import an existing PRO/II keyword input file into the PRO/II graphical
user interface and then execute the simulation problem just as if you had entered
the problem using the PFD graphical main window. PRO/II automatically
converts the specified keyword input file into a flowsheet and displays it in the
PFD window.

Chapter 3 MANAGING PFD FILES 37


Note: In the previous versions, PFD layout was retained within the *.prz file. In
the current version, *.sfd file will be generated, when a simulation (PFD) is saved
and exported. After the generation of *.sfd file, users can restore the PFD layout
using *.inp file.

To import a PRO/II keyword input file:


Choosing File/Import from the menu bar.

PRO/II displays a list of existing keyword input files.

Figure 3-6: List of Files

Type or select the name of the keyword file that you want to import.
Click Open or press <Enter>.

PRO/II converts the selected keyword input file into a flowsheet and displays it in
the PFD main window automatically.

Keyword Features without PRO/II GUI support

The RESTART feature is not supported by the graphical user interface in this
version of PRO/II. You will not be allowed to import keyword files that contain this
feature.

38 PRO/II USER GUIDE JUNE 2006


If a RESTART keyword is detected upon import, you will be reminded that only
the Run Batch feature of PRO/II may be used with these keyword input files.
See Chapter 10, Running and Viewing a Flowsheet, for information on running
keyword files in Batch mode.

Keyword Features that can be imported into PRO/II in Run-Only Mode

Certain keyword features are not fully supported by the graphical user interface
of PRO/II. However, if one of these unsupported features is detected, you will be
allowed to import the keyword file, however the GUI interface will operate in the
Run-Only mode. Such unsupported keywords include:
BVLE Data
Stream Report Writer
Hydrate Unit Operation
HEXTRAN Property Data Generator.

If you attempt to import a keyword input file that contains PRO/II program
features not supported by the graphical user interface, the unsupported features
will be automatically listed in a status window. You have the option to save or
delete the unsupported features. If you choose to save the unsupported features,
PRO/II will run the file in Run-Only Mode.

In Run-Only mode, you can:


Review and modify the PFD graphic image. You may move unit
operation icons and streams around to improve the appearance of your
PFD.
Add drawing elements to the PFD.
Add stream property tables to the PFD.
Have access to all the capabilities on the Run palette (perform all
interactive execution functions available on the Run palette for both
supported/unsupported units, review the calculated results on the PFD
for all streams and supported/unsupported units, generate output reports
for all features, generate plots for supported features only).
Export the flowsheet and stream property table information to other
Windows applications.
Edit the keyword file, reimport, and rerun (without leaving PRO/II).
Use the stream flash icon.

In Run-Only mode, you cannot:


View simulation data with the data entry windows. This includes
Component and Thermodynamic data. Double-clicking on a unit
operation or stream will cause a short warning message to be displayed.

Chapter 3 MANAGING PFD FILES 39


Perform any input mode functions, including changing the calculation
sequence. All buttons and menu options that access simulation data will
be disabled.
Perform any of the following functions: adding/deleting units,
adding/deleting streams, and reconnecting streams.
Export the PRO/II keyword input file.

If you attempt to import a keyword containing an unsupported feature, the


following message window will be displayed:

Figure 3-7: Unsupported Features Warning Window

If you click Yes, a message window similar to the following will be displayed:

Figure 3-8: Flowsheet Status Window for Unsupported Features

Once you close the message window, the interface will be placed to the Run-
Only mode as illustrated in Figure 3-9.

40 PRO/II USER GUIDE JUNE 2006


Figure 3-9: PRO/II in Run-only Mode

Click Run on the Run palette.

Once the flowsheet has been solved, you may double-click a unit or stream to
view the results.

Exporting Simulation Data to a PRO/II Keyword File

You can export an existing PRO/II simulation flowsheet to a keyword input file as
follows:

Choose File/Export from the menu bar. PRO/II displays the Export
window which lists the data export options.

Note: In the current version, *.sfd file will be generated, when a simulation (PFD)
is saved and exported. After the generation of *.sfd file, users can restore the
PFD layout using *.inp file.

Chapter 3 MANAGING PFD FILES 41


Figure 3-10: Available Data Export Options

Choose the Simulation Data to Keyword File option.


Click OK.

PRO/II converts the current simulation flowsheet data into a PRO/II keyword
input file in ASCII format. The name of the keyword file will be YYY.INP, where
YYY.PR1 is the name of the simulation flowsheet PRO/II database file.

Simulation Data to Keyword File

This selection opens a special Save As dialog window that allows you to export
the input data of the simulation to an ".inp" keyword input file. Navigate to the
destination drive and directory of your choice using the Save In: field. Enter the
name of the output file in the File Name: field. Press the Save button to complete
the operation.

42 PRO/II USER GUIDE JUNE 2006


The exported keyword file then may be imported into any compatible version of
the PRO/II program to rerun the simulation, even on another computer. Keyword
files also are a very compact way to archive the data. Note that the keyword file
contains all the appropriate data sections (General, Thermodynamics, etc.).

In v6.0 and later, the "Simulation Data to Keyword File" option is expanded to
include check boxes to control exporting stream and column solution data to the
keyword file.

If output data exists, even if the solution is unconverged, then the two "
Include" check boxes are enabled. If the Run command has not been executed
since creation or since the last time "Restore Input Data" has been executed,
then these checkboxes are disabled.

Test for Convergence

When the user selects either or both of the "Includes", upon "OK" the first thing
that PRO/II must do is test for convergence. If the solution is in an unconverged
state then PRO/II throws up a message box to warn the user that the data being
written to the keyword file is unconverged.

Clicking on "Yes" will continue to the file name selection common dialog. "No"
will return the user to the Export window.

Note: Beginning with PRO/II version 5.5, exported flowsheets now write all unit
operations in the flowsheet to the keyword file. In the past, for keyword input files
that had a User-Defined Sequence List, only unit operations listed in the
Sequence List were exported.

This change is necessary to support the new Included/ Excluded functionality.


PRO/II now generates a SEQUENCE statement with a list of Available Unit
Operations that excludes unit operations marked excluded at the time of export.
Additionally in these instances, PRO/II writes a warning into the keyword file
advising that the list of unit operations and the SEQUENCE statement do not
match. These files may cause input processing problems if read into earlier
versions of PRO/II.

Using the Spreadsheet Tools

The Tools/Spreadsheet menu item can be used to start a spreadsheet tool. The
list of currently installed tools will appear in a side menu.

Spreadsheet tools are Excel template files and macros that can read information
in the PRO/II simulation database to generate reports or perform additional on-

Chapter 3 MANAGING PFD FILES 43


the-spot calculations. They can also update data in the simulation database itself
using data from an Excel spreadsheet.

Note: You must have Microsoft Excel installed on your system to Use these
tools.

PRO/II comes preinstalled with some default spreadsheet tools. They can be
used to create tables of stream properties or component flowrates or generate a
distillation report.

Exporting the Flowsheet Drawing to the Clipboard

You can export part or all of the flowsheet drawing to the Clipboard. You can
then paste this drawing into other Windows applications.

To export the entire flowsheet drawing to the Clipboard:


Choose File/Export from the menu bar. PRO/II displays the Export
window (Figure 3-10).
Choose the Flowsheet Drawing option.
Click OK.

To export one page of the flowsheet to the Clipboard:


Select the page to export by clicking on its edge on the PFD.
Choose File/Export from the menu bar. PRO/II displays the Export
window (Figure 3-10).
Choose the Selected Page of Flowsheet Drawing option.
Click OK.

Exporting Stream Property Table Data

You can export the information in a stream property table to an ASCII file for
importing into spreadsheet and word processing applications.

To export data from a stream property table:


Select the stream property table to export on the PFD.
Choose File/Export from the menu bar. PRO/II displays the Export
window (Figure 3-10).

44 PRO/II USER GUIDE JUNE 2006


Choose the Stream Property Table option.
Click OK. The Export File Filter window will be displayed (see Figure 3-11).
Enter a name for the Output File.
Select the desired file format (tab-delimited or comma-delimited) from the
Save File as Type drop-down list box.
Click OK.

Figure 3-11: Export File Filter Window

PRO/II then generates the ASCII file. To import this file into your spreadsheet or
word processing program, follow the instructions included with that application.

Copying Stream Property Table Data to the Clipboard

You can copy the information in a stream property table to the clipboard. This
table can then be pasted into any other Windows application.

To copy a stream property table to the Clipboard:


Select the stream property table on the PFD.
Choose Edit/Copy from the menu bar.

Chapter 3 MANAGING PFD FILES 45


Copy/Paste Stream Data in an Excel Sheet

Use this option to copy and paste the stream data to and from an Excel sheet.
This will enable the user to enter and analyze the data with much ease.The
feature has been implemented to all dialog boxes, where the data is represented
in XY grid. XY grid has the following properties:

The grid origin is numbered 0.0.


The X and Y axis divide the grid into 4 quadrants.
Display any grid variable as a distinct value per cell or smoothly varying.
No duplicate values are allowed.

Note: Ctrl+C, Ctrl+V, Ctrl+X can be used a shortcut to COPY, PASTE and CUT
respectively.

Exporting the PFD to an AutoCAD or PostScript File

You can export your flowsheet drawing as an AutoCAD .DXF or Encapsulated


PostScript (.EPS) file:

Choose File/Export from the menu bar. PRO/II displays the Export
window (Figure 3-10).
Choose the Flowsheet to AutoCAD .DXF or Flowsheet to Post-Script
option.
Click OK. The Save As window appears.
Enter a name for the .DXF or .EPS file.

46 PRO/II USER GUIDE JUNE 2006


Chapter 4
Building a Flowsheet
This chapter describes how to construct a flowsheet. It begins by describing the
various defaults that may apply to your simulation on a global, simulation, or unit
level. This chapter also includes instructions for placing unit operations,
connecting units, and drawing objects that enhance the presentation of your
flowsheet without affecting calculations.

Setting Simulation Preferences

PRO/II enables you to set global defaults for problem descriptions information,
units of measure and thermodynamic systems. These global defaults apply to all
simulations unless you specifically override them either for a particular simulation
or unit operation.

On a simulation level, you can set problem-specific input and output units of
measure defaults. Simulation level settings override global defaults. In addition,
you can change units of measure settings for a specific unit. This setting
overrides both simulation and global defaults.

Setting Problem Description Global Defaults

The Problem Description Information (Project Identifier, Problem Identifier, User


Name, Date, Site) appears on each page of a results printout as a heading and
the Problem Description itself appears on the first page. All simulations use the
global problem descriptive information unless you override the defaults for a
particular simulation.

To set problem description global defaults:


Choose Options/Simulation Defaults from the menu bar.
Choose Problem Description. The Global Default for Problem Descriptive
Information window appears.

Chapter 4 BUILDING A FLOWSHEET 47


Figure 4-1: Global Default for Problem Descriptive Information

Complete the window.


Click OK.

Overriding the Global Default Problem Description

Before laying down your flowsheet, you may want to update the problem
description for the current simulation. PRO/II uses the global defaults for all
simulations, unless you specifically override the data for a particular simulation.

To override the global default problem definition:

Click Problem Description or choose Input/Problem Description from


the menu bar. The Problem Descriptive Information window appears.

You can enter up to ten problem description lines (80 characters each), that will
appear on the first page of a results printout.

Setting Units of Measure Global Defaults

By default, PRO/II uses the English units of measure set for all input data and for
output reports. These defaults apply to all new simulations. You can override the
default set for either input data or output reports (or both) for all new simulations.
PRO/II maintains a library of units of measure sets that you can select from and
add to.

48 PRO/II USER GUIDE JUNE 2006


To set the unit of measure global defaults:
Choose Simulation Defaults from the Options menu.
Choose Units of Measure. The Default Sets of Units of Measure window
appears.

Figure 4-2: Global Units of Measure Sets

Select the desired default units of measure set for entering simulation
data. The default choice is ENGLISH-SET1, i.e., the data input will be in
English units.
Select the desired default units of measure set for generating the first
output report. The default choice is Same as Input, i.e., the first output
report will be printed in the default English units.

If any choice other than the default is selected, the second output report will no
longer be available, and the list-box for selecting the alternate units of measure
set for the second output report will be disabled.

Select the desired default units of measure set for generating the second output
report. The default choice is None, i.e., no second output report in alternate units
will be generated.

Setting Units of Measure Simulation Defaults

PRO/II sets English units as the default for units of measure. You can override
this default, setting the global units of measure for all new simulations. In
addition, you can override the default units of measure for a particular simulation
problem.

Chapter 4 BUILDING A FLOWSHEET 49


To set the units of measure for the current simulation:

Click Input Units of Measure or choose Input/Units of Measure from


the menu bar. The Default Units of Measure for Problem Data Input
window appears.

Figure 4-3: Default Units of Measure for Problem Data Input Window

Select different dimensional units for data input for each individual
category or choose Initialize from UOM Library... to automatically fill in
the defaults from another set.
Click Standard Vapor Conditions... to enter the Problem Standard Vapor
Condition window. The default temperature and pressure basis are
shown in the data entry fields and may be replaced or the standard vapor
volume per mole may be replaced, not both. PRO/II default values are:

Temperature Pressure Vapor Volume

English 60F 14.696 psia 379.48 ft 3 /lbmol

Metric 0C 1.0332 kg/cm2 22.414 m3 /kgmol

SI 273.15 K 101.32 kpa 22.414 m3 /kgmol

50 PRO/II USER GUIDE JUNE 2006


The current atmospheric pressure (Pressure Gauge Basis) is shown in a data
entry field and may be replaced with another value as desired. The PRO/II
default value is 14.696 psia or the metric equivalent.

Click TVP and RVP Conditions... to select the Problem TVP and RVP
Conditions window. The temperature for true vapor pressure
specifications may be replaced in this window. The PRO/II default for
TVP calculations is 10F. The calculation method for Reid vapor
pressure may be selected in a drop-down list box on this window.
Choices are:
API Naphtha (the default)
API Crude
ASTM D323-73
ASTM D323-82
ASTM D4593-91
ASTM D5191-91
ASTM D323-94

Click OK .

Units of Measure Library

A library of dimensional unit sets which may be used for data entry or report
writing is maintained with this feature. To add a new set to the library or to edit an
existing set:

Select Options/Units of Measure List from the menu bar.

The Units of Measure Library window appears and may be used to create, copy,
edit, rename, and delete dimensional unit sets. The Units of Measure Set Name
and Description list box contains the names of the dimensional unit sets currently
in the library. The program provides three initial dimensional unit sets: English
(the default), Metric, and SI.

To create a new set:


Click Create... on the Units of Measure Library window to get the Create
Units of Measure Set window.

Chapter 4 BUILDING A FLOWSHEET 51


Figure 4-4: Units of Measure Library

Supply a name for the new set in the data entry field provided, and select
the basis for the set with the appropriate radio button: English, Metric, or
SI.

Figure 4-5: Create Units of Measure Set Window


Click OK to continue.

The units for the standard dimensional unit sets in PRO/II are assigned to the
new set and the edit feature may be used to customize the set.

Note: An alternate way to create a new set is to highlight an existing set in the
Units of Measure Set Name and Description list box and click Copy on the Units

52 PRO/II USER GUIDE JUNE 2006


of Measure Library window. The name for the new set is then entered in the
Copy Units of Measure Set window. The Edit feature may be used to customize
the set.

To delete, rename or edit a set:


Select the set in the Units of Measure Set Name and Description list box.
Click the Delete, Rename, or Edit button on the Units of Measure Library
window.

Editing the Dimensional Unit Sets for Output Reports

A dimensional unit set for output reports may be edited in two places in PRO/II:

1. Library sets are edited with the Edit... feature in the Units of Measure Library
window.

2. The set being used for the current problem is edited in the Default Units of
Measure of the Problem Output Report which is accessible from the PFD main
window by:
Selecting the Output menu on the menu bar.
Selecting the Report Format from the Output menu.
Selecting Units of Measure from the Report Format menu.Editing of the
dimensional items is identical for these two windows.

The dimensional unit set for the output report is initialized from the global set, as
previously explained. However, a different set may be chosen from the units of
measure library while in the Default Units of Measure for Problem Output Report
window. To use a different dimensional unit set:

Click nitialize from UOM Library... The Initialize Units of Measure from
UOM Library window appears.
Select the desired set from the drop-down list box.
Click OK to continue. This set now becomes the output report set. The
newly selected output report set may be edited in this window as desired.
The edited set is saved with the problem.

The Print Option for output reports may also be selected using the Output
Report(s) to be Printed drop-down list box where options are:

One Output Report in Input Units (the default): When this option is selected,
an output report based on the units of measure used for the problem data input
will be generated. The currently specified input units of measure will be displayed
for informational purposes, but they cannot be changed. With this option, the

Chapter 4 BUILDING A FLOWSHEET 53


output units of measure can only be changed by selecting the Units of Measure
option from the Input menu.

One Output Report in Output Units: When this option is selected, an output
report based on the output units of measure specified will be generated. The
currently specified output units of measure will be displayed, and they can be
changed if desired.

Two Output Reports, one in Input Units, one in Output Units:


When this option is selected, two output reports will be generated, one each,
based on the input and specified output units of measure will be generated. The
currently specified output units of measure will be displayed, and they can be
changed if desired.

For the second and third cases discussed above, the displayed output units of
measure set can be copied from the specified input units, or initialized from one
of the units of measure sets stored in the units of measure library.

To copy the input units of measure set to be used for the output report, or
to reset the explicitly specified output units to the previously specified
input units:

Click Copy from Input UOM on the Default Units of Measure for Problem
Output Report window.
Click OK to continue.

To initialize the output units of measure set from a units of measure set
stored in the units of measure library:

Click Initialize from UOM Library... on the Default Units of Measure for
Problem Output Report window.
Click OK to continue.

If the results of a previously executed simulation must be printed in a different set


of dimensional units, it is only necessary to select the required units through this
feature and generate a new report. The entire simulation need not be executed
from the start just to obtain the output results in a different set of dimensional
units.

54 PRO/II USER GUIDE JUNE 2006


Setting Thermodynamic System Global Defaults

To set the thermodynamic system global defaults:


Choose Simulation Defaults from the Options menu.
Choose Thermodynamic System. The Global Default Thermodynamic
System window appears.

Figure 4-6: Global Default Thermodynamic System Window

Complete the window.


Click OK .

Note: This global default will not become effective until the next time File/New is
selected.

Setting General Drawing Defaults

PRO/II allows you to change the appearance of your workplace through the
General Drawing Defaults window. You can set the snap and move tolerances,
zoom and pan increments, the PFD palette icon, icon fill, unit snapping, and
delete confirmation. The defaults, shown below in Figure 4-7, are appropriate for
most scenarios and you may never need to make changes in this window.

Chapter 4 BUILDING A FLOWSHEET 55


To make changes to the general drawing defaults:
Choose Options/Drawing Defaults/General... from the menu bar.

Figure 4-7: General Drawing Defaults Window

Changing Delete Confirmation

By default, PRO/II prompts you to confirm each delete operation. You may want
to change this default setting.

To turn delete confirmation off:


Within the General Drawing Defaults window, uncheck Confirm Deletes
to turn the option off.

Setting Global Flowsheet Tolerances

Use this option to identify the acceptable margins of error and criteria for
satisfying certain numerical methods. Some flowsheet tolerances, such as the
tolerance for flash calculations, are internal and are not user-definable. The
default flowsheet tolerances are satisfactory for most problems.

56 PRO/II USER GUIDE JUNE 2006


To set the tolerance for this flowsheet:
Choose Input/Flowsheet Tolerances on the menu bar.

Figure 4-8: Default Unit Specification Tolerances

Placing a Unit on the Flowsheet

The PRO/II main window is your drawing board. PRO/II supplies a floating PFD
palette and drawing objects that help you draw your problem quickly.

The PFD palette shows icons for each unit operation that you can select to place
on the flowsheet. The PFD palette appears automatically when you open a new
or existing file, or when you import a keyword file.

To close or open the PFD palette:

Click Palette on/off , or select the View menu on the main PRO/II
window. Check the Palettes/PFD option on or off.

Chapter 4 BUILDING A FLOWSHEET 57


Selecting a Unit from the PFD Palette

To select a unit icon and place it on your flowsheet:


Choose the icon from the PFD palette (see Chapter 9 for unit
descriptions).
Position the cursor where you want the unit icon to appear and click the
left mouse button.

Figure 4-9: Placing a Unit

Snapping

When connecting two units with a stream PRO/II will adjust or snap the unit
icon positions to straighten the connecting stream. By default, units you add to or
move in the PFD main window snap to an invisible grid. You can turn grid
snapping off.

To turn grid snapping off:

Choose Drawing Defaults from the Options menu.


Select General.
Select Unit Snapping. The disappears from the Unit Snapping check
box.

58 PRO/II USER GUIDE JUNE 2006


Placing Multiple Unit Icons

You can place a series of unit icons in succession.

To place more than one unit at a time:


Select the desired unit from the floating PFD palette.
Press <Shift>, and while holding down <Shift>, click on the PFD main
window to place the icon.
While still holding down <Shift> click on the PFD main window to place
the second icon.
Repeat for each additional placement of this icon.

Canceling Unit Placement

To cancel unit placement:


Click the right mouse button.

Deleting a Unit

To delete a unit already on the flowsheet:


Click on the unit icon you want to delete.
Click delete on the toolbar, or press <Delete>, or click the right
mouse button and select Delete.

Relabeling a Unit

PRO/II automatically labels each unit icon you place on the PFD main window.
You can change the label for a unit by modifying the label on its data entry
window. By default, the label consists of a character and a one-digit auto
incrementing number.

To relabel a specific unit:


Double-click on the unit you want to rename. The data entry window for
that unit appears.

Chapter 4 BUILDING A FLOWSHEET 59


Figure 4-10: Unit Data Entry Window

Type over the default name for Unit.


Click OK.

Drawing Streams

Streams mode is used to lay out the connections between units and feed and
product streams. The product ports for each unit automatically appear when you
depress the Streams button. Required product ports are red, while optional
product ports are green. For some unit operations, an entire side of the unit will
be red or green denoting multiple connections to that port.

To use the Streams mode or display ports:

Select Streams on the PFD palette.

60 PRO/II USER GUIDE JUNE 2006


Figure 4-11: Streams Button Down

The cursor changes to an arrow with a small S to indicate Streams mode. PRO/II
displays the product ports for each unit in the layout. To display feed ports,
depress the left mouse button while the Streams button is depressed.

Drawing Feed Streams

To draw a feed stream:


Click on an unoccupied area of the PFD main window.
Click the mouse on the feed port you want the incoming stream
connected to.

Drawing Product Streams

To draw a product stream:


Click the left mouse button on a product port.
Click the left mouse button again where you want the stream to end.

Chapter 4 BUILDING A FLOWSHEET 61


Drawing a Connection

To connect units:
Click the left mouse button on a port to anchor or start a stream. The
ports and port colors for some unit operations change depending on the
port you selected.
Click the mouse again at the other unit you want to connect. PRO/II
draws an orthogonal line to connect the ports.

Figure 4-12: Feed, Product, and Connection Streams Layout

Canceling a Connection

To cancel a stream connection:


Click the right mouse button or press <Esc>.

Changing a Connection

62 PRO/II USER GUIDE JUNE 2006


To change a connection:
Click the end (port) of the stream and hold down the mouse button.
Drag the end of the stream to a new port.
Release the mouse button.

Connecting Streams When One Unit is Not Visible

In order to complete a stream connection, the ending unit for the stream segment
must be visible in the PFD main window. You may open another viewport window
of the same simulation and move to the end port you wish to view. Alternately,
you can also use the scroll bars, the Pan View window, Search for Unit, or
Search for Stream tool to display the end port.

Labeling a Stream

PRO/II automatically labels each stream you place on the PFD main window. By
default, the label consists of an S followed by an auto incrementing number. You
can change the label for a stream by changing the label on its data entry window.

To relabel a stream:

Double-click on the stream you want to relabel. The Stream Data window
appears.
Type over the default name for Stream.
Choose OK.

This stream will now show the new label; other streams retain the original
labeling scheme.

Moving Streams

You can change the route of the stream between two connections whenever you
wish.

To move a stream:
Click on the end of the stream you want to move.

Drag the stream to the new location.

Release the mouse button to drop the stream in place.

Chapter 4 BUILDING A FLOWSHEET 63


Rerouting Streams

As you add new connections, PRO/II automatically performs a stream route


calculation. When you move a stream or a unit operation icon, this calculation
may no longer be valid. You can recalculate an unobstructed, orthogonal path for
selected streams.

To reroute a stream:
Select the stream(s) you want to reroute.
Choose Reroute from the Edit menu.

PRO/II calculates the best route for these streams and automatically reroutes
them.

Searching for a Unit or Stream

PRO/II builds two lists that identify the units and streams you have placed on the
flowsheet. The Unit List identifies each unit by name. The Stream List identifies
each stream by name.

Going to a Unit

To search for a unit:

Click Go to Unit or select View/Unit List. The Search for Unit dialog
box appears, showing the names of all units currently placed on the
flowsheet diagram.
Select the unit you want to go to. The unit appears at the center of the
PRO/II main window.

Going to a Stream

To search for a stream:

Click Go to Stream or select View/Stream List. The Search for


Stream dialog box appears, showing the names of all streams currently
placed on the flow diagram.
Select the stream you want to go to. The stream appears at the center of
the PFD.

Note: These search tools are only available on the toolbar if the Standard
Toolbar is active.

64 PRO/II USER GUIDE JUNE 2006


Changing the Flowsheet Layout

PRO/II provides a variety of layout templates that change the look of your
process flow diagram. Each template uses a different algorithm for calculating
the position of unit operations and stream connections. You do not have to
reexecute a simulation in order to change its layout.

To change the layout of your diagram:


Choose Lay Out Flowsheet from the View menu. A cascading menu
appears to the right of the View menu.
Choose one of the following layouts:
Single Line
Multi-line Type 1
Multi-line Type 2

Figure 4-13: Sample PFD

Single line format lays units in a single line from left to right.

Chapter 4 BUILDING A FLOWSHEET 65


Figure 4-14: Single Line

Drawing Freehand Objects

PRO/II provides six objects that you can place on the flow diagram, to customize
the look and increase understanding of the flow diagram without interfering with
simulation data. These objects are:
Text
Line
Polygon
Rectangle
Ellipse
Page

Entering Text

You use the text option to include notes on your drawing. Once you choose text
mode, you remain in text mode as long as you continue to choose the OK or
Cancel button on the Draw Text window; choosing Cancel exits text mode.

66 PRO/II USER GUIDE JUNE 2006


To place text:
Choose Draw/Text from the menu bar.

Figure 4-15: Draw Text Window

Enter the text you want to appear on the diagram.


Optionally, choose a font size for the text. The default is 50 pixels.
Choose OK .

Drawing Lines

You use the line option to add connected lines to the diagram without interfering
with simulation data. PRO/II provides an orthogonal polyline feature.

To draw a line:
Choose Line from the Draw menu.
Click and hold the mouse button on the PFD main window to anchor the
line.
Press <Space> to set each anchor point for drawing in a new direction.
Release the mouse button to complete your line.

To draw orthogonal connected lines:


Choose Line from the Draw menu.
Click and hold the mouse button on the PFD main window to anchor the
line.
Press <Ctrl>, and while holding down <Ctrl>, drag the cursor.
Press <Space> to set each anchor point for drawing in a new direction.
Release the mouse button to complete.

Chapter 4 BUILDING A FLOWSHEET 67


Drawing Shapes

You can draw shapes to enclose figures on a diagram without interfering with
simulation data.

To draw a polygon:
Choose Polygon from the Draw menu.
Click and hold down the mouse button on the PFD main window.
Press <Space> to each anchor point for drawing in a new direction.
Release the mouse button to complete your object.

To draw an orthogonal polygon:


Choose Polygon from the Draw menu.
Click and hold the mouse button on the PFD main window.
Press <Ctrl>, and while holding down <Ctrl>, drag the cursor.
Press <Space> to each anchor point for drawing in a new direction.
Release the mouse button to complete your orthogonal polygon.

To draw a rectangle or ellipse:


Choose Rectangle or Ellipse from the Draw menu.
Click and hold down the mouse button on the PFD main window.
Drag and release when you see the desired size rectangle.

To draw a square or circle:


Choose Rectangle or Ellipse from the Draw menu.
Click and hold down the mouse button on the PFD main window.
Press <Ctrl> then drag and release the mouse button to complete your
square.

Drawing Pages

You can divide your PFD into pages and define separate page setup options for
each page. Pages can be individually printed or copied to the clipboard (see
Chapter 3, Managing PFD Files).

To add a page:
Choose Page from the Draw menu.
Click on the PFD.

68 PRO/II USER GUIDE JUNE 2006


Drag and release the mouse button to the desired size.

The page name is automatically given as PG followed by an auto incrementing


three-digit number.

Figure 4-16: Pages

To change the page setup options:


Double-click anywhere along the page border. This brings up the Page
Setup window.
Select your page setup options.
Click OK to continue.

After you have set up a page, you can resize it or make this page one cell in a
grid of pages.

To resize the page:


Click near the page outline to highlight the page.
Click and drag the sizing box.

Chapter 4 BUILDING A FLOWSHEET 69


To move the page:
Click and drag the page outline to a new location.

To make a grid of pages:


Select the page by clicking near the page outline.
Double-click the left mouse button to display the Page Setup window.
Click on the radio button labeled Grid in the Change Page Parameters
group box.
In the Page/Grid group box, select the radio button for Multiple Pages.
Change the number of rows and columns to make a grid of pages on the
PFD. The page you started with will be the upper left cell of the grid.

The grid can be resized and moved on the PFD in the same manner as a single
page.

70 PRO/II USER GUIDE JUNE 2006


Chapter 5
Manipulating Objects
This chapter describes how to select unit icons, streams, and other objects on
the PFD main window and how to move, resize, rotate, or flip them. In addition,
this chapter describes how to edit and align text.

Selecting Objects or Groups of Objects

You can select a single object, multiple (noncontiguous) objects, or a group of


objects. Objects or groups of objects include units, streams and drawn objects.
All manipulations (delete, rotate, move) are performed on selected objects.

Selecting Multiple Objects

You can select a set of noncontiguous objects.

To select a set of individual objects:


Click on the first object.
Press <Shift>.
While holding down <Shift>, click on each object you want to include as
part of this set.

Chapter 5 MANIPULATING OBJECTS 71


Figure 5-1: Multiple Unit Selection Handles

Handles appear for the set of objects. For example, although five objects appear
to be selected as part of this set (Figure 5-1), when you move the selection, the
fourth and fifth objects (the valve and the compressor) do not move with the set
(Figure 5-2).

72 PRO/II USER GUIDE JUNE 2006


Figure 5-2: Move Multiple Objects

Selecting a Group of Objects

You can gather a group of contiguous objects by dragging a selection rectangle


around them.

To select a contiguous group of objects:


Click on an unoccupied area of the PFD adjacent to one of the items you
want to select and begin dragging the cursor by moving your mouse.
Drag the cursor until all desired objects are inside the selection rectangle
outline.
Release the mouse button to end the selection.
Handles appear for the selected group of objects.

Selecting all Objects

You can select all objects on the flowsheet with one command. Once selected,
you can then move or delete the entire selection.

Chapter 5 MANIPULATING OBJECTS 73


To select all objects on the flowsheet:
Choose Select All from the Edit menu.

Deselecting Objects

If you change your mind after selecting objects, you can reverse any selection.

To deselect or unselect all objects in the layout, do one of the


following:
Choose Select None from the Edit menu.
Click on another item or on an unoccupied area of the PFD.

Resizing an Object

You can change the height, width, or overall size of any object or a group of
objects on your flowsheet.

Changing the Size of a Selected Object

When changing the width of a group of objects, you change the absolute
distance between the objects and maintain the relative distance.

To change the size of an object:


Click and drag the cursor until the object is the desired size.
Release the mouse button.

74 PRO/II USER GUIDE JUNE 2006


Figure 5-3: Resize Column

Note: Condensers and reboilers shown on distillation or side columns are fixed in
size. They do not resize when you change the size of the column.

Restoring Unit Icon Size

If you dont like how your resized icon looks (relative to other icons and objects
on your flowsheet) you can quickly return the icon to its default size.

To restore an icon to its original size:


Choose Restore Icon Size from the Edit menu. You can also click the
right mouse button on a selected icon, and then choose Restore Icon
Size from the Icon pop-up menu.

Rearranging Objects or Groups of Objects

You can move objects to a different area of the flowsheet. You can also rotate or
flip a unit icon so it fits into the flow of your diagram.

Chapter 5 MANIPULATING OBJECTS 75


Moving Selected Objects

You can move an object to a new position on the flowsheet.

To move a selected object:


Click and drag the object or group of objects to a new position.
Release the mouse button.

Setting Move Tolerance

Move Tolerance controls the incremental distance for any object you move. The
default is 5 pixels.

To change move tolerance:


Choose Drawing Defaults from the Options menu, then General.

The General Drawing Defaults window appears.

Type the desired value over the default Move Tolerance.


Choose OK.

Rotating Selected Objects

You can rotate a selected object(s) on its axis by 90, 180 or 270 degrees.

To rotate a selected object:


Choose Rotate from the Edit menu. The Rotate degrees cascade menu
appears to the right of the Edit menu.
Choose 90, 180, or 270.

Rotating an Icon

You can also click the right mouse button on a unit icon, then choose Rotate from
the Pop-up Unit menu to display the rotation degrees.

Flipping Selected Objects

You can flip a selected object(s) horizontally or vertically to better orient the
object(s) relative to other objects of the diagram.

76 PRO/II USER GUIDE JUNE 2006


To flip a selected object:
Select an object(s).
Choose Flip from the Edit menu. The Flip options menu appears to the
right of the Edit menu.
Choose Horizontal or Vertical.

Flipping an Icon

You can also click the right mouse button on a unit icon, then choose Flip from
the Pop-up Unit menu to display the flip options.

Editing Text

You can change the text, size and or rotation of any text object you placed on the
PFD main window.

To edit text:
Double-click on the text object you want to change. The Draw Text
window appears.
Edit as desired and choose OK.

Aligning Text

You can align text in two or more text boxes to the left, right or center of the box
they are drawn in.

To align text:
Select the text you want to align (you must select at least two) by clicking
on the first text box, then click on the other box(es) while holding down
the <Shift> key.
Choose Align Text from the Edit menu. The align menu pop-up appears
to the right of the Edit menu.
Choose Left, Center or Right.

Chapter 5 MANIPULATING OBJECTS 77


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78 PRO/II USER GUIDE JUNE 2006


Chapter 6
Viewing Flowsheet Contents
PRO/II offers a variety of tools that aid you in viewing your flowsheet contents:
Horizontal and vertical scroll bars allow you to change the visible portion
of the process flow diagram in the PFD main window.
You may open additional viewport windows of your current flowsheet to
display different views of your simulation.
The Pan View window is a special feature of PRO/II that enables you to
see a thumbnail of the entire flowsheet and use a bounding box in the
thumbnail to move the visible area.

This chapter describes how to use the PRO/II scroll, pan, and multiple viewport
features to display portions of your flowsheet diagram in the PFD.

Scrolling the PFD

You can scroll the PFD left, right, up, or down using the horizontal and vertical
Scroll Bars. Both bars enable you to scroll in small or large increments or to scroll
to a general location.

Setting Scrolling Increments

You can change the actual value for the scroll increments by altering the Pan
Increment value on the General Drawing Defaults window.

Zooming

You can access the PRO/II zoom features from the View menu, using the zoom
buttons on the toolbar, or using the keyboard.

To zoom in or out, do one of the following:

Click on the toolbar.


Choose Zoom In or Zoom Out from the View menu.
Choose <PgUp>or <PgDn> to Zoom in or Zoom out the PFD.

Chapter 6 VIEWING FLOWSHEET CONTENTS 79


Zooming in on a Selected Area

You can specify the exact area of the flowsheet that you want to zoom in on.

To zoom in on a specific area of the flowsheet:

Click on the toolbar or choose Zoom Area from the View menu.
Click and drag the mouse to encompass the desired area within the
selection rectangle outline.
Release to complete the zoom area operation. The selected area fills the
PFD.

Zooming to Show the Full Flowsheet

You can quickly display the entire flowsheet in the PFD.

To use zoom to show the full flowsheet, do one of the


following:

Click on the toolbar.


Choose Zoom Full from the View menu.
Press <Home>.

Setting the Zoom Increment

You can change the increment PRO/II uses to zoom in or zoom out within the
General Drawing Defaults window. The default small zoom increment is 5 pixels
and the default large zoom increment is 20 pixels.

Opening Multiple Viewport Windows

You can open multiple viewports of a single simulation problem to display


different views of the flowsheet.

To open an additional viewport of the current simulation


problem, do one of the following:

80 PRO/II USER GUIDE JUNE 2006


Click Multiple Viewports on the toolbar or choose New View on the
Window menu.

Note: If the multiple viewports button is not displayed on your toolbar,


check the Standard menu option from the View/Toolbar menu.

Figure 6-1: Multiple Viewports

Redraw the Simulation

You can use redraw to clear extraneous lines and dots from the PFD.

To redraw the diagram, do one of the following:

Click on the toolbar.


Choose Redraw on the View menu.
Press <Shift+Home>.

Panning

Chapter 6 VIEWING FLOWSHEET CONTENTS 81


You can pan the contents of the PRO/II main window using the Pan window or
the Small Pan or Large Pan options on the View menu.

The Pan View window is a thumbprint of the entire flowsheet. A bounding box
identifies the area of the flowsheet currently visible in the PFD main window. You
move the bounding box or change its size to change how much or what portion of
the flowsheet you see in the PFD.

From the View menu, you can pan in large or small increments: up, down, left, or
right. You can change the settings for the pan increment in the General Drawing
Defaults window.

Displaying and Hiding the Pan View Window

To display the Pan View window:

Click on the toolbar or choose Pan View from the Window menu.

Figure 6-2: Pan View Window

Panning - Using the Pan View Window

82 PRO/II USER GUIDE JUNE 2006


Use the bounding box to change the visible portion of the flowsheet in the PFD
window by moving, enlarging or reducing the bounding box in the Pan View
window. The flowsheet in the PFD view changes to match the area
encompassed by the bounding box.

Moving the Bounding Box

To move the bounding box:


Click the mouse inside the box.
Drag to a new location. The area enclosed fills the PFD.

Note: For a large flowsheet, use the Pan View window to quickly switch from one
area of the flowsheet to another.

Changing the Size of the Bounding Box

To change the size of the bounding box:


Click and drag the bounding box border handle to enlarge or reduce the
bounding box. The area enclosed fills the PFD.

Panning - Using the Menu Options

You can pan the image in the PFD up, down, left, or right using the panning
options on the Zoom menu.

To pan the image a large or small amount:


Choose Large Pan or Small Pan from the View menu. The pop-up menu
appears.
Choose Left, Right,Up, or Down.

Setting Panning Sensitivity

You can change the increment PRO/II uses to pan. The default small pan
increment is 5 pixels and the default large pan increment is 20 pixels.

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Chapter 6 VIEWING FLOWSHEET CONTENTS 83


Chapter 7
Data Entry Windows
PRO/II offers a wide variety of data entry windows for entering the data
associated with your PRO/II simulation. There are a number of libraries from
which you can extract sets of data. This chapter provides an introduction to these
data entry windows.

Defining the Simulation

You can use the data entry window buttons on the toolbar or the options on the
Input menu to define the scope of the current simulation. PRO/II identifies which
units are missing data by putting a red border around the unit icon (on the
toolbar). For units that are missing product streams, the identification string for
that unit appears in red (on the PRO/II main window).

Defining the scope of the simulation involves:


Defining the simulation problem
Selecting the components for the simulation
Setting the thermodynamic methods for the simulation

Note: Chapter 8, Specifying Component, Thermodynamic and Stream Data and


Chapter 9, Unit Operations and Utility Modules provide explicit details on the use
of the data entry windows introduced in this chapter.

A summary of the Data Entry Window buttons available on the PRO/II toolbar is
provided below.

Button Menu Item Description

Problem Description Enables you to describe


the current simulation
and relate it to a specific
project.

Units of Measure Enables you to set units


of measure specific to
this simulation. Each
new simulation extracts
defaults from the default
Unit of Measure Set.

Chapter 7 DATA ENTRY WINDOWS 85


Component Selection Enables you to specify
the components and
pseudocomponents you
want to use in the
current simulation

Component Properties Enables you to supply


component properties.

Thermodynamic Data Enables you to select


thermodynamic methods
for the current
simulation.

Assay Characterization Enables you to modify


TBP Cutpoints and
characterization options
for the generation of
pseudocomponents from
Assay streams.

Procedure Data Enables you to supply


FORTRAN code for
kinetic reaction rate
calculations without the
need for compilation and
linking.

Case Study Specification Allows you to perform


studies on a base case
solution by altering
parameters selectively
and rerunning.

Reaction Data Enables you to define


reactions and provide
heat of reaction,
equilibrium, or kinetic
data for reaction sets.

Calculation Sequence Enables you to specify a


user-defined calculation
sequence.

Recycle Convergence Enables you to specify


user-defined recycle
convergence and
acceleration options.

86 PRO/II USER GUIDE JUNE 2006


Selecting Components

Use this option to select the components and pseudocomponents that you want
to include in this simulation.

To select components for use in this simulation:

Click on the toolbar or choose Component Selection on the Input


menu. The Component Selection window appears.

Figure 7-1: Component Selection

Select a component from the available lists or type the name of the
component. Each component you select appears in the List of Selected
Components box on the right side of the window.

Chapter 7 DATA ENTRY WINDOWS 87


Modifying Component Properties

You can use this option to modify fixed component properties or use the Fill from
Structures feature to fill in missing component data for library or user-defined
components.

To modify component properties:

Click on the toolbar or choose Component Properties from the Input


menu. The Component Property Modification window appears.

Figure 7-2: Component Property Modification

Selecting Thermodynamic Methods

You use the thermodynamic data option to choose the thermodynamic method(s)
for this simulation.

To set thermodynamic calculation methods for this simulation:

Click on the toolbar or choose Thermodynamic Data on the Input


menu.

88 PRO/II USER GUIDE JUNE 2006


Figure 7-3: Thermodynamic Data

You can specify a predefined system of thermodynamic calculation methods.

Select a category of predefined systems. PRO/II displays the predefined


systems for this category in the Primary Method list box.
Select a predefined system from the Primary Method list box.
Choose Add-> to define the calculation method.

Selecting Assay Data

You use this option to modify the data obtained from the selected Assay Set.

To select assay data for this simulation:

Click on the toolbar or choose Assay Characterization on the Input


menu.

Chapter 7 DATA ENTRY WINDOWS 89


Figure 7-4: Assay Cutpoints and Characterization

PRO/II always supplies the Primary TBP Cutpoint set. You can modify the
primary set or define a new cutpoint set or set characterization options.

Specifying Reaction Data

You use this option to define reactions and enter heat of reaction, equilibrium, or
kinetic data for reaction data sets.

To specify reaction data sets for this simulation:

Click on the toolbar or choose Reaction Data on the Input menu.

90 PRO/II USER GUIDE JUNE 2006


Figure 7-5: Reaction Data

Specifying Procedure Data

Use this option to create procedure blocks to calculate kinetic reaction rates. You
are able to supply FORTRAN code for the reaction rate calculations without the
need for compilation and linking.

To select procedure data for this simulation:

Click on the toolbar or choose Procedure Data on the Input menu.

Figure 7-6: Procedure Data

Chapter 7 DATA ENTRY WINDOWS 91


Specifying Multiple Simulations for Case Study

Use this option to make changes to input data and then examine the effect of
those changes on the values of calculated data or functions of calculated data.

To select case study data for this simulation:

Click on the toolbar or choose Case Study Data on the Input menu.
Check the Define Case Study box.

Figure 7-7: Case Study Specification

Setting the Problem Calculation Sequence

PRO/II performs a simulation by solving one unit operation at a time, following a


certain calculation sequence to reach the problem solution. Use this option to
specify the method to determine this calculation sequence for the current
problem.

To select calculation sequence for this simulation:

92 PRO/II USER GUIDE JUNE 2006


Click on the toolbar or choose Calculation Sequence from the Input
menu.

Figure 7-8: Problem Calculation Specification

Specifying the Recycle Convergence

You use this option to override the recycle loop sequence determined by PRO/II,
and to specify acceleration methods and convergence tolerances for individual
loops.

Note: This window is not available if you select the SIMSCI method for
Calculation Sequencing, since the loops are determined automatically by this
method.

To select recycle convergence for this simulation:

Click on the toolbar or choose Recycle Convergence on the Input


menu.

Chapter 7 DATA ENTRY WINDOWS 93


Figure 7-9: Recycle Convergence Options

Data Entry Windows for Unit Operations

The data entry window for any unit operation can be accessed by highlighting the
unit on the PFD and selecting the Input/Data Entry from the menu bar. Numerous
types of data entry devices are used to supply numeric values and select
calculation options in PRO/II, including:
Push Buttons, Radio Buttons, Check Boxes, Edit Fields, Spin Buttons, Standard
List Boxes, Drop-Down List Boxes, Grid and X-Y Grid, Combo Boxes, Drop-
Down Combo Boxes, Linked Text and Notes.

Most main data entry windows provide Help, Overview, and Status buttons that
enable you to access different levels of help text. In addition, some main data
entry windows (and some subordinate windows) provide UOM, Define and
Range buttons. Grayed buttons indicate that the feature is currently unavailable.

Button Description

Displays context-sensitive help for the


active data entry field, or for
the window itself (if there is no active
field).

94 PRO/II USER GUIDE JUNE 2006


Displays the main help window for the
data entry window.

Displays the results of the data


consistency checks performed for
the main window after you choose OK.

Selects a units of measure set for the


selected data entry field.

References one stream or unit


parameter value to another stream
or unit parameter.

Displays the valid range of values for


the active data entry field.

Displays the notes, associated with the


unit.

Grids and the X-Y Grid

Grids are used to supply data in tabular form. There may be several rows of
related data entries. X-Y Grids are a special type of grid that are used to supply
data for relational curves. The two-grid columns contain an independent variable
(x) and one related dependent variable (y).

The Column Tray Hydraulics window shown below is an example of a grid.


Notice that it provides columns for the starting tray number, ending tray number,
calculation type, and entry of tray data. Each row has a numbered click button
which is used to select the row for toolbar actions. For this example, several
types of data entry devices are used in the grid.

The starting and ending tray numbers are integer edit fields, the calculation type
is a drop-down list box, and the entry of tray data is a click button, which brings
up the Column Tray Sizing window or Column Tray Rating window, depending on
the calculation type that was selected.

Chapter 7 DATA ENTRY WINDOWS 95


Figure 7-10: Column Tray Hydraulics Window

Observe that four rows are provided in the initial grid corresponding to five
sections in the column. This may be expanded by clicking a row number button
and then clicking the Insert button. A row will be added below the selected row.
When the number of rows exceeds five, a scroll bar appears at the right side of
the grid to provide access to the rows not displayed. To deselect a row, click the
number button of the previously selected row, or select a different row. To clear
data entries from a row, click the row number button and then click Reset. To
remove a row, click the row number button and the Cut button.

As another example, the Compressor Outlet Pressure Performance window


shown below contains an X-Y grid for a user-supplied compressor pressure
curve.

96 PRO/II USER GUIDE JUNE 2006


Figure 7-11: Compressor Outlet Pressure Performance Window

Notice that two columns are used for the pressure curve. The first column is the
volumetric feed rate and the second column is the corresponding outlet pressure
from the compressor. Four individual entries or cells corresponding to two rows in
the table are marked with a red border as mandatory input. Optionally, more
pairs of information may be provided. The initial grid displays four pairs of cells.
Note that each row in the grid has a numbered click button which may be used to
select the row.

The initial table may be expanded with the Insert button on the toolbar as
described in the previous example. When the number of rows in the X-Y grid
exceeds four, a scroll bar appears to provide access to rows not displayed.

A row may be deleted from the grid by clicking its number button and then
clicking Cut. To copy a row, first click its number button and then click Copy. The
row is copied into the clipboard. Next, click the row number button for the row
which will be just below the copied row. Complete the copy by clicking Paste to
insert a copy of the row from the clipboard.

Linked text

Linked text is used to input information in a sentence format. Numeric values,


mathematical operators, stream or unit names, or various options may be
supplied as linked text. Linked text may serve to access another data entry
device. The Feedback Controller data entry window containing linked text is
shown in Figure 7-12.

Chapter 7 DATA ENTRY WINDOWS 97


Figure 7-12: Feedback Controller Main Data Entry Window - Initial Display

Linked text is used on this window to define the Specification and Variable. Note
that the Parameter and value link texts are red, denoting that you must click
these strings and provide data entries. The text string the default tolerance is
green, denoting a default value.

Optionally, a different tolerance may be provided by clicking the afore-mentioned


text string to open the Specification Tolerance window, where the appropriate
radio button may be clicked to select a new tolerance type, i.e., relative
tolerance. Click OK to return to the Feedback Controller window. Notice that the
relative tolerance text string becomes blue indicating a user-supplied value.

When the value text string is clicked, a floating point entry field for the
specification value is displayed with a red border signifying mandatory input. The
value you supply is now displayed in blue numbers instead of the value text
string.

Clicking the Parameter text string retrieves the Parameter window in which the
unit or stream and its parameter are defined. The unit or stream identifier and the
parameter for the specification are now displayed in blue, replacing the
Parameter text string.

98 PRO/II USER GUIDE JUNE 2006


Figure 7-13: Feedback Controller Data Entry Window - Final Display

Chapter 7 DATA ENTRY WINDOWS 99


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100 PRO/II USER GUIDE JUNE 2006


Chapter 8
Specifying Component,
Thermodynamic and Stream
Data
This chapter describes several types of optional component, thermodynamic and
stream information which may be supplied for PRO/II. In many cases, the default
values are satisfactory and it may not be necessary for you to visit these
sections.

Component Data

General Information

PRO/II provides considerable flexibility in the definition of component data. No


limit is set on the number of components which may be used for any problem.
Furthermore, component data may originate from a variety of sources such as
SIMSCI databanks, user-prepared databanks, user-defined components, and
components derived from petroleum assay data for feed streams. Moreover, you
may stipulate a preferential search order when multiple databanks are used.

The SIMSCI databanks, SIMSCI and PROCESS, contain more than 1700
components and are adequate for nearly all simulation models. The AIChE
DIPPR databank is also available as an add-on to PRO/II. User databanks of
thermophysical data can be created, using SIMSCI LIBMGR and DATAPREP
programs, and maintained through PRO/II graphical user interface. SIMSCI
REGRESS is also fully supported in PRO/II, allowing you to carry out regression
of experimental thermo-physical data to model equations.

Selecting Library Components

You may select library components, from both SIMSCI and user-supplied
databanks, through the Component Selection main data entry window. To open
this window from the PRO/II main window:

Click on the toolbar, or select the menu bar item Input/Component


Selection. The Component Selection window appears.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 101


If you know the library access name for a component, you may enter it directly
into the data entry field. Click Add-> or press <Enter> to retrieve the component
from the component databank and add it to the List of Selected Components. If
the component cannot be located by the name you have entered, a warning will
recommend that you use the Select from Lists feature to locate the component
in the SIMSCI and PROCESS databanks:

Click Select from Lists on the Component Selection main data entry
window to open the Component Selection -List/ Search window.
Select a Component Family from the like-named drop-down list box. A
large number of component families are provided to speed the search. A
brief description is given below:

Most Commonly Used: Approximately 100 components representing all of the


pure components commonly encountered in natural gas and petroleum
processing.

Hydrocarbon Lightends: Light gases commonly reported on analysis for oil


refinery streams.

All Components: Every component in the SIMSCI and PROCESS databanks.

Families of Specific Chemical Type: Twenty families in alphabetical order:

Acids Additional Electrolyte Components


Alcohols Aldehydes
Amides Amines
Aromatic Hydrocarbons Elements
Esters Ethers
Halogenated Derivatives Ketones
Miscellaneous Naphthenic Hydrocarbons
Other Nitrogen Derivatives Paraffinic Hydrocarbons
Salts and Minerals Silicon Derivatives
Sulfur Derivatives Unsaturated Hydrocarbons

For all families listed above, except for Hydrocarbon Lightends, you may define
specific search criteria by selecting radio buttons and entering a search string.
Use part or all of the component name, alias, or chemical formula as the search
string. As components are located, transfer them to the Additions to Component
List box. When you have located all the components, click OK to return to the
Component Selection main window and to transfer the components to the List of
Selected Components.

The priority order for databanks may be defined by pushing the Databank
Hierarchy button on the Component Selection main window to access the
Component Selection Databank Search Order window.

102 PRO/II USER GUIDE JUNE 2006


This window initially displays the default search order and may be modified to
search the databanks in any order. Components are always selected from the
first databank in the search order in which they appear.

Note: The newly added libraries and databank names in TDM can be recognized
in this dialog box by Library Name:Databank Name.

Entering User-defined Components

You may want to enter a component as a user-defined component when you


wish to use a component that is not in the PRO/II library.

Enter user-defined components by clicking User-defined on the


Component Selection main window to access the Component Definition -
User Defined window.
Type in the name of the user-defined component in the Component
Name entry field.
Click OK to commit the new component name.

Note: At this point, you have only entered the name of the user-defined
component in the database. Next, you must supply the properties for the
component by the steps described below in Modifying Component Properties.

Defining Petroleum (PETRO) Components

Define PETRO components by clicking Petroleum on the Component Selection


main window to access the Component Selection Petroleum Components
window. You may define any number of PETRO components in a single visit to
this window by using the tabular input provided.

You must supply at least two of the three correlating properties, normal boiling
point, standard liquid density, and molecular weight for each component. Names
may be optionally provided or will be supplied by PRO/II as NBP XXX where XXX
is the component normal boiling point. PRO/II uses internal correlations to
estimate the third parameter, when missing.

All necessary physical and thermodynamic properties are computed from the
three correlating properties. Molecular weight is the most difficult property to
predict accurately from generalized correlations and should be supplied when
possible, for the most accurate characterization for a PETRO component.

Note: It is not possible to enter data for assay pseudocomponents (which are
based on stream assay information) with this window. All properties for
components derived from assay data are automatically defined by PRO/II. The
components are also added to the component list by PRO/II.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 103


Defining Solid Components

You can enter inputs for solid characteristics directly into PRO/II. You may
specify stream properties, the particle size distribution, and the particle
properties. PRO/II also allows you to input experimental solids solubility data.

To add a solid component to the flowsheet:

Click or select Input/Component Selection from the menu bar to


open the Component Selection window.
Click Component Phases. Ensure that the components that may be
solid have the solid phase enabled. For example, if you enter NaCl for
use in a dissolver, make sure that its component phase designation is
liquid-solid.

If the flowsheet will include unit operations that require particle size distributions
(e.g., Cyclone, Dissolver, Crystallizer), Input/Component Property Data from the
menu bar. In the like-named window, click Particle Size Distribution to open the
Particle Size Distribution for Solids window. Enter PSD cutpoints for all relevant
solid components. Particle size grades are bounded by the cutpoints that are
entered here. Grades will not be created on the open ends of the first and last
cutpoints (i.e., if the cutpoints are 10 and 20 microns, there will be one grade of
10 to 20 microns, not three grades of less than 10, 10 to 20, and greater than 20
microns).

To change the units of measure for the particle size distribution, click in any of
the Distribution Ranges entry fields to enable the UOM button in the toolbar at
the top of the window.

Deleting and Renaming Component Properties

Currently, actions on components that appear in the List of Selected


Components in the Component Selection main window are limited to deletion or
renaming of components.

To delete a component:
Highlight the name of component in the List of Selected Components.
Click Delete .

To rename a component for printout purposes:


Highlight the component.

104 PRO/II USER GUIDE JUNE 2006


Click Rename to open the Rename a Component window.
Enter the new name in the data entry field.

Modifying Component Properties

You can modify properties for any component entered through the Component
Selection main data entry window via the Component Property window. To reach
this window:

Select Input/Component Properties... from the menu bar or click on


the main toolbar.

The Component Properties window is the master navigation point for changing all
component properties.

Note: Component properties cannot be defined before the component names


have been entered.

There are three methods available for component property modification:

Method 1: Specifying Fixed Properties

Click Fixed to open the Components Properties-Fixed Properties window.


Here, you can modify fixed component properties such as molecular weight,
critical temperature and NBP. With the exception of assay components, all
components can be modified via this window. For those properties having UOMs,
all data is displayed with the UOMs of the current problem.

Starting from this window, use the appropriate button to modify other properties:

Click Critical Properties to specify critical temperature, critical


pressure, critical volume and critical compressibility factor.
Click Molecular Constants to specify properties such as Dipole
Moment, Radius of Gyration, van der Waals Area parameter and van der
Waals Volume parameter.
Click Heats of Formation to specify Enthalpy of Formation and Gibbs
Energy of Formation. In this entry, reference phase designation is a
required input. The reference phase can be vapor, liquid or solid. Vapor
phase is the default.
Click Miscellaneous Properties to specify Acentric Factor, Solubility
Parameter, Rackett Parameter, Liquid Molar Volume, Heat of
Vaporization, Heat of Fusion, Normal Melting Point, Triple Point
Temperature, Triple Point Pressure, Heat of Combustion, Gross Heating
Value, Lower Heating Value, Carbon Number and Hydrogen Deficiency
Number.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 105


For PRO/II library components, the values in the database will appear in the
various property windows. In cases where there is no library value to serve as
the default, the default displayed will be the text Missing. You may reassign
values for any of these properties.

Method 2: Specifying Temperature-dependent Properties

You may enter or override default data for properties that change with
temperature, such as density and viscosity, for the vapor, liquid or solid phases
of the pure components in your simulation. You may supply new data in the form
of tables or as correlation coefficients of one of 29 different equation types.

Click Temperature Dependent to open the Component Properties Temperature


Dependent Properties window. All the library and user-defined components from
the current problem are displayed. To enter or modify data for a property of a
component, click on the corresponding push button for that component. For
properties that may apply to more than one phase, you will first be required to
select the phase for which you are to supply data in the Component Properties
Phase window,

Click VP to enter or modify liquid or solid vapor pressure data


Click H to enter or modify vapor, liquid or solid enthalpy data
Click Cp to enter or modify solid heat capacity data
Click to enter or modify latent heat data
Click to enter or modify liquid or solid density data
Click to enter or modify vapor or liquid viscosity data
Click to enter or modify vapor, liquid or solid conductivity data
Click to enter or modify liquid surface tension data

In the Component Properties - Data Source Selection window, choose the


method of data entry. You may enter data either in tabular form or as coefficients
for one of as many as 29 equations.

If you choose the Correlation Coefficients option, you may display the form of the
equation by selecting the appropriate Correlation Number in the like-named drop-
down list.

Select one of the correlations and supply coefficients as required.If the


form of the equation is logarithmic, you may select the base of the
logarithm. You may change the units of the equation and may impose
maximum and minimum temperatures of applicability.

Note: The full range of equations can be found in the online PRO/II Reference
Manual accessible via the Help system. If you choose an equation that is not

106 PRO/II USER GUIDE JUNE 2006


standard, a message to that effect appears, and the border of the drop-down list
box will be yellow.

If you choose the Tabular Data option, the Component Properties Tabular Data
window appears.

Enter temperature and property data. You must enter at least one data
pair.

PRO/II and TDM Integration

Physical and Thermodynamic data of a chemical component has a profound


impact on the design and operation of a unit operation in a process industry.
Previous versions of PRO/II use component information from DATAPREP and
LIBMGR database. PRO/II in turn retrieves data from these libraries through
library names and alias.

LIBMGR For managing user-defined pure component and binary


libraries
DATAPREP For reviewing and modifying pure component data
REGRESS For generating pure and binary interaction parameter data
from experimental information
Reporting For publishing and archiving component and binary data

Current version of PRO/II has been integrated with Thermodynamic Data


Manager (TDM). This integration will provide the following advantages to all
PRO/II users.

PRO/II will pick up the data from both TDM-defined libraries and edlib.lb.
PRO/II users can launch TDM GUI in different modes to define new
library/Databank.
PRO/II users will now use DATAPREP and REGRESS functionality
within TDM, which is already a part of TDM program.

Apart from the above, working with TDM will provide the following advantages to
PRO/II users.

TDM allows the user to build a customized library containing pure


component data as well as unary and binary thermodynamic parameters.
TDM allows you to generate and display a variety of temperature-
dependent graphical plots of tabulated data results.
Availability of multiple databanks.
TDM encompasses DATAPREP and REGRESS functionality.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 107


In the keyword input file, the newly added libraries and databank names in TDM
can be recognized by Library Name:Databank Name.

In Component Selection and Thermodynamic Data - Databank search order


dialog box, the newly added and existing libraries and databank names in TDM
can be viewed. Users can select and add the libraries for the current simulation.

Note: Use Thermo Data Manager users guide for detailed explanation on its
functionalities.

Method 3: Specifying Fill From Structure

The Fill from Structure button opens the Components Properties Fill from
Structure window. The Available Components list on the left side contains library
and user-defined components from the current problem. You may add or remove
components to be filled from structure to the like-named list on the right. Click
to have the properties of the selected components filled from structure.

PRO/II predicts properties from structure using established correlations and


techniques. Joback (1985) significantly expanded the work of Lyderson (1955) in
this area providing a group contribution method for the prediction of critical
properties, boiling point, freezing point, ideal gas capacity, enthalpy and Gibbs
heat of formation. Joback used a4 large database of components to statistically
determine group parameters for 42 different functional groups. SIMSCI has
extended this work to include several missing parameters.

To complete the Fill from Structure procedure, click UNIFAC Structures on the
Component Properties window to display the like-named window. A UNIFAC
Structure entry is mandatory for all components for which Fill from Structure has
been requested. Click UNIFAC Structures adjacent to the component of
interest to open the Define UNIFAC Structure window where you may choose
from families of components or from the UNIFAC group number directly.

108 PRO/II USER GUIDE JUNE 2006


Assay Data

General Information

For many petroleum-based streams, the composition is not fully known in terms
of defined components. These stocks must be characterized by
pseudocomponents for which the necessary physical and thermodynamic
properties have been estimated. PRO/II has extensive procedures for the
translation of petroleum stream laboratory assay data into pseudo components.

Pseudocomponents are based on boiling point or cutpoint ranges on the true


boiling point (TBP) distillation for the stock. The normal boiling point for a
pseudocomponent is defined as the weighted average temperature of its cutpoint
range. The TBP distillation must often be derived from another type of laboratory
distillation, using a conversion procedure. PRO/II accepts the following types of
laboratory distillations: TBP, ASTM D1160, ASTM D86, and ASTM D2887. While
laboratory distillations are usually reported on a 760 mm Hg basis, PRO/II has
procedures to correct distillations for other laboratory pressures.

Estimated values for the standard liquid gravity and molecular weight for each
pseudocomponent are also needed for the characterization process. The
standard liquid gravity for each pseudocomponent is derived from the gravity
curve for the stream, in similar fashion to the normal boiling point. The gravity
curve for the stream is often not available, and it must be estimated, based on
the average stream gravity and the distillation curve. The molecular weight curve
is seldom available, and the molecular weight for each pseudocomponent is
usually predicted from its normal boiling point and standard liquid gravity. All
other required physical and thermodynamic properties may be estimated from
the normal boiling point, standard liquid gravity, and molecular weight.

The use of assay data in PRO/II is divided into two logical steps. The first step
involves the definition of the cutpoint ranges and selection of the characterization
options used in development of the pseudo components.Characterization options
include distillation curve fitting and conversion methods, gravity curve generation
procedure, methods for prediction of molecular weight, and methods for
estimation of critical properties and ideal gas enthalpies. If the default cutpoint
ranges and methods furnished by PRO/II are acceptable, this step may be
omitted.

The properties for all pseudocomponents derived from the same cutpoint set are
averaged, based on the stream flows, to develop a common set of blend
components. This technique provides reasonable results when the streams have
similar chemical natures. For example, all of the assay specifying streams are
products from the crude distillation unit. However, when assay streams are
dissimilar chemically, such as virgin materials and cracked materials, there may

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 109


be serious errors in the characterizations for the streams when a single set of
blend components is used.

For this reason, you are allowed to define additional cutpoint sets. For example,
an additional cutpoint set may be defined to represent the products from an FCC
reactor. Note that it is not necessary or desirable to define a separate cutpoint
set for each assay stream. Similar streams may be grouped by using the same
cutpoint set without a serious loss of accuracy. This also minimizes the number
of components in the simulation, keeping calculation times smaller.

The second step is supplying the petroleum stream laboratory assay data to
PRO/II. This step is accomplished in the setup of initial feed streams and is
discussed in the Stream Data section of this chapter.

TBP Cutpoint Sets

TBP cutpoint sets are defined in the Assay Cutpoints and Characterization main
data entry window. This window may be reached from the PFD main window in
two ways:

Click with the distillation pseudocomponent curve on the toolbar, or


select the menu bar item Input, then select the menu item Assay
Characterization.

A Primary Cutpoint Set is always provided as a default by PRO/II.


This set has the following cutpoint definitions:

Cutpoint Range, Deg F Cutpoint Range, Deg C No of Cuts


100 - 800 38 - 427 28
800 - 1200 427 - 649 8
1200 - 1600 649 - 871 4

The default cutpoint ranges are usually reasonable for crude oil problems. They
may be modified in the Assay Data Primary TBP Cutpoints Definition window
which is accessed by clicking Modify... on the Assay Cutpoints and
Characterization main data entry window. A convenient tabular form is provided
for editing of the primary cutpoint set.

Additional or Secondary cutpoint sets may be added to the problem by clicking


Define New Cutpoint Set... on the Assay Cutpoints and Characterization main
data entry window to access the Assay Data Secondary Set of TBP Cuts. A
cutpoint set name is supplied on this window and a tabular entry form is provided
for definition of the cutpoints. This window is also used to modify existing
secondary cutpoint sets and is accessed by clicking Modify on the Assay
Cutpoints and Characterization main data entry window and highlighting a

110 PRO/II USER GUIDE JUNE 2006


secondary cutpoint set in the Defined Secondary Sets list box, on the Assay
Cutpoints and Characterization main data entry window.

Highlighted secondary cutpoint sets in the Assay Cutpoints and Characterization


main data entry window may be deleted by clicking Delete.... This action
removes the secondary cutpoint set from the problem.

The Default Cutpoint Set is used for all streams for which a cutpoint set is not
specified. Initially, it is defined as the Primary Cutpoint Set by PRO/II. After one
or more Secondary cutpoint sets have been defined, the default cutpoint set may
be changed via the drop-down list box on the Assay Cutpoints and
Characterization main data entry window. It is convenient to define the cutpoint
set which is used the most often as the default cutpoint set.

Assay Characterization Options

Assay characterization options are selected on the Assay Characterization


Options window which is reached by clicking Characterization Options on the
Assay Cutpoints and Characterization main data entry window. Several
groupings of options are shown in this window, with all options selectable with
radio buttons. The option groups are as follows:

Criticals, Ideal-Gas Enthalpy: SIMSCI (Twu) method (the default), Cavett


method, or Lee-Kesler method.

Molecular Weight: SIMSCI (Twu) method (the default), Old (1967) API method,
or Extended 1980 API method.

Gravity Curve Generation Method: Constant Watson K from TBP Curve


(default), or Constant Watson K from D86 Curve.

Distillation Curve Interconversions: API 1987 (the default), API 1963, API
1994, or Edmister-Okamoto.

Fitting Procedure: Cubic Spline (default), Quadratic Polynomials, or Probability


Density Function (PDF).

Distillation Boundaries: Initial Point and End Point percentages.

Include in PDF: Include Initial Boiling Point in fit, and/or include End Point in fit.

Calculation of NBP for Cuts: Liquid Volume Average (default) or Temperature


Midpoint.

Curve Fit: Improved Fit or Ver 6 Fit

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 111


The characterization options are explained in greater detail in the PRO/II help
text and the online PRO/II Reference Manual accessed via the Help menu.

Thermodynamic Data

General Information

The selection of appropriate thermodynamic methods is an important and


necessary step in the solution of flowsheet problems. PRO/II provides a wide
range of methods to allow solution of the wide variety of systems which occur in
the chemical process industries.

Thermodynamic properties are an integral part of the flowsheet calculations. The


equilibrium K-values (both VLE and LLE) are used to determine the phase
separations. The enthalpies for the streams are used to determine the energy
required to take a system of components from one set of thermal conditions to
another. Entropies are used in the calculation of the isentropic operations and the
Gibbs free energy minimization reactor. Liquid and vapor densities are used in
heat transfer, pressure drop, and column tray sizing.

Transport properties are selected in conjunction with the thermodynamic


methods in PRO/II and are comprised of liquid and vapor viscosities, liquid and
vapor thermal conductivities, and liquid diffusivities. While not strictly a transport
property, liquid surface tension is also included. Transport properties find use in
rigorous heat transfer calculations, pressure drop determination, and column
sieve tray and packing calculations. Transport properties are also reported in the
stream properties reports and may be requested in Heating/Cooling Curves
reports.

In PRO/II, the selection of thermodynamic methods has been simplified by the


concept of the method set. Method sets consist of predefined thermodynamic
methods for K-values (VLE and LLE), liquid and vapor enthalpies, entropies,
vapor fugacities, and densities. Numerous predefined sets are provided. Multiple
thermodynamic method sets may be selected for each flowsheet. For example, a
default set may be specified for the overall flowsheet and other method sets used
for individual units.

A facility is also provided to modify the thermodynamic methods in the predefined


method sets. Certain parameters for some of the thermodynamic methods may
also be supplied.

112 PRO/II USER GUIDE JUNE 2006


Selecting Predefined Method Sets

Selection of thermodynamic method sets is accomplished via the


Thermodynamic Data window which may reached from the PFD main window in
two ways:

Click with the phase diagram on the toolbar or select the menu bar
item Input/Thermodynamic Data.

For convenience, several Categories of method sets can be selected in the list
box on the Thermodynamic Data window. The Primary Method, i.e., the method
used for calculation of equilibrium K-values, for each method set in the selected
Category appears in a drop-down list box and may be selected to add the
method set to the Defined Systems for the problem.

The Defined Systems appear in a list box and each may be selected for further
action by highlighting the desired method and clicking Modify..., Delete..., and
Rename... on the Thermodynamic Data window. The method set for which action
is to be taken is selected (highlighted) in the Defined Systems list box. Delete
removes the selected method set from the problem. The Rename option is used
to change the name of the selected method set. This is useful when it is desired
to use a method set more than one time in a problem, perhaps with different
parameters. Modification of method sets is discussed later in this section.

The following Categories of method sets are provided:

Most Commonly Used: These method sets may be used for a wide variety of
problems. Nearly all gas processing and oil refining calculations are handled
satisfactorily. Method sets in this category are: Soave-Redlich- Kwong (SRK),
Peng-Robinson (PR), Grayson-Streed (GS), Braun K-10 (BK10), Ideal, NRTL,
UNIQUAC, and UNIFAC.

Equations of State: Equations of state are applicable to wide ranges of


temperatures and pressures. They can be used to calculate all thermodynamic
properties, using the ideal gas state as the reference state. The cubic equations,
in particular, are able to accurately predict critical and supercritical conditions.
Equation of state method sets are: Soave-Redlich-Kwong (SRK), SRK-Kabadi-
Danner (SRKKD), SRK-Huron-Vidal (SRKH), SRK-Panagiotopoulos-Reid
(SRKP), SRK-Modified-Panagiotopoulos-Reid (SRKM), SRK-SIMSCI (SRKS),
SRK-Hexamer (HEXAMER), Peng-Robinson (PR), PR-Huron-Vidal (PRH), PR-
Panagiotopoulos-Reid (PRP), PR-Modified-Panagiotopoulos-Reid (PRM), BWRS
(BWRS), Lee-Kesler-Plcker (LKP), and Uniwaals (UNIWAALS).

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 113


Liquid Activity: Liquid activity methods use liquid phase activity coefficient
models to represent the liquid mixture in phase equilibrium calculations. This
approach is useful for modeling strongly nonideal liquid solution behavior.
Methods available in PRO/II include:
NRTL, UNIQUAC, Wilson, van Laar, Margules, Regular Solution, Flory-Huggins,
UNIFAC, UNIFAC TDep-1, UNIFAC TDep-2, UNIFAC TDep-3, UNIFAC Free
Volume, and Ideal.

Generalized Correlations: Generalized correlations predict K-values with semi-


rigorous equations. The Grayson-Streed and Chao-Seader correlations use the
Redlich Kwong equation for vapor fugacities and empirical relationships for the
liquid fugacities. Braun K-10 is based on the convergence pressure concept. A
variety of other correlations are used to predict the other properties, i.e.,
enthalpies, entropies, and densities. Generalized correlations are: Braun-K10
(BK10), Grayson-Streed (GS), Improved-Grayson-Streed (IGS), Grayson-Streed-
Erbar (GSE), Chao-Seader (CS), Chao-Seader-Erbar (CSE), and Ideal (IDEAL).

Special Packages: Special packages are designed to solve a particular


industrial application. Special packages in PRO/II are: Alcohol (ALCOHOL),
Glycol (GLYCOL), Sour Water (SOUR), GPA Sour Water (GPSWATER), and
Amine (AMINE) and CAPE-OPEN.

All Primary Methods: This category includes all of the primary thermodynamic
sets that are listed above. User-added Methods: This category includes all of the
15 user-added method sets that may be defined by the user.

The PRO/II online help texts provide application guidelines for the various
method sets, as well as a brief description for each method. More detailed
information may also be found in the PRO/II Reference Manual (also available
online). Table 8-1 at the end of this section gives a detailed list of the composite
thermodynamic methods used for each predefined method set.

Modifying Predefined Method Sets

Predefined method sets are modified via the Thermodynamic Data-Modification


window which is accessed by clicking Modify... on the Thermodynamic Data
window.

The preselected thermodynamic methods for the various thermodynamic


properties may then be changed in this window by following the steps given
below:

Click on the Current Method drop-down list box corresponding to the


Property type.
Select the replacement thermodynamic method.

114 PRO/II USER GUIDE JUNE 2006


Any or all of the thermodynamic methods may be changed for the method set
being modified, including: K-value (VLE), K-value (LLE), liquid enthalpy, vapor
enthalpy, liquid entropy, vapor entropy, liquid density, vapor density, and vapor
fugacity (where applicable).

Note: The newly added libraries and databank names in TDM can be recognized
in this dialog box by Library Name:Databank Name.

Some property-specific data may also be supplied and/or modified in this window
for the thermodynamic methods by clicking Enter Data... in the Property-specific
Data field. Many of the methods use specific parameters, such as binary
interaction factors, modified acentric factors, etc. A priority search order may be
defined for the selection of these parameters from more than one thermodynamic
databank. Note that thermodynamic databanks are supplied by SIMSCI and may
also be prepared by the user with the SIMSCI LIBMGR program.

Property-specific data which apply only to the liquid activity methods include: fill
options for missing parameters, Henrys Law options, and Poynting correction
options. For the liquid activity methods, a vapor fugacity method may also be
selected.

Other property-specific data which may be modified include the dimensionless


residence time correction factor for amines DGA and MDEA and the key (or
dominant) components in each liquid phase for K-value (LLE) methods. Key
component selection is optional and PRO/II will determine them when not
supplied. However, convergence time may be enhanced by preselecting the key
components.

Fill-in Property Prediction

PRO/II allows missing data to be filled in under several circumstances. For


example, when the composition of an azeotrope and activity coefficient values at
infinite dilution are known for some pair of species, you can use this option to
predict missing activity coefficient values at intermediate concentrations.

VLE and LLE K-value parameters for liquid activity coefficient methods may be
estimated by the UNIFAC, Temperature-Dependent UNIFAC, Regular Solution,
or Flory-Huggins methods, or they may be obtained from an azeotrope bank. The
choice of fill-in property prediction is entered on the Binary Data Fill Options
window, which is reached by clicking the corresponding Enter Data... button on
the Thermodynamic Property Modification-Property Specific Data window.
Checking the box will fill in missing data from the azeotrope databank. A method
for filling in missing binary parameters (using the UNIFAC, modified UNIFAC,
Regular Solution, or Flory-Huggins methods) may be selected by choosing the
appropriate radio button.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 115


Equation of State Alpha Data

The form to be used for equation of state alphas may be specified on the Alpha
Selection window. This window is reached by clicking the appropriate Enter
Data... button on the Thermodynamic Property Modification-Property Specific
Data window. The source of the alphas to be used in the equation of state may
be designated by selecting the appropriate radio button.

Henrys Law

The Henrys Law window is used to specify whether or not Henrys Law is to be
used in conjunction with a liquid-activity K-value method. This window is brought
up by clicking Enter Data... on the Thermodynamic Property Modification-
Property Specific Data window. Checking the box on the Henrys Law window
causes Henrys Law to be used to determine the solubility of certain components.
Designation of solute components may either be determined by the program or
selected explicitly by choosing the appropriate radio button. If the solute
components are to be designated explicitly, the desired solute components must
be selected from the list box on the Henrys Law window.

Poynting Correction

The Poynting Correction window is used to specify the use of the Poynting
correction factor for liquid-phase fugacities. The Poynting Correction window is
brought up by clicking the appropriate Enter Data... button on the
Thermodynamic Property Modification-Property Specific Data window. There are
three options to using the Poynting correction:

1. Default: This choice specifies that the Poynting correction will be used only if
a vapor fugacity method is chosen.
2. Use Poynting Correction to Liquid Activities: Use the Poynting correction
factor for the liquid phase fugacity.
3. Do Not Use Poynting Correction: Do not use Poynting correction factor.

If either of the first two options is selected, then the molar volume calculation
method may be selected from the following choices: Standard (25C) Volumes,
Rackett, Rackett One-Fluid, or Library Density Correlations. The default method
is Standard (25C) Volumes.

Amine Residence Time Correction Factor

The Amine Residence Time Correction window is available only for the Amine
special data package thermodynamic method for K-values. It is accessed by
clicking Enter Data... on the Thermodynamic Property Modification-Property
Specific Data window, then clicking LLE KeyComponents... on the LLE K-values
window. A value for the residence time correction factor for systems containing

116 PRO/II USER GUIDE JUNE 2006


amines MDEA or DGA may be entered in this window. The default value for this
factor is 0.30.

LLE Key Components

The LLE Key Components window can be accessed whenever an LLE K-Value
method is selected, by clicking Enter Data... on the Thermodynamic Property
Modification-Property Specific Data window, then clicking LLE Key
Components... on the LLE K-value window. Both the light liquid phase and the
heavy liquid phase can either be Determined During Calculations or User-
specified by selecting the appropriate radio buttons. When the User-Specified
radio button is chosen, a component must be selected in the associated drop-
down list box. This drop-down list contains all available liquid-phase components.
One component may be selected for each key.

Note: The newly added libraries and databank names in TDM can be recognized
in this dialog box by Library Name:Databank Name.

Binary Interaction Parameters

A number of methods in PRO/II allow the entry of binary interaction parameters.


These include equations of state for many properties and liquid-activity-
coefficient models for K-values. These parameters are entered on the Binary
Interaction Parameters window, which is reached by clicking Enter Data... n next
to Binary Interaction Parameters on the Thermodynamic Property Modification-
Property Specific Data window. For each column of the grid, the two components
for which the data is being entered must first be selected from the drop-down list
boxes in the first two rows of the grid.

Depending on the thermodynamic method set which has been selected, one or
more parameters characterize the interaction between the two components.
When the Binary Interaction Parameters window is initially brought up, the box at
the top of the window must be checked in order to enable the grid where
individual binary interaction parameters are entered. For the NRTL and
UNIQUAC methods, there are several different forms of the binary interaction
equations. For the NRTL method, the 5-Parameter equation is the default form.

For the UNIQUAC method, the default is the 4-Parameter form of the equation.
For these two methods, a different equation form may be selected for each
component pair from the Equation Format drop-down list box, in order to enter
the data in the most convenient form. Depending on the selection in the Equation
Format list box, the appropriate rows in the grid become active. For most
equation formats, many active parameters have default values of 0.0, except for
the SRK-Modified Panagiotopoulos-Reid, PR-Modified Panagiotopoulos-Reid,
Glycol, Sour, GPA Sour Water, and Amine methods, where the default value for
parameters cij and cji is 1.0.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 117


User supplied K-values

A number of methods in PRO/II allow the user to overwrite the primary method
K-values. The user supplied K-values are entered for all related components on
the Thermo Properties - User supplied K-values dialog box.This dialog box is
opened by clicking Enter Data... next to User supplied K-values on the
Thermodynamic Property Modification-Property Specific Data window.

The K-values are supplied through Thermodynamic Data - User supplied


K-values dialog box by selecting either the correlated or tabular form.

Correlation Coefficient : Antoine equation is used as a default correlation with


1 atm as reference pressure. The coefficients have default values of 0.0.

Tabular Data : User needs to supply K-value for at least 2 temperature points for
all the relevant components.

Detailed information on default correlations is available in PRO/II Reference


Manual.

Selecting the User Supplied option for KVLE/KLLE in the Thermodynamic


Property Modification window can also overwrite the entire KVLE/KLLE method.

Heat of Mixing Data

For the ideal thermodynamic method, an excess enthalpy method may be


specified on the Heat of Mixing window. This window is accessed by clicking
Enter Data... beside liquid enthalpy on the Thermodynamic Property-Modification
Data window, checking the check box and then clicking Enter Data on the
Thermodynamic Property-Modification-Liquid Enthalpy window beside the Heat
of Mixing data item. Checking the box on the Heat of Mixing window activates
three radio buttons, and the excess enthalpy calculation method may be selected
by choosing the desired radio button. If either of the Redlich-Kister Excess
Enthalpy methods are chosen, then the Redlich-Kister binary parameters may be
entered in the Binary Redlich-Kister Parameters window, which is accessed by
clicking Binary Data.... When entering the Redlich-Kister binary parameters for
any component pair, the Aij field is required and the other parameters have
default values of 0.0.

User-added Thermodynamic Data

To select a user-added thermodynamic method, select one of the fifteen user-


added methods from the drop-down list box in the Primary Method field on the

118 PRO/II USER GUIDE JUNE 2006


Thermodynamic Data window. The User-added Parameters window allows the
input of parameters for user-added thermodynamic subroutines. For each row of
the grid, the parameter number (from 1 to 2600) is entered in the first column and
the parameter value is entered in the second column.

Note: The User-added Subroutines supplement (an add-on to the stan-dard


PRO/II package) is required for user-added thermodynamic methods. Contact
your local SIMSCI office for more information.

CAPE-OPEN Property Package

The PRO/II CAPE-OPEN thermodynamics capability enables users to add third


party CAPE-OPEN property packages to perform thermodynamic property
calculations for streams on flowsheet. CAPE-OPEN standards are the uniform
standards for interfacing process modeling software components developed
specifically for the design and operation of chemical processes. These standards
allow integration of different software components like Unit Operations and
Thermodynamic Property Packages from different vendors into a single
simulation.

Selecting the CAPE-OPEN Property Package

To install a new CAPE-OPEN Property Package, execute the install program


provided by the vendor. The install program should perform all actions necessary
to copy the files to your computer and set up the required entries in the Windows
Registry. After installation, you can launch PRO/II and immediately use the new
CAPE-OPEN software components. When a CAPE-OPEN is selected in the
Category list box, a dialog will be displayed with a tree control filled with
registered CAPE-OPEN property packages and thermo systems. User must
select property package. To view the vendor information, components supported,
properties supported and phase supported for the particular property package,
select the CAPE-OPEN property package and click View. Property package
thermo system can be selected for unit operations and streams.

Property Calculations

When a Property Package is selected for stream calculations or unit operation


calculations, thermo properties like transport properties,enthalpy, entropy etc. will
be calculated from the property package. For flash calculations, CalcEquilibrium
will be called on property package. But, if the function CalcEquilibrium to property
package fails, flash algorithm of PRO/II will be used with properties like fugacity
coefficients from property package.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 119


Defining Transport Properties

Transport property methods are selected in the Thermodynamics Transport


Properties window which is accessed by clicking Transport Properties... on the
Thermodynamic System Modification window. Transport properties, i.e.,
viscosities, thermal conductivities, liquid surface tension, and liquid diffusivities
may be selected on a global basis via radio buttons as: specify individually, pure-
component averages, petroleum-based correlations, the TRAPP method, or
user-added methods. Note that the TRAPP method does not predict liquid
surface tension and the petroleum method is used to predict this property when
TRAPP is selected.

Drop-down list boxes may be used to replace any of the global methods,
with these options for the properties:

Vapor viscosities: None, pure-component average, petroleum correlation,


TRAPP correlation, Bromley-Wilkey correlation, CAPE-OPEN, user-added.

Liquid viscosities: None, pure-component average, petroleum correlation,


TRAPP correlation, API correlation, SIMSCI correlation, kinematic viscosity,
Lohrenz-Bray-Clark, Twu viscosity w/Twu Bull mixing rule, API viscosity
w/Twu Bull mixing rule, Tight Woeflin (petro method), Medium Woeflin
(petro method), Loose Woeflin (petro method), Tight Woeflin (pure
method), Medium Woeflin (pure method), Loose Woeflin (pure method),
CAPE-OPEN, user-added.

Vapor thermal conductivities: None, pure-component average, petroleum


correlation, TRAPP correlation, CAPE-OPEN, user-added.

Liquid thermal conductivities: None, pure-component average, petroleum


correlations, TRAPP correlation, Latini correlation, API 96 Procedure 12A3.2,
API 96 Procedure 12A4.1 (High Pressure), CAPE-OPEN, user-added.

Liquid surface tension: None, pure-component average, petroleum


correlations, Parachor/Tacite, API 82 Procedure 10A3.2, CAPE-OPEN, user-
added.

Liquid diffusivity: None, Wilke-Chang, User-supplied diffusivity data

Note: The None option for the methods above is available only if the Specify
Individually option is selected for the Transport System.

Liquid diffusivity: None, Wilke-Chang.

120 PRO/II USER GUIDE JUNE 2006


Note: A user-added method is not allowed for liquid diffusivity calculations.

To select a user-added transport method, choose the User-added Subroutine


option from the Transport Properties window and select one of the five methods
from the drop-down list.

Note: The User-added Subroutines Supplement (an add-on to the standard


PRO/II package) is required for user-added transport methods. Contact your
local SIMSCI office for more information.

The PRO/II online help text provides additional information about the various
transport property methods. More information may also be found in the PRO/II
Reference Manual.

Specifying Water Decant Options

When a method set which supports two-liquid phase calculations is selected via
the Thermodynamic Data window, the Thermodynamics -Liquid- Liquid Options
window appears. Radio buttons on this window may be used to specify that a
single liquid phase only be used in the calculations (the default) or that two-liquid
phase calculations be performed.

For method sets that support water decant, the user may optionally select to
decant water as a pure phase. The methods used for the decant water
calculations are selected via radio buttons in the Water Options window which is
reached by clicking Water Options... on the Thermodynamic System-Modification
window. The following options are available:

Calculation of Water Solubility in Nonaqueous Phase: SIMSCI Method (the


default), Kerosene correlation, Compute from Equation of State (SRK and PR
methods only).

Calculation of Decanted Water Properties: Vapor-Liquid Saturation Values,


Steam Tables and IAPWS-IF97 Steam Tables.

Optionally, the user may also check a check box to use GPSA Data Book values
for calculating the water partial pressure.

More details on decant of free water are given in the online help text and in the
PRO/II Reference Manual.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 121


Table 8-1: Predefined Thermodynamic Method Sets
Most Vapor Liquid Vapor Liquid Vapor Liquid Vapor
Commonly Enthalpy Enthalpy Entropy Entropy Density Density Fugacity
Used:
Primary
Method
(K-value)

Soave- SRK SRK SRK SRK SRK API NONE


Redlich-
Kwong
(SRK)
Peng- PR PR PR PR PR API NONE
Robinson
(PR)
Grayson- CP CP CP CP SRK API NONE
Streed (GS)
Braun-K10 JG JG CP CP IDEAL API NONE
(BK10)
NRTL IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
(NRTL)
UNIQUAC IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
(UNIQUAC)
UNIFAC IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
(UNIFAC)

Note: CP= Curl-Pitzer method, JG = Johnson-Grayson method, API= API Method

Equations of Liquid Vapor Vapor Liquid Vapor Liquid Vapor


State: Enthalpy Enthalpy Entropy Entropy Density Density Fugacity
Primary
Method (K-
value)

BWRS (BWRS) BWRS BWRS BWRS BWRS BWRS BWRS NONE


Peng-Robinson PR PR PR PR PR PR NONE
(PR)
PR-Huron-Vidal PRH PRH PRH PRH PRH API NONE
(PRH)
PR- PRP PRP PRP PRP PRP API NONE
Panagiotopoulos-
Reid (PRP)
PR-Modified- PRM PRM PRM PRM PRM API NONE
Panag.-Reid
(PRM)
Soave-Redlich- SRK SRK SRK SRK SRK API NONE
Kwong (SRK)
SRK-Kabadi- SRKKD SRKKD SRKKD SRKKD SRKKD API NONE
Danner (SRKKD)
SRK-Huron-Vidal SRKH SRKH SRKH SRKH SRKH API NONE

122 PRO/II USER GUIDE JUNE 2006


(SRKH)
SRK- SRKP SRKP SRKP SRKP SRKP API NONE
Panagiotopoulos-
Reid (SRKP)
SRK-Modified- SRKM SRKM SRKM SRKM SRKM API NONE
Panag.-Reid
(SRKM)
SRK-SIMSCI SRKS SRKS SRKS SRKS SRKS API NONE
(SRKS)
SRK-Hexamer HEXA HEXA HEXA HEXA HEXA API NONE
(HEXA)
Lee-Kesler- LKP LKP LKP LKP LKP API NONE
Plcker
Uniwaals (UNIW) UNIW UNIW UNIW UNIW UNIW UNIW NONE

Generalized Vapor Liquid Vapor Liquid Vapor Liquid Vapor


Correlations: Enthalpy Enthalpy Entropy Entropy Density Density Fugacity
Primary
Method (K-
value)

Braun-K10 JG JG CP CP IDEAL API NONE


(BK10)
Chao-Seader CP CP CP CP SRK API NONE
(CS)
Chao-Seader- CP CP CP CP SRK API NONE
Erbar (CSE)
Grayson- CP CP CP CP SRK API NONE
Streed (GS)
Grayson- CP CP CP CP SRK API NONE
Streed-Erbar
(GSE)
Improved- CP CP CP CP SRK API NONE
Grayson-
Streed (IGS)
Ideal (IDEAL) IDEAL IDEAL NONE NONE IDEAL IDEAL NONE

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 123


Special Vapor Liquid Vapor Liquid Vapor Liquid Vapor
Packages: Enthalpy Enthalpy Entropy Entropy Density Density Fugacity
Primary
Method
(K-value)

Alcohol SRKM IDEAL SRKM SRKM SRKM IDEAL IDEAL


(NRTL)
Amine SRKM AMINE SRKM SRKM SRKM IDEAL NONE
(AMINE)
Glycol SRKM SRKM SRKM SRKM SRKM API NONE
(GLYCOL)
Sour Water SRKM IDEAL SRKM SRKM SRKM IDEAL NONE
(SOUR)
GPA Sour SRKM IDEAL SRKM SRKM SRKM IDEAL NONE
Water
(GPSWAT)

Liquid Vapor Liquid Vapor Liquid Vapor Liquid Vapor


Activity: Enthalpy Enthalpy Entropy Entropy Density Density Fugacity
Primary
Method (K-
value)

NRTL (NRTL) IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL

UNIQUAC IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL


(UNIQUAC)
UNIFAC IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
(UNIFAC)
Wilson IDEAL IDEAL NONE NONE IDEAL IDEAL NONE
(WILSON)
van Laar IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
(VANLAAR)
Margules IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
(MARGULES)
Regular IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
Solution
(REGULAR)
Flory-Huggins IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
(FLORY)
UNIFAC IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
TDep-1
(UNIFAC
TDep-1)
UNIFAC IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
TDep-2
(UNIFAC
TDep-2)
UNIFAC IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL

124 PRO/II USER GUIDE JUNE 2006


TDep-3
(UNIFAC
TDep-3)
UNIFAC Free IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
Volume
(UNIFAC
Free Volume)
Ideal (IDEAL) IDEAL IDEAL NONE NONE IDEAL IDEAL NONE

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 125


Stream Data

General Information

This section of data is used to specify the thermal conditions and compositions
for all feed streams in the flowsheet. It may also be used to furnish initial
estimates of the composition and thermal conditions for recycle tear streams to
enhance recycle convergence. Supplied data for tear streams or any other
streams which are products from unit operations are used as estimates only and
always replaced by the next calculated set of values. Finally, Reference streams
may be defined to eliminate thermal recycles.

Compositional streams may be of two types: composition fully defined in terms of


defined components, or pseudocomponents to be generated from petroleum
assay data. Reference streams are always assigned the composition of the
parent stream.

Compositions may be defined on a mole, weight, standard liquid volume or vapor


volume basis, corresponding to typical laboratory data. It is necessary to provide
both a laboratory distillation and stream average gravity for petroleum assay
streams. Light ends analyses, gravity curves, and molecular weight curves may
optionally be furnished to improve the characterization of petroleum assay
streams.

The stream thermal conditions may be specified in a variety of ways including:


defined temperature and pressure, bubble or dew point conditions, or fraction
liquid. For reference streams, only the temperature and pressure may be defined.

Entering Stream Data

You can enter data for a stream on the flowsheet. The data entry window that
appears contains any data you previously entered (as well as default values) for
the selected stream.

To enter data for a stream:


Double-click on the stream or right-click on the unit icon and select Data
Entry... or select the stream and choose Input/Data Entry... from the
menu bar.
Select the desired stream operation.

The stream name automatically assigned by the program is displayed in the


upper left hand corner of this window and may be edited as desired. If the stream

126 PRO/II USER GUIDE JUNE 2006


is an intermediate or product stream, a check box appears on this window so that
an initial estimate may be supplied for the stream.

Select the Stream Type.

Figure 8-1: Stream Data Entry Window - Feed Stream

Specifying Composition Defined Streams

Within the Stream Data main data entry window:

Select the Composition Defined radio button.


Click Flowrate and Composition to access the Flowrate and Composition
window.

Radio buttons are used to select the stream flowrate basis as: Total Fluid Rate,or
Individual Component Flowrates. A data entry box adjacent to the Total Fluid
Rate button is used to enter the total stream flow in mole, mass, standard liquid
volume, or standard vapor volume units.

The stream composition is supplied in a drop-down list box, and may be supplied
on a mole, mass, standard liquid volume, or standard vapor basis. Components
not defined are assigned zero flowrates. If the total fluid rate was not given, the

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 127


flowrate for the stream is taken as the sum of the stream composition. PRO/II
displays a running total for the composition as it is entered.

When the total fluid rate is supplied and the composition does not sum to that
rate or a rate of 100.00 1.0 or 1.00 0.01 (indicating composition percentage or
fraction) an error is signaled. Optionally, a check box is provided to normalize the
composition based on the specified total fluid rate, in which case no error is
signaled for the above condition.

Specifying Stream Thermal Condition

The thermal condition for all supplied streams except reference streams must be
specified on the Stream Data main data entry window. Two specifications must
be supplied. The first specification is selected as Temperature or Pressure via
the First Specification drop-down list box and the value entered in an adjacent
data entry field.

The second is chosen from the Second Specification drop-down list box as:
Pressure, Bubble Point, Dew Point, Liquid Mole Fraction, Liquid Weight Fraction,
or Liquid Volume Fraction. The pressure and the liquid fraction specifications
have an adjacent data entry field. Thus, the thermal condition may be:

Defined temperature and pressure.


Bubble or dew point (pressure defined, temperature calculated).
Bubble or dew point (temperature defined, pressure calculated).
Liquid fraction (pressure defined, temperature calculated).
Liquid fraction (temperature defined, pressure calculated).

The temperature and pressure may optionally be specified for a reference


stream. If not specified, the thermal conditions for the parent stream are used.

Specifying Petroleum Assay Streams

Within the Stream Data main data entry window:

Select the Petroleum Assay radio button.


Click Flowrate and Assay to enter the Flowrate and Assay window.

The flowrate for the assay stream is entered in the data entry field provided as
weight or liquid volume units. The cutpoint set for the blend may be selected by
clicking the hypertext string default set of TBP cutpoints to retrieve a list of the
problem cutpoint sets. The pseudocomponent blending option is selected by
clicking the text string included in. This option is the default and includes the
pseudocomponents generated for the stream in the assay blending for the
cutpoint set. The excluded from option is used when the assay stream is a
recycle estimate and the effect of its estimated pseudocomponents on the assay

128 PRO/II USER GUIDE JUNE 2006


blend properties is not wanted. Entry of the various assay data is discussed
below. More information on the various laboratory tests is given in the PRO/II
help text and the PRO/II Reference Manual.

Laboratory Distillation

Click Define/Edit Assay... on the Petroleum Assay Stream window to


enter the Assay Definition window. This window is used to enter the
laboratory assay data for the petroleum stream.
Select the type of distillation via radio buttons as: True Boiling Point
(TBP), ASTM D86, ASTM D1160, or ASTM D2887.

The basis for the distillation may be chosen as: Liquid Volume or Weight. Liquid
Volume is the default for all distillations except the ASTM D2887 which is
defaulted as weight. Note that gravity and molecular weight curves must be on
the same basis, volume or weight, as the distillation curve. The distillation data
for TBP, ASTM D86, and ASTM D1160 are assumed to be at a pressure basis of
14.696 psia. If not, enter the laboratory pressure in the data field provided. For
ASTM D86 distillations, a Correct for Cracking check box is provided for
application of the API Data Book cracking correction to the distillation
temperatures.

The distillation data are entered in the table provided. At least two points are
required when the cubic spline fitting method is used. When only two points are
given, PRO/II uses a probability density function to fill in the curve. For the
quadratic fitting option, at least three points must be given for TBPs and five
points for other types of distillations. PRO/II needs the entire distillation curve
from zero percent to one hundred percent and extrapolates and interpolates as
necessary. Wise engineers perform their own extrapolations outside of PRO/II,
using their knowledge of the stream being characterized.

Gravity Data

The type of gravity data is denoted by radio buttons on the Assay Definition
window as: API Gravity, Specific Gravity, or Watson K-Factor. The stream
average value must be supplied in the data entry window provided. Optionally, a
gravity curve for the stream may be given by clicking Gravity Curve... on this
window to access the Assay Gravity Curve window which provides a convenient
tabular form for entry of the gravity curve.

Molecular Weight Data

A molecular weight curve may be optionally given by clicking Molecular Weight...


on the Assay Definition window to access the Assay Molecular Weight Data

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 129


window. This window provides a tabular form for entry of the molecular weight
curve. Optionally, the stream average value may also be supplied in this window.

Lightends Data

Lightends data may be optionally provided by clicking Lightends... on the Assay


Definition window to access the Assay Lightends Data window. The lightends
composition may be entered on a mole, mass, standard liquid volume, or
standard vapor volume basis. Any library component or petroleum component
that was defined as a PETRO component may be designated as a lightend.

Several choices are available for specification of the total lightends flow. These
choices are selected via radio buttons and are:

Match to TBP Curve: The lightends rate is determined such that the normal
boiling point for the mid percent of the highest boiling lightend exactly matches
the TBP curve. The lightend components are kept in the same proportions as the
supplied composition (the default).

Fraction of Assay: The lightends rate is a specified fraction of the total stream
rate. A basis of liquid volume or weight may also be selected in the Basis drop-
down list box. If no basis is selected, the basis for the distillation curve is
assumed. When this option is chosen and the lightends composition does not
add to the specified fraction or to 100.0 1.0 or 1.00 0.01 (indicating
composition percentage or composition fraction) an error is signaled.

Percent of Assay: The lightends rate is a specified percent of the total stream
rate. A basis of liquid volume or weight may also be selected in the Basis drop-
down list box. If no basis is selected, the basis for the distillation curve is
assumed. When this option is chosen and the lightends composition does not
add to the specified percent or to 100.0 1.0 or 1.00 0.01 (indicating
composition percentage or composition fraction) an error is signaled.

Use Compositions as Actual Rates: The supplied composition is assumed to


be component flows, not fractional composition or percentage composition.

Lightends Rate: The lightends rate is supplied directly in the data entry field
provided. When this option is chosen and the lightends composition does not add
to 100.0 1.0 or 1.00 0.01 (indicating composition percentage or composition
fraction) an error is signaled.

Optionally, a check box is provided to normalize the composition based on the


specified total lightends rate, in which case no error is signaled for a composition
total which does not equal fraction, percent or a supplied rate and does not add
to 100.0 1.0 or 1.00 0.01.

130 PRO/II USER GUIDE JUNE 2006


Stream Thermal Conditions

The thermal conditions for petroleum assay streams are specified in the same
fashion as that already discussed for compositionally defined streams.

Specifying Recycle Streams

The PRO/II calculation engine recognizes recycle loops and automatically sets
up loop calculations as needed. For many problems, the default techniques are
satisfactory. For complicated flowsheets with nested recycle loops, the user may
prefer to define the loop calculation details. Acceleration techniques can also be
applied to speed closure of the recycle tear streams.

Setting Recycle Convergence Options

Recycle convergence options are entered in the Problem Recycle Convergence


and Acceleration Options window which may be reached from the PFD main
window by clicking on the toolbar. The following Recycle Convergence
Options can be selected with radio buttons:

Converge all Streams: Convergence is not attained until all flowsheet streams
are converged within the recycle tolerances. This is the default.

Converge only Tear Streams: Convergence is reached when all tear streams
are converged. This is the option used by the SIMSCI PROCESS Simulation
Program.

Global recycle tolerances may be set in this window. These tolerances are used
for all loops except user specified loops in which tolerances are supplied.
Tolerances may be specified as relative or absolute via drop-down list boxes.
Tolerances are:

Component: Permissible change in a stream component rate from one iteration


to another. The default is 0.01 on a relative basis.

Temperature: Allowable change in a stream temperature from one iteration to


another. The default is 1.0F or equivalent.

Pressure: Allowable change in a stream pressure from one iteration to another.


The default is 0.01 on a relative basis.

The smallest stream component mole fraction to test for convergence may be
changed from the default value of 0.01 by clicking on the linked text numeric
value. Note that for some problems such as amine plants, this threshold must be
lowered to test the residual acid gas components in the recycle amine solution.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 131


Frequency of intermediate printed results for recycle calculations may be
selected by clicking the underlined value in the print statement: Print recycle
stream composition every 0 recycle iterations.

The number of recycle trials to allow before nonconvergence is signaled may be


entered by clicking the underlined value in the trials statement: Set default
maximum number of trials for each recycle loop to 20. Note that this is a global
value which may be superseded for a user specified loop.

Acceleration options are chosen via radio buttons:

Direct Substitution (No Acceleration): This is the default.

Apply Wegstein Acceleration: Use the Wegstein acceleration method. The


following additional options may be chosen with Wegstein by clicking underlined
default values: first iteration to accelerate (default is 2), iteration interval for
acceleration (default is 1), Wegstein lower and upper factors (defaults are -5.00
and 0.00)

Apply Broyden Acceleration: Use the Broyden acceleration method. When this
option is selected, the first iteration to accelerate may also be supplied by clicking
the underlined (linked text) default value of 2.

Ordinarily, all recycle tear streams are accelerated. Click Accelerated Tear
Streams... to access the Accelerated Tear Streams window. This window has
two options available:

Accelerate All Tear Streams: This is the default.

Accelerate User-specified Tear Streams: When this option is selected, tear


streams are selected in a drop-down list box and moved to the Accelerated
Streams list box. Acceleration is only applied to these tear streams in the
Accelerated Streams list box.

User-specified Recycle Loops

To select user-specified recycle loops, the user must first select the Alternate or
Explicitly Defined by User calculation sequence methods in the Problem
Calculation Sequence window.

Click User-specified Recycle Loops on the Problem Recycle


Convergence and Acceleration Options window to reach the User-
specified Recycle Loops window.
Then, click the check box beside User-specified Recycle Loops.

132 PRO/II USER GUIDE JUNE 2006


A tabular form is used to supply recycle loop information. Each line in the table
has drop-down list boxes which are used to select the Starting Unit and the
Ending Unit for each loop. The adjacent Enter Data... button is clicked to enter
additional recycle information via the Individual Recycle Loop Data window.

Information which may be entered in this window includes:

Number of Trials: Number of iteration trials before nonconvergence is signaled.


If not supplied, the global value is used.

Recycle Stream Convergence Tolerances: Tolerances may be supplied for the


Component, Temperature, and Pressure changes. A threshold component level
may be supplied by clicking the underlined (linked text) default. Note that the
global defaults are used when values are not supplied in this window.

Acceleration Options: The Direct Substitution, Wegstein Acceleration,or


Broyden Acceleration methods may be selected for acceleration of the tear
stream. The following additional options may be chosen with Wegstein by
clicking highlighted default values: first iteration to accelerate (default is 2),
iteration interval for acceleration (default is 1), Wegstein lower and upper factors
(defaults are -5.00 and 0.00). For Broyden, the first iteration to accelerate may
also be supplied by clicking the highlighted default value of 2.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 133


Scaling Product Streams

General Information

Scaling provides an easy way to ratio all of the results in a simulation such that
the flow of one of the products is equal to a specified flow. For example, it may
be desired to build a plant which produces a specified quantity of product, but the
exact quantity of feed required is not known. Instead of making multiple runs with
different feed rates, one run may be made and the complete result scaled,
including the feed rate such that the desired product rate is achieved.

To use the scaling feature:


Select the menu option Output from the menu bar of the PRO/II main
window.
Select Report Format from the Output menu.
Select Miscellaneous Data from the Report Format menu to access the
Miscellaneous Report Options window.
Click Product Stream Scaling to display the Product Stream Scaling
window.
Click the check box beside Scale Stream Flowrate.
Next, pick the stream to be scaled from the Stream Name drop-down list
box in the Product Stream Scaling window and select the stream
components on which the scaling rate is based, with the radio button
provided. The default is All Components.If the Range of Components is
selected, the starting and ending components are chosen in drop-down
list boxes and the scaling rate is applied to the total of all components in
this range.

The rate for the scaled product stream, either the total stream or a specified
range of components, is supplied in the data entry field provided. The Units of

Measure feature may be used to supply the scaling rate as moles, mass,
standard liquid volume units, or standard vapor volume units.

Nonscaleable Unit Operations

Some unit operation results are not scaleable, that is, the calculated results are
dependent on the absolute flow through the unit. For example, the calculated
pressure drop through a pipe of specified diameter depends on the flow through
the pipe and may not be directly scaled for other flowrates. PRO/II disables the
scaling option when unit operations are present which are nonscalable. The
following unit operations are nonscalable:

Column Hydraulics, Rigorous Heat Transfer, Pipe, Depressuring, Plug


Flow Reactor.

134 PRO/II USER GUIDE JUNE 2006


Specifying Reference Streams

A reference stream is a stream of identical composition to its parent stream.


When the composition of the parent stream changes, the composition of the
reference stream is immediately updated to be the same as the parent stream.
This concept is very useful in eliminating thermal recycles in flowsheets.

Reference streams are designated by double-clicking the stream on the PFD to


retrieve the Stream Data main data entry window, selecting the radio button
Referenced to Stream, and choosing the parent stream in the drop-down list box.
Optionally, a rate may be supplied for the reference stream. If not supplied, the
rate of the parent stream is assumed.

Optionally, a temperature and pressure may be specified for the reference


stream. If not specified, the thermal conditions of the parent stream are used.

Copying Stream Data

PRO/II allows you to copy the thermal and composition data for a selected
stream. Process data for a selected stream can be copied to a new flowsheet
stream or can be used to replace (overwrite) the currently existing data in
another selected stream.

Creating a New Stream from an Existing Stream

In the PRO/II main window:


Select the desired stream to copy by clicking on the stream label with the
mouse.
Choose Copy on the Edit menu.
Click the left mouse button on an unoccupied area of the PFD main
window or choose Select None on the Edit Menu to deselect the selected
stream.

The data for the selected stream can now be copied to a new stream as follows:

Choose Paste on the Edit Menu.

The cursor will change to an arrow with a small s visible to indicate that the
PFD is now in stream mode.

Create a new stream by clicking the left mouse button on an unoccupied


area of the PFD main window or on one of the available exit ports for a
unit icon.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 135


Drag the mouse to the desired unoccupied area of the PFD or feed port
of another unit.
Release the mouse button to complete the creation of the stream.

Create additional duplicate streams if desired, or

Click the right mouse button or press <Esc> to exit stream mode.

The newly created stream(s) will have the same thermal conditions, composition,
and description as the original source stream.

Copying Data From One Existing Stream to Another Existing Stream

In the PFD main window:


Select the desired stream to copy by clicking on the stream label with the
left mouse button.
Choose Copy from the Edit menu.
Click the left mouse button on an unoccupied area of the PFD main
window or choose Select None on the Edit menu to deselect the selected
stream.

The data for the selected stream can now be copied to one or more existing
streams as follows:

Select the desired destination stream(s) with the left mouse button.
Choose Paste on the Edit menu.

The data from the original source stream will be copied to the destination
stream(s), overriding any existing. For compositionally-defined streams
containing calculated data, PRO/II allows the user to copy the calculated data
(temperature, pressure, and one of total composition, liquid composition, or vapor
composition) into the designated stream(s).

Select the desired compositionally-defined stream to copy by clicking on


the stream.
Choose Copy on the Edit menu.
Select the desired destination stream(s) with the left mouse button.
Choose Paste Special from the Edit menu.

You may choose to paste only the input data of the selected stream or paste the
input data and calculated data (using the total composition, or vapor composition,
or liquid composition).

136 PRO/II USER GUIDE JUNE 2006


Note:
Copy/Paste of an assay stream on to the product stream changes
the blend option to XBLEND. This is because the product streams
are not involved in the calculation of new stream properties.
The Paste Special option is not allowed if new pseudocomponents
generate i.e., flowsheet resets. Again, Paste Special can be
enabled by generating the calculated data.
Pasting a calculated data of an assay stream using Paste Special
(total composition, liquid composition, or vapor composition) on the
targeted stream will erase their assay composition data if a new
pseudocomponent is generated anywhere in the flowsheet.

Copying Input Stream Data Across Simulation Databases

The Stream Data Link feature described previously will only transfer calculated
data from the source stream to the input data slots of the destination stream. To
copy input stream data from one simulation database to another, you must use
the Windows Clipboard.

To transfer input stream data from one database to another:


Select File/Open menu to open the first database.
Highlight the stream of interest and copy the input data of this stream to
the Windows clipboard by using the Edit/Copy menu.
Open up the second database using the File/Open menu.
Paste the clipboard data into the destination stream using the Edit/Paste
Special menu.

Linking Stream Data Across Simulation Databases

The Stream Data Link feature allows for the transfer of calculated stream data
across PRO/II simulation databases. By using this feature, you can copy
calculated stream data from a source database to the input data of a destination
database. When modeling a large flowsheet, this practical feature enables you
to:

Quickly make use of stream data previously calculated in an upstream


section of the plant
Avoid possible simulation errors due to manual re-entry of stream data
Easily model each section of the flowsheet as a separate simulation, with
each section connected by a stream data link.

To define a Stream Data Link:


Highlight the stream to be linked to a previous database by clicking on it.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 137


Select the Define Stream Data Link option from the Input menu.

This brings up the Define Stream Data Link window as shown in Figure 7-15. In
this window you must select both the name of the previously-run database file,
and the stream from that simulation to be linked to your current simulation.

Click on the Define Link check box.


Enter the name of the previously-run database file, or click on the
Browse button to select from a list of available database files.
Enter the name of the stream from the previously-run database to be
linked to the stream in your current simulation, or click on the Browse
button to select from a list of available streams.
Click to return to the main PFD.

Note: You can link a stream in the current flowsheet to another stream in the
same flowsheet. This includes linking the input of the currently selected stream to
the calculated output data for that stream.

Updating Stream Data Links

You may update a stream data link while defining that link, or you may update all
defined links at a later time via the Input menu.

To update a Stream Data Link while defining that link:


Check the Update Now check box in the Define Stream Data Link
window.
Click Modify.

To update all defined Stream Data Links:


Select Update Stream Data Links menu option from the Input menu.

Note: If the components are different in the two simulation databases, some
component rate information may be discarded during the data transfer. If the
source stream has rate information for a component which is not present in the
second database, that rate information will be ignored. If the source stream
contains assay pseudocomponents, no component data will be copied to the
target stream unless an identical assay exists in the current (target) simulation.

Note: All stream data link information will be lost if you export the simulation data
to a PRO/II keyword file and then re-import the keyword file.

138 PRO/II USER GUIDE JUNE 2006


Refinery Inspection and User-defined Properties

Refinery Inspection Properties and User-defined Special Properties are available


in PRO/II for calculating bulk stream properties. The stream values of the
properties can be included in the PRO/II output and can be used in performance
specifications.

Refinery Inspection Properties comprises fifty-three predefined properties,


commonly used by refineries for measuring and specifying unit operation
performance. Examples are cetane index, sulfur content, pour point, kinematic
viscosity.

User-defined Special Properties can be defined for any other property for
which component data or assay data can be provided. Possible examples
include autoignition temperature, color, $/tonne.

Using Refinery Inspection Properties and User-defined Special Properties


in a Flowsheet

Refinery Inspection Properties and User-defined Special Properties are used in


the following ways:

Globally Through the Component Properties Window


Global property data for each component in the flowsheet are entered through
the Component Properties window. Values entered here are used everywhere in
the flowsheet unless overridden through the Thermodynamic Data window, as
described below.

Through the Stream Data Window


For streams that are to be defined in terms of assay curves, stream values of
Refinery Inspection Properties and User-defined Special Properties can be
entered either as curves or as average values or both.

Through the Thermodynamic Data Window


The properties that are to be used are specified in the Thermodynamic Data
window. If there is more than one thermodynamic system in the flowsheet, some
properties may be specified for use in one system and others in another.
Component data for each specified property can also be entered for each
thermodynamic system. Any component data entered for a thermodynamic
system will be used in preference to the data provided globally wherever that
thermodynamic system is invoked.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 139


Note: A property is available only if it has been specified for a thermodynamic
system through the Thermodynamic Data window and is available only in those
unit operations where that thermodynamic system is used.

Entering Global Data Through the Component Properties


Window

Global component data are entered for each component through the Component
Properties window of PRO/II. Values entered here are used everywhere in the
flowsheet unless overridden through the Thermodynamic Data window.

Refinery Inspection Properties

To enter component refinery inspection property data globally:

Click on the toolbar or select Input/Component Properties.... The


Component Properties window appears.
Click Refinery Inspection Properties to bring up the Component Property
Selection for Refinery Inspection Properties window.
Select a property from the Property Name drop-down list box.
Click Enter Data... to enter global values. If the property is Kinematic
Viscosity, the Component Data Entry for Kinematic Viscosity window will
open. Otherwise the Component Data Entry for Refinery Inspection and
User-defined Special Properties window will open.
For each component enter either a Data value or an Index value. For
some properties the index method is not applicable and no index values
may be entered. If the property is Kinematic Viscosity, enter values at
two temperatures.

The stream property value is calculated from the individual component values
using a chosen stream mixing method.

Note: The SIMSCI databank contains Refinery Inspection Properties for some
components; these data will be used if no value is entered in the input. If no data
are present for a component, a fill method can be chosen through the
Thermodynamic Data window (see below).

User-defined Special Properties

To enter component user-defined special property data


globally:

140 PRO/II USER GUIDE JUNE 2006


Click on the toolbar or select Input/Component Properties... from the
menu bar. The Component Properties window appears.
Click User-defined Special Properties to access the Component Property
Selection for User-defined Special Properties window.
Enter the name of a new Special Property in the Property Name drop-
down list box or select a special property from the list.
Click Enter Data... to enter global values. The Component Data Entry for
Refinery Inspection and User-defined Special Properties window will
open.
For each component, enter either a Data value or an Index value.

Entering Assay Data through the Stream Data Window

For streams that are to be defined in terms of assay curves, stream values of
Refinery Inspection Properties and User-defined Special Properties can be
entered either as curves or as average values.

Refinery Inspection Properties

To enter assay data for refinery inspection properties:


Double-click on the stream on the PFD. The Stream Data window
appears.
In the Stream Data window, click the Petroleum Assay radio button and
then click Flowrate and Assay to access the Flowrate and Assay window.
In the Flowrate and Assay window, click Define/Edit Assay... to access
the Stream Data - Assay Definition window.
In the Stream Data - Assay Definition window, first click the appropriate
distillation method radio button and then click Refinery Inspection
Properties to access the Assay Property Selection for Refinery
Inspection Properties window.
Select a property from the Property Name drop-down list box.
Click Enter Data... to enter global values. If the Property is Kinematic
Viscosity, the Assay Data Entry for Kinematic Viscosity window will open.
Otherwise the Assay Data Entry for Refinery Inspection and User-
defined Special Properties window will open.
Enter the property value(s) as either a stream average, curve against
Percent Distilled or both. If the property is Kinematic Viscosity, enter
values at two temperatures.

User-defined Special Properties

To enter assay data for user-defined special properties:

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 141


Double-click on the stream on the PFD. The Stream Data window
appears.
In the Stream Data window click Flowrate and Assay to access the
Flowrate and Assay window.
In the Flowrate and Assay window click Define/Edit Assay... to access
the Stream Data - Assay Definition window.
In the Stream Data - Assay Definition window click User-defined Special
Properties to access the Assay Property Selection for User-defined
Special Properties.
Enter the name of a new Special Property in the Property Name drop-
down list box or select a special property from the list.
Click Enter Data... to enter global values. The Assay Data Entry for
Refinery Inspection and User-defined Special Properties window will
open.
Enter the property value(s) as either a stream average, curve against
Percent Distilled or both.

Assigning Refinery Inspection Properties and User-defined Special


Properties to Thermodynamic Systems

The properties that are to be used in the simulation must be specified through the
Thermodynamic Data window. If there is more than one thermodynamic system
in the flowsheet, some properties may be specified for use in one system and
others in another. A property is available only if it has been specified for a
thermodynamic system and only in those unit operations where that
thermodynamic system is used.

Component data for each specified property can also be entered for each
thermodynamic system. Any component data entered in a thermodynamic
system will be used in preference to the component Global data wherever that
thermodynamic system is invoked.

To assign refinery inspection properties to a Thermodynamic


System:

Click or select Thermodynamic Data... on the Input menu bar item.


The Thermodynamic Data window appears.
Select the system for which modifications are to be made in the Defined
Systems box.
Click Modify... to access the Thermodynamic Data Modification
Window.
Click Refinery Inspection Properties. The Thermodynamic Method
Selection for Refinery Inspection Properties window appears. This
window has a table in which properties and associated parameters and

142 PRO/II USER GUIDE JUNE 2006


data will be entered. To eliminate the need to enter standard sets of
properties repeatedly, predefined lists of properties have been set up.
To load the table with a predefined list of properties, select from the
Predefined Lists list. Selecting None in this list removes all properties
from the table.
Select a property from the Property Name drop-down list box in the table.
The available options and their default selections, determined by the
property selected, are presented. Change these as required. The options
are:
Stream Method, which defines the method used to mix the component
property values to produce a value for the stream. The available options
are:

i. Summation: The stream property value is determined by summing the


product of the component property value and the component fraction.
The fraction may be molar, weight or liquid volume and is calculated from
the total stream dry composition except for kinematic viscosity when it is
from the dry liquid part of the stream. Any Index data supplied for the
property will be converted to property values before the summation,
using the equation:


Index
Value = Reference Value
Reference Index

ii. Index: The stream property index is determined by summing the product
of the component property index and the component fraction. The
fraction may be molar, weight or liquid volume and is calculated from the
total stream dry composition except for kinematic viscosity when it is
from the dry liquid part of the stream. Before the summation, any
supplied property values will be converted to index values using the
equation:


Value
Index = Reference Index
Reference Value

This equation is then used to convert the stream index value to the
stream property value.

iii. User-Formula: The stream property value is determined from the


equation in a user-added subroutine, which is linked into PRO/II. Data
values may be entered for each component and up to 20 real and integer
data values may also be supplied.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 143


iv. User-Index: The stream property value is determined by a user-added
subroutine, which is linked into PRO/II. The same data as for the Index
method is available to the user-added subroutine.

v. SIMSCI: This method is only available for cloud point and kinematic
viscosity. It is an index method but uses specific index equations.

vi. API: API procedures may be used to calculate flash point, cetane index,
mean average boiling point, cubic average boiling point, molal average
boiling point or net heating value. The API method requires no
component data.

vii. Nelson: This is an alternative correlation to calculate flash point and no


component data are required.

viii. Stream Basis, which specifies whether the component values will be
mixed using their mole, weight or liquid volume fractions.
ix. Component Fill, which specifies the action to be taken when component
values are missing for petroleum fractions in the stream. The available
options are:

a. Zero: This option sets the property value to 0.0.

b. No fill: This produces warning messages for missing data and set to 0.0.

c. SIMSCI: This option estimates missing data by SIMSCI correlations for


kinematic viscosity, smoke point, hydrogen content, carbon content or
carbon-hydrogen ratio.

d. API: This estimates missing data by API methods for kinematic viscosity,
pour point or refractive index.

e. Nelson: This option estimates missing data by Nelson method for smoke
point.

x. Component Blend, which defines the way in which missing data are
handled when calculating properties from blended assay streams. The
options are:

a. Zero: The property value for the cuts in the assay with no data is set to
0.0.

b. Exclude: The property is calculated by blending only those assays,


which have data for this property.

144 PRO/II USER GUIDE JUNE 2006


c. Missing: For this option, the blended property is not calculated and is
reported as Missing.

Click Data... to enter data for this property, for this thermodynamic
system. If the Stream Method is defined as User-Formula, the User
Formula Data Entry window opens. Otherwise, if the property is
Kinematic Viscosity, the Kinematic Viscosity Data Entry window will open
and for other properties, the Refinery Inspection and User-defined
Special Properties Data Entry window will open.
In the Kinematic Viscosity Data Entry window or the Refinery Inspection
and User-defined Special Properties Data Entry window, for each
component, enter either a Data value or an Index value. For each
component, enter either a Data value or an Index value. If an Index value
is entered, Reference Index Data must also be entered. For some
properties, the Index method is not applicable and neither Index values
nor Reference Index Data may be entered. If the property is Kinematic
Viscosity, enter values at two temperatures.
In the User Formula Data Entry window, for each component, enter a
Data value, which will be passed to a linked User-added Subroutine. Up
to twenty real and integer values an also be passed to the subroutine.
The meaning of the data are determined by the calculation subroutine.

User-defined Special Properties

To assign user-defined special properties to a Thermodynamic


System:

Click or select Thermodynamic Data... on the Input menu bar item.


The Thermodynamic Data window appears.
Select the system for which modifications are to be made in the Defined
Systems list box.
Click Modify... to access the Thermodynamic Data Modification Window.
Click User-defined Properties. The Thermodynamic Method Selection for
User defined Properties window appears. This window has a table in
which properties, associated parameters and data will be entered.
Enter the name of a new special property in the Property Name drop-
down list box or select a special property from the list. Change the
available options and their default selections as required. The options
are:
Stream Method, which defines the method used to mix the
component property values to produce a value for the stream.
Stream Basis, which specifies whether the component values will be
mixed using their mole, weight or liquid volume fractions.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 145


Component Blend, which defines the way in which missing data are
handled when calculating properties from blended assay streams.
Click Data... to enter data for this property, for this thermodynamic
system. If the Stream Method is defined as User-Formula, the User
Formula Data Entry window opens. Otherwise, the Refinery Inspection
and User-defined Special Properties Data Entry window opens.
In the Refinery Inspection and User-defined Special Properties Data
Entry window, for each component, enter either a Data value or an Index
value. If an Index value is entered, Reference Index Data must also be
entered.
In the User Formula Data Entry window, for each component, enter a
Data value, which will be passed to a linked User-added Subroutine.Up
to twenty real and integer values can also be passed to the subroutine.
The meaning of the data are determined by the calculation subroutine.

Note: If you have assigned Refinery Inspection Properties to a Thermodynamic


method set, the standard Stream Data Report will include these Refinery
Inspection properties.

Printing Refinery Inspection Properties and User-defined Special


Properties

Refinery Inspection Properties and User-defined Special Properties can be


included in the PRO/II output reports.

Select Report Format from the Output menu. Next, select the
Miscellaneous Data... menu option. The Miscellaneous Report Options
window appears.
In the Refinery Inspection and User-defined Special Properties box,
check one or both of the following options: Include Input Data for a
printout or data that has been input and/or Input Program Data for a
printout of data generated by PRO/II.

For output of kinematic viscosity data:

Select Report Format from the Output menu. Next, select the Stream
Properties... menu option. The Stream Property Report Options window
appears.
Enter two temperatures at which the kinematic viscosity results are
required.

BVLE (Validating Equilibrium Data)

Tables and plots of binary equilibrium data for given pairs of components may be
generated in order to ensure that they are valid in the required range of
operation. Any thermodynamic VLE or VLLE K-value method may be used.

146 PRO/II USER GUIDE JUNE 2006


For liquid activity thermodynamic methods (e.g., NRTL or UNIFAC), the following
are calculated:

K-values,
Liquid activity coefficients,
Vapor fugacity coefficients,
Vapor pressures, and
Poynting correction.

For non-liquid activity methods, such as equations of state or generalized


correlations, the following are determined:

K-values,
Liquid fugacity coefficients, and
Vapor fugacity coefficients.

The validation is carried out in the PRO/II - Binary VLE/VLLE Data window which
is opened by selecting the Binary VLE option from the Tools menu or by clicking
BVLE toolbar. This window is only available when at least two components and a
thermodynamic method have been selected.

To generate a BVLE plot or table:

Select from the Tools menu or click BVLE toolbar to bring up the
PRO/II - Binary VLE/VLLE Data window.
Click TDM Calculated BVLE to view Component and Thermodynamic
dialog box. Users can view all the components that has been used in the
current flowsheet on the left-hand side of this dialog box. Use Diagram
Tab to calculate and view BVLE plot and its associated data in the excel
sheet format. Here, BVLE plots can be viewed similar to PRO/II, but this
plot uses TDM and Modthermo Data.
Select the required components for the equilibrium calculations from the
drop-down lists.
Next, select constant pressure or temperature operation and enter the
value.
Finally, click Calculate to generate plots (by default, all available plots will
be generated). If Excel is selected on the Plot Setup option, from the
Options menu, tabular data are available in the spreadsheet. Otherwise,
only the plots are shown.

Note: For complete technical details, see the Utilities topic in the PRO/II
Reference Manual.

Chapter 8 SPECIFYING COMPONENT, THERMODYNAMIC AND STREAM DATA 147


Chapter 9
Unit Operations and Utility
Modules
This chapter describes how to use unit operation models. Also described are the
use of utility modules such as the Calculator, Controller, Flowsheet Optimizer
and similar functionalities.

For ease of reference, both the unit operation models and the utility modules are
presented together in alphabetical order:

Calculator . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 149
Column, Batch . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170
Column, Distillation . . . . . . . . . . . . . . . . . . . . . . . . . 171
Column, LiquidLiquid Extraction . . . . . . . . . . . . . .190
Column, Side . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .196
Compressor . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .199
Controller . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 204
Crystallizer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .207
Cyclone . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 211
Depressurizing Unit . . . . . . . . . . . . . . . . . . . . . . . . .218
Dissolver . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 223
Expander . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .224
Flash . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 226
Flash with Solids . . . . . . . . . . . . . . . . . . . . . . . . . . . 230
Flowsheet Optimizer . . . . . . . . . . . . . . . . . . . . . . . . 231
Heat Exchanger, LNG . . . . . . . . . . . . . . . . . . . . . .. .237
Heat Exchanger, Rigorous . . . . . . . . . . . . . . . . . . . .239
Heat Exchanger, Simple . . . . . . . . . . . . . . . . . . . . .249
Heating/Cooling Curves . . . . . . . . . . . . . . . . . . . . . .253
Mixer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 257
Multivariable Controller . . . . . . . . . . . . . . . . . . . . . .258
Phase Envelope . . . . . . . . . . . . . . . . . . . . . . . . . . .261
PIPEPHASE Unit Operation. . . . . . . . . . . . . . . . . . 263
Pipe . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 267
Polymer Reactor . . . . . . . . . . . . . . . . . . . . . . . . . . .272
Procedure Data . . . . . . . . . . . . . . . . . . . . . . . . . . . .274
Pump . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 282
Reaction Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . .283
Reactor . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 287
Reactor, Batch . . . . . . . . . . . . . . . . . . . . . . . . . . . .301

148 PRO/II USER GUIDE JUNE 2006


Solid Separator . . . . . . . . . . . . . . . . . . . . . . . . . . . .. 302
Splitter . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 303
Stream Calculator . . . . . . . . . . . . . . . . . . . . . . . . . . 305
SPEC/VARY/DEFINE . . . . . . . . . . . . . . . . . . . . . . . . .308
User-added Unit Operations . . . . . . . . . . . . . . . . . . . . 321
Valve . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 333
Wiped Film Evaporator . . . . . . . . . . . . . . . . . . . . . . . 334

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 149


Calculator

General Information

The Calculator is a versatile utility module useful for a variety of purposes in


flowsheet simulation. Parameters may be retrieved from the flowsheet and
calculations performed using a FORTRAN-like language. Parameters may be
returned to the flowsheet for use by other unit operations. Some uses for the
Calculator include:
Calculating special stream properties
Simulating special processing units such as reactors
Determining operating conditions for other unit operations
Performing design calculations using flowsheet information
Producing special output values for reports
Computing utility costs and economic functions
Calculating target values for Controllers or objective functions for
Flowsheet Optimizers

This is by no means an exhaustive list; the usefulness of this module is limited


only by the ingenuity of the user.

All Calculators have two main sections: Setup and Procedure. In the setup
section, unit and stream parameters are retrieved from the flowsheet, constants
are defined, names are assigned to calculated results, a sequence table is set up
for the streams used for input and output, and the dimensions for the various
working arrays may be expanded if desired.

The Procedure section is where all calculations are performed, using a simple
language based on FORTRAN 77. The language permits the use of
mathematical functions, branching and looping, and assignment statements
commonly used in programming. Special intrinsic functions are available for
retrieving flowsheet component and stream information. Special subroutines are
provided for storing calculated results directly in flowsheet streams. Calculated
results may also be stored in the Results array, making them available to the
other unit operations in PRO/II. A special solution flag is provided for use when
a Calculator models a unit operation.

150 PRO/II USER GUIDE JUNE 2006


Calculator Setup

Start Setup by clicking Edit/View Declarations on the Calculator main data entry
window to open the View Area:

Click Parameters to retrieve flowsheet parameters into the Calculator.


These variables are accessed in the Calculator procedure as elements of
array P. Click the Calculator parameter linked text to open the Definition
window where you can specify the stream or unit flowsheet parameter to
be retrieved. The format for this window is identical to that used for the
DEFINE and is described in the SPEC/VARY/DEFINE section of this
chapter. In this window, you will find a list of the unit and stream
parameters that may be retrieved via DEFINE.
Click Constants to enter the constant values. These variables are
accessed in the Calculator procedure as elements of array C. Although
you can enter constants directly in the procedure, this array provides a
means for collecting constants that need to be updated occasionally into
a common location.
Click Results to enter names for the Calculator results. These values
are accessed in the Calculator procedure as elements of array R. These
names will be used in the output report.
Click Stream Sequence to define an ordered table of flowsheet
streams. There are two functions for this table. First, it provides a
necessary link between the procedure and the flowsheet streams for
information flow. Second, a calculation loop may be performed in the
procedure for a range of streams, using the positions of the streams in
the table to control the loop order.
Click Arrays to declare the length of the storage arrays used by the
Calculator. These arrays include the P, C, R arrays defined above, and
the IS array that is used to hold stream variables. This array is described
in the Calculator Procedure discussion. Two additional arrays appear
here. In earlier versions of the Calculator, all local variables had to reside
in one of these arrays, V for real variables and IX for integers. Now that
any valid FORTRAN variable name can be used, these arrays are no
longer needed. Nonetheless, they are still available so that older
Calculators will work without rewriting.

Once Setup is complete, click Hide Declarations to close the View Area.

Calculator Procedure

Note: The PROCEDURE section is required and must end with a RETURN
statement.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 151


The FORTRAN procedure is entered directly into the Procedure field on the
Calculator main data entry window. The procedure may be checked as is it
composed by clicking Check Procedure.

The supported features of the language are discussed in the following sections.

Elements of the Language

Each statement may contain up to 80 characters. The ampersand (&) at the end
of a line denotes continuation of a statement on the following line. Note that an
asterisk (*) is not valid as a continuation marker, since it signifies multiplication.

All lines of code except the PROCEDURE statement may be preceded by a


unique numeric label from 1 to 99999 (shown as nn in this manual).

A dollar sign ($) causes all following characters on the remainder of the line to be
interpreted as a comment rather than as code. Unlike in FORTRAN, a C in
column one does not designate a comment statement.

Predefined Variables

Definitions of predefined variables, including default dimensions for arrays,


appear in the following table. Use a DIMENSION statement in the Calculator
setup section to reset the number of elements in each array.

Arrays C, P, V, and R store values in floating-point form. Array IX stores integer


values. Forms of use include:

An

where A is any of C, P, V, R, or B and n is an integer indicating a single element


of the array.

A(index)

where A is any of C, P, V, R, or B and (index) is an expression, such as (IX2 * 5).


The parentheses are required. A(n) denotes the same element as An.

Instead of, or in addition to the supplied V and IX arrays, standard FORTRAN


variables may be used. They may be up to 8 characters long and may not
duplicate the names of any supplied variables; otherwise they follow the
conventional FORTRAN rules. The introduction of this feature in PRO/II 5.0
means that the V and IX arrays need not be used. If this is the case, the arrays
can be dimensioned to one word each to save memory.

152 PRO/II USER GUIDE JUNE 2006


Array IS is normally used as the index of a DO loop to step through a sequence
of streams in the order defined on the SEQUENCE statement.

It may serve as the stream index in PRO/II intrinsic functions. The only form
allowed is ISn. IS(index) is never valid.

Predefined Variables

Variable Name Default Dimension Description and


and Form (for arrays) Comments

Cn or C(index) 1<=n<=50 Constant values defined in


the setup section. Used only
on the right side of
assignment statements

Pn or P(index) 1<=n<=50 Flowsheet parameters set


by DEFINE statements.
Used only on the right side
of assignment statements.

Vn or V(index) 1<=n<=200 A floating-point work array


used on either the left or
right side of assignment
statements. These elements
are initialized to a large
negative value and are not
available outside the
calculator.

Rn or R(index) 1<=n<=200 The array of calculator


results, used on either side
of assignment statements.
This results vector is
available to other flowsheet
modules external to the
Calculator. These elements
are initialized to a large
negative value.

IXn or IX (index) 0<=n<=9 An array of integer values.


The form ioIX(index) is
invalid on a DO statement.
It may be used on either
side of assignment
statements.
ISn 0<=n<=9 An array of elements used
as indices of DO loops for
stepping through a series of

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 153


streams in the order defined
on the SEQUENCE
statement.

ISOLVE This variable indicates


whether or not the
Calculator solved. It is
initialized to 0 upon each
entry into the calculation
procedure. The user
assigns all subsequent
values using an assignment
statement.
0 The Calculator has not yet
executed (default) or has
solved successfully.
1 The Calculator solved.
2 The Calculator did not
solve, but continue
flowsheet calculations within
a recycle loop.
3 The Calculator did not
solve, all calculations stop
unconditionally.
4 The Calculator solved; but
stop all subsequent flows
heet calculations. This sets
the flowsheet solution flag
to SOLVED.

MAXC Total number of


components in the problem.

MAXS Maximum number of


streams in the problem.

154 PRO/II USER GUIDE JUNE 2006


FORTRAN Statements
Procedure

This statement marks the start of the FORTRAN-based procedure section of the
Calculator. It is required.

Declaration Statements
REAL rname1, rname2(i), rname3(j,k) ...
INTEGER iname1 , iname2(i), iname3(j,k) ...
DIMENSION name1(i), name2(j,k) ...

These statements are used to define local scalars and arrays for use in the code.
Each subscript may be an integer constant, or two integer constants separated
by a colon to specify both the lower and upper array bounds. When defined by
the DIMENSION statement, variables assume the normal FORTRAN convention
that assigns names starting with I through N as integers, and all others as real.
Name lengths may be 8 characters long. Variables defined here may be changed
in the code. Variables not defined here are assumed to be real or integer
according to the first character.

Variable names must not conflict with any reserved words or predefined variables
(see table entitled Predefined Variables).

Examples:

DIMENSION A(20,20), B(20), X(20)


REAL MASS
INTEGER COUNT, TAB(100)
REAL REVENU(1990:1995), PROFIT(1990:1995),
LOSS(1990:1995)

Note: A variable may only appear once in these statements. The following is
valid in standard FORTRAN, but not in a Calculator Procedure:

REAL MOLWT
DIMENSION MOLWT(50)

Both standard FORTRAN and the Calculator accept this equivalent form:

REAL MOLWT(50)

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 155


Assignment Statements

nn variable =expression

The expression is governed by standard FORTRAN conventions. The


operations on a given statement are executed in the following order:

1. Expressions within parentheses ( )


2. Functions
3. Exponential ( ** )
4. Multiplications and divisions ( * ,/)
5. Additions and subtractions (+,-)

With the exception of exponentiation, calculations with the same precedence are
evaluated from left to right. Multiple exponentiations without parentheses to
explicitly specify the evaluation order are not permitted.

For example, the following is invalid:

BADVAL = A**B**C

Note: The Calculator-supplied arrays Cand P may not appear on the left side of
an assignment statement.

FORTRAN Intrinsic Functions

The FORTRAN intrinsic functions tabulated below can be used in


expressions:

156 PRO/II USER GUIDE JUNE 2006


FORTRAN Intrinsic Functions
Function Description Arguments Type of Result

Number Type

ABS Absolute Value 1 real real


DIM Positive Difference 2 real real
EXP Exponential e 1 real real
INT Truncation 1 real integer
LOG Natural Logarithm 1 real real
LOG10 Common Logarithm 1 real real
MIN Minimum Value >=2 real real
MAX Maximum Value >=2 real real
MOD Remainder 2 real real
NINT Nearest integer 1 real integer
SQRT Square Root 1 real real
SIN Sine (radians) 1 real real
COS Cosine (radians) 1 real real
TAN Tangent (radians) 1 real real
ASIN Arc Sine (radians) 1 real radian
ACOS Arc Cosine (rad) 1 real radian
ATAN Arc Tangent (rad) 1 real real
SINH Hyperbolic Sine 1 real real
COSH Hyperbolic Cosine 1 real real
TANH Hyperbolic Tangent 1 real real

PRO/II Intrinsic Functions

The following table lists special functions that allow direct retrieval of stream and
component properties. In the table, cno" represents an integer component
number which is an integer constant or variable, sid is a stream identifier or
ISn value. This identifier must appear on the SEQUENCE statement to be used
by a PRO/II intrinsic function. Property values are retrieved in the UOM used for
problem input.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 157


PRO/II Intrinsic Functions

Function Description of Property

Pure Component Properties


CMW(cno) Molecular weight
CNBP(cno) Normal boiling temperature
CSPGR(cno) Specific gravity (60F/60F)
CTC(cno) Critical temperature
CPC(cno) Critical pressure
CVC(cno) Critical volume, cc/gm-mole
COMEGA(cno) Acentric factor

Properties of Components in Streams

SCMF(cno,sid) Molar fraction of component in stream


SCWF(cno,sid) Weight fraction of component in stream
SCVF(cno,sid) Standard liquid volume fraction
SCMR(cno,sid) Molar rate of component in stream
SCWR(cno,sid) Weight rate of component in stream
SCLVR(cno,sid) Standard liquid volume rate of component
SCGVR(cno,sid) Standard gas volume rate of component

Stream Properties

SMR(sid) Mole rate of stream


SWR(sid) Weight rate of stream
SLVR(sid) Standard liquid volume rate of stream
SGVR(sid) Standard gas volume rate of stream
STEMP(sid) Stream temperature
SPRES(sid) Stream pressure

Stream Property Storage Subroutines

nn CALL SRXSTR(type, value, sid) A call to SRXSTR stores a Calculator


vector element as a property of stream sid. Values being stored must be
computed in the dimensional units used for data input. The resulting stream is
flashed at the new conditions to determine its thermodynamic state.

type This entry identifies the stream property to store. Available options are
tabulated below.

158 PRO/II USER GUIDE JUNE 2006


Stream Properties Stored by SRXSTR
type= Description

SMR mole rate of stream


SWR weight rate of stream
SLVR standard liquid volume rate
SGVR standard gas volume rate of stream
STEMP stream temperature
SPRES stream pressure

value This argument supplies or identifies the value of the property to store. It
can be a real constant or variable.

sid The sid entry identifies the stream in which to store the property. It may be
any stream identifier listed on the SEQUENCE statement of the setup section, or
an element of array IS in the form Isn. For example:

CALL SRXSTR(STEMP, R(14), SR4)


stores the value of element 14 from array R as the temperature of stream SR4.

nn CALL SRVSTR(type, array, sid, i, j) A call to SRVSTR stores a range of


values representing component stream properties from a Calculator array into a
stream. The resulting stream is flashed at the new conditions to determine its
thermodynamic state.

type This entry identifies the component property to store in the stream.
Available options are listed in in the following table.

Stream Component Properties Stored by SRVSTR


type= Description

SCMR molar rate of component in stream


SCWR weight rate of component in stream
SCLVR component standard of liquid volume rate
SCGVR component standard gas volume rate

array The initial element of a real Calculator array containing values to store as
properties of components in a stream.

sid The sid entry identifies the stream in which to store the property. It may be
any stream identifier listed on the SEQUENCE statement of the setup section, or
an element of array IS in the form ISn.

i, j These two entries are component id numbers. They indicate the

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 159


first and last components, respectively, for which the property is stored.

For example, the statement


100 CALL SRVSTR( SCWR, V(12), FD1, 2, 5 )
stores elements V(12) - V(15) as the weight flowrates of components 2 through 5
in stream FD1. Stream FD1 is reflashed using the new composition with the
previous temperature and pressure.

Calculational Flow Control Statements

nn GOTO mm This is the standard FORTRAN statement that branches to label


mm unconditionally. GO TO written as two words is also supported.

nn CONTINUE This statement serves as a branch destination or the end of a DO


loop. It performs no calculations.

IF Statements

nn IF (expression) conditional clause.This statement allows logical branching


during calculations and conforms to standard FORTRAN rules for IF
statements. If the parenthetic expression is true, it executes the conditional
clause. The conditional clause may not be one of the following:

REAL
INTEGER
DIMENSION
IF
ELSEIF
ELSE
ENDIF
DO
RETURN

160 PRO/II USER GUIDE JUNE 2006


The following table lists logical operators allowed in the expression.

Logical Operators in IF Statements

Operator Description

.EQ. equal to
.NE. not equal to
.LT. less than
.GT. greater than
.GE. greater than or equal to
.LE. less than or equal to
.AND. both true
.OR. either true
.EQV. equivalent
.NEQV. not equivalent
.NOT. true/false toggle

nn IF (expression) THEN
ELSEIF (expression) THEN
ELSE
ENDIF
These statements conform to standard FORTRAN IF-THEN-ELSE statements,
allowing for structured branching of code. ELSE IF and END IF written as two
words are also accepted. Block IF constructs may be nested.

DO Loops

nn DO mm iname= i, j, k - This statement defines the beginning of a DO


loop having a range extending through statement label mm. i and j are initial
and final indices, respectively. The increment step kis optional and defaults
to 1.

nn DO mm ISn= sid1, sid2 - This statement defines the beginning of a stream


DO loop having a range extending through statement label mm.

ISn is a stream variable, and sid1 and sid2 must be stream ids appearing on the
SEQUENCE statement. No incremental step index (comparable to k) is allowed.

OPEN Statement

nn OPEN(FILE=fileide, ACCESS=OVERWRITE orAPPEND)


The OPEN statement opens a file for CALCULATOR output. For PC, VAX, and
UNIX platforms, the default output name is fileid.CAL, where fileid is the current
input file name. A unique filename of up to 12 characters, can be specified, if
necessary. It must, however, have a .CAL extension. Underscore characters
are not allowed (e.g., FILE_01). Any OPEN statement automatically closes the
previously opened file.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 161


WRITE and FORsMAT Statements

nn WRITE (*, format) expression, expression, ...


nn FORMAT (item, item, ...)
These statements allow output using full FORTRAN format control. Output will be
to the file most recently opened with the OPEN statement. The WRITE statement
list may include constants, variables, expressions, or array names. Specifying an
array name causes all elements of the array to be written.
The WRITE statement refers to a FORMAT statement defining the output format.
The following standard FORTRAN format items are supported.

Format Items Function

nIw.d Output integer data


nFw.d, nEw.dEe, nDw.d, nGw.dEe Output real data xxxxx, nHxxxxx Output
character constants Tn, TLn, TRn, nX Tab control
kP Scale factor S, SS, SP Control of sign output /, : Line control
n(...) Grouping

OUTPUT Statement

nn OUTPUT {R(i :j ),P(i :j ),C(i :j ),V(i :j ),IX(i :j ),IS (i :j )}


This is a special OUTPUT statement provided with PRO/II. It outputs calculator-
supplied arrays or portions of these arrays to the currently open file. Entries i
and j refer to the first and last elements of the array to be output. If they are
absent, the entire array will be output.

DISPLAY Statement

nn DISPLAY {R( i :j ),P( i :j ),C( i :j ),V( i :j ),IX(i :j ),IS(i :j )}


The DISPLAY statement prints out calculator-supplied array values to the
standard report file during calculations. Entries i and j are defined in the same
way as the OUTPUT statement.

TRACE Statement

nn TRACE option
TRACE statements control printing an historical trace as calculations proceed to
facilitate debugging the code in the procedure. Options are:
ON Prints line number, statement number, and (action taken/new variable value)
as each statement executes.
BRANCH Prints TRACE information only for branching statements such as IF,
GOTO or DO.

162 PRO/II USER GUIDE JUNE 2006


OFF Turns off all TRACE options.

Examples:
TRACE BRANCH Traces branching only.
TRACE OFF No trace at all.
TRACE ON Traces every statement.

Calculation Termination Statements

nn STOP - This statement stops all flowsheet calculations and proceeds directly
to the output report. The solution flag for the entire flowsheet is set according to
the user-defined value of ISOLVE.

nn RETURN The RETURN statement signals the end of the calculation


procedure of the Calculator and must appear as the last statement in the
procedure section. Only one RETURN statement is allowed. The solution flag for
the Calculator is set according to the user-defined value of ISOLVE. RETURN
always sets TRACE to OFF.

Sample Calculator Procedures

Example 1: Determination of Flash Point

Use Nelsons method to estimate the flash point from D86 distillation
characterization data. This sample shows how to calculate the flash points of
streams V1, V2, V3, V4, V5, and V6 using the formula:

P= 0.64 * (D86(10)+D86(ip))/2.0 - 100.0

where the D86 points are in F. The final results in C are stored in R(1) through
R(6).

Before entering the procedure FORTRAN code, it is necessary to specify the


streams (V1 through V6) and establish the two pertinent parameters (the D86
10% and IBP temperatures) for each stream:

Open the Calculator main data entry window by double-clicking the


Calculator icon on the PFD.
Click Edit/View Declarations to display the View Area box. Click
Parameters to display the Parameters data entry table.
Enter a number in the Parameter Number data entry field to enable the
Calculator Parameter linked text. Click on the linked text to open the
Definitions window.
Check the Set Up Definition for Calculator Parameter P(1) box to enable
the Calculator Parameter = Parameter linked text.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 163


Click the Parameter hypertext to open the Parameter window where
you can specify whether the parameter will be a constant,a stream
parameter or a unit parameter. The Constant/Stream/Unit list box
displays a list with the options Constant, Stream and the various types
of unit operations that have been placed on the flowsheet.
For this sample problem, select the Stream option and choose V1 from
the Stream Name: drop-down list box. Choosing a stream name enables
the Parameter hypertext.
Click the linked text to open the Parameter Selection data entry window.
For this sample, choose Distillation Curve from the options in the
Parameter window. The center window will now display the available
distillation curve options. Select D86 from the distillation curve options
and choose the desired cut point (here, 10%) from the Volume Percent
Distillate drop-down list box.

This completes the parameter specification for the D86(10%) point of the first
stream, V1. Repeat these steps to define the D86(Initial Point) for the first
stream, V1, then define the D86(10%) and D86(Initial Point) for the remaining
five streams.

Enter the following code into the Procedure window (at this point, this
window should still be outlined in red).

DIMENSION D8610(6), D86IP(6)


DO10 I =1,6
$
$ COPY PARAMETERS TO LOCAL ARRAYS,
$ CONVERTING TO DEG F
D8610(I) = P(2*I-1) * 1.8 + 32.
D86IP(I) = P(2*I-1) * 1.8 + 32.
$
$ EVALUATE FORMULA
D86AVG = (D8610(I) + D86IP(I)) / 2.
FP = (D86AVG * .64 - 100.
$
$ CONVERT BACK TO DEG C AND STORE
R(I) = (FP - 32.) / 1.8
10 CONTINUE
RETURN

Commit the code by clicking OK.

Example 2: Material Balancing with the Calculator

This sample demonstrates the use of the Calculator to compute the material
balance of hydrogen (component 2) about a recycle loop. We will set the solution
flag to indicate unit not solved if the hydrogen balance is not met to within
0.01% based on the overall feeds. This specification forces the recycle to

164 PRO/II USER GUIDE JUNE 2006


continue iterating, even if the flowing streams have changed less than the
flowsheet stream tolerance. See the ISOLVE and ISn entries in the Predefined
Variables table on page 152 for a listing of solution flags and for an explanation
of the use of the Isn variable in SEQUENCE statements.

Before entering the procedure code, we must:

Establish the Stream Sequence for the recycle loop.


Provide a label for the Result.

Establishing the Stream Sequence:

The streams pertinent to this example are a hydrogen feed stream (H2FD), two
feed streams (FD1, FD2), a purge gas stream (PURG), and vapor and liquid
product streams (PRDV, PRDL).

To set up the stream sequence that will be used by the Calculator, carry out the
following steps:

Open the Calculator main data entry window by double-clicking the


Calculator icon.
Click Stream Sequence to display two windows, one containing a list of
Available Streams and the other a list of Selected Streams.
Add the streams H2FD, FD1, FD2, PURG, PRDV and PRDL in the given
order. If you add the streams in the wrong order, you can easily change
their sequence by removing the improperly positioned stream from the
Selected Streams window and reinserting it before or after the
appropriate stream that you have highlighted in the Selected Streams
window.

Labeling the Result:

When you have established the desired stream sequence, click Results
to display the Result Number and Print Name data entry table.
Enter 1 in the Result Number field of the first row to enable the Print
Name entry field. This integer is stored in the first position of the R()
array. For this sample problem, call the result Relative MB.
Enter the following code into the Procedure window, which should still be
outlined in red at this point:

$ SUM UP H2 IN FEED STREAMS


$ HYDROGEN IS THE SECOND COMPONENT IN THE COMPONENT LIST
$ SCMR(2, n) IS THE MOLAR FLOWRATE IN THE nth STREAM
$

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 165


H2FEED = 0.0
DO 10 IS1 = H2FD, FD2
H2FEED = H2FEED + SCMR(2,IS1)
10 CONTINUE
$
$ CHECK IF ANY H2 IN FEED. IF NOT, SET NOT SOLVED FLAG.
$
IF (H2FEED .LT. 0.0001) THEN
R(1) = 0
ISOLVE = 2
GO TO 99
ENDIF
$
$ SUM UP H2 IN PRODUCTS
$
H2PROD= 0.0
DO 20 IS1 = PURG, PRDL
H2PROD = H2PROD + SCMR(2, IS1)
20 CONTINUE
$ CALCULATE IMBALANCE
$
R(1) = (H2FEED - H2PROD) / H2FEED
$
$ CHECK IF IN BALANCE. IF SO, RETURN.
$ IF NOT, SET NOT SOLVED FLAG.
$
IF(ABS(R(1)).LE.0.001) THEN
ISOLVE =1
ELSE
ISOLVE =2
ENDIF
$
99 RETURN

166 PRO/II USER GUIDE JUNE 2006


CAPE-OPEN

General Information
The PRO/II CAPE-OPEN unit operation enables the users to add third party
CAPE-OPEN units. This will help the user to simulate and perform any type of
calculation for a specific unit operation placed in a flowsheet.

CO-LaN (the CAPE-OPEN Laboratories Network) is a neutral industry and an


academic association promoting open standards in process simulation software.
CAPE-OPEN has uniform standards for interfacing process modeling software
components developed specifically for the design and operation of chemical
processes. These standards allow integration of different software components
like unit operations and thermodynamic property packages from different vendors
into a single simulation.

PRO/II supports both versions of 0.9.3 and 1.0 of the CAPE-OPEN interfaces.
The CAPE-OPEN Unit Operation has access to the following:

Flash and Physical property calculations provided by PRO/II


Third party CAPE-OPEN property package.

Property values exchanged between PRO/II and CAPE-OPEN unit operation are
in SI units.

CAPE-OPEN interface descriptions and information are available at


http://www.colan.org/

Note: If transport properties are required in the CAPE-OPEN unit operation, you
must select a suitable method in the Thermodynamic Data if PRO/II
thermodynamics is selected.

Installing CAPE-OPEN Unit Operations

To install a new CAPE-OPEN unit operation or property package, execute the


install program provided by the vendor. The install program should perform all
actions necessary to copy the files to your computer and set up the required
entries in the Windows Registry. After installation, you can launch PRO/II and
immediately use the new CAPE-OPEN software components.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 167


If the CAPE-OPEN unit operation does not have an installation program, follow
the steps mentioned below to manually register the unit operation .

1. Identify the DLL file of the CAPE-OPEN unit operation.

2.Type "regsvr32 myunitop.dll", where "myunitop.dll" is the name of the DLL of


the CAPE-OPEN Unit Operation.

3.Identify the "progid" of the CAPE-OPEN unit operation. The "progid" is a short
text string, such as "SimSci.Mixer" that Windows uses to identify the DLL.
Contact the developer of the unit operation to determine the "progid".

4.From the command prompt, type "CapeRegister.exe progid".


"CapeRegister.exe" is an utility available in the PRO/II "bin" directory.

Selecting the CAPE-OPEN Unit Operation

Install the CAPE-OPEN unit operation, as described above, and launch PRO/II to
use the new CAPE-OPEN software components. When the new CAPE-OPEN
unit operation is laid down on the PFD, a dialog will be displayed with a drop-
down list box filled with registered CAPE-OPEN unit operations. User must select
programid of the required unit.

Feeds and Products

Unit Operation may have multiple feed streams and use the data for various flash
and property calculations. PRO/II queries the unit operation for a required
number of unit ports. The icon is automatically supplied with the required number
of ports with one stream allowed for each port.

Note: Material type ports are handled while the energy and information type
ports are not supported.

Display Unit Operation on PFD


To place a CAPE-OPEN unit operation, double-click the icon on the PFD. If the
unit operation supports a custom GUI, the built-in GUI for the unit operation is
displayed.

If the unit operation does not support a custom GUI , PRO/II displays all
parameters in the default data entry window. All values are displayed in SI units.

168 PRO/II USER GUIDE JUNE 2006


Saving the state of CAPE-OPEN Unit Operations

PRO/II supports COM Persistence mechanisms through IStream, IStreamInit,


IStorage and IPropertyBag interfaces. PRO/II creates a file named przname-
uid.dat for storing state.

If CAPE-OPEN Unit does not support COM persistence, PRO/II saves the state
of the CAPE-OPEN unit operation by querying all input and output parameters
and storing their values in the underlying PRO/II database.

Calculation

During calculations, PRO/II calls the Validate() and Calculate() method of the
CAPE-OPEN unit operation. Property and flash calculations are delegated to
property package if property package is selected as unit thermodynamics. If
PRO/II thermodynamics is selected for a CAPE-OPEN unit operation, it may call
TP,TH,PH,TVf and PVf flashes(CalcEquilibrium) for input or output streams. The
following properties can be calculated using PRO/II thermodynamics.

CAPE-OPEN Property meaning Phases Supported


identifier
vaporPressure Vapor Pressure only for Pure calc type Liquid
surfaceTension Surface Tension Liquid
compressibilityFactor Compressibility Factor Z= PV/RT Liquid, Vapor, Overall
heatCapacity Heat Capacity Liquid, Vapor, Overall
idealGasHeatCapacity Heat Capacity of ideal gas Vapor
viscosity Viscosity Liquid, Vapor, Overall
thermalConductivity Thermal Conductivity Liquid, Vapor, Overall
fugacity Fugacity Liquid, Vapor
logFugacityCoefficient Logarithm of Fugacity Coefficients Liquid,Vapor
kvalues K factors of a pair of phases in Equilibrium Overall
dewPointPressure Dew point Pressure at a given temperature Overall
dewPointTemperature Dew point Temperature at a given Pressure Overall
temperature Temperature Liquid, Vapor, Overall
pressure Pressure Liquid, Vapor, Overall
volume Volume Liquid, Vapor, Overall
density Density Liquid, Vapor, Overall
enthalpy Enthalpy Liquid, Vapor, Overall
entropy Entropy Liquid, Vapor, Overall
gibbsFreeEnergy Gibbs Free Energy Liquid, Vapor, Overall
flow List of partial Molar(or mass) flows for each Liquid, Vapor, Overall
component within a given phase
fraction List of partial Molar(or mass) fractions for Liquid, Vapor, Overall
each component within a given phase

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 169


phaseFraction The fraction of the fluid that is in specified Liquid, Vapor
phase
totalFlow Mass flow of a phase or whole mixture Liquid, Vapor, Overall
molecularWeight MolecularWeight Liquid, Vapor, Overall
boilingPointTemperature Only supported for Pure calc type

Report Generation

If the custom reports is supported by CAPE-OPEN unit operation, select and


right-click the unit operation. This action will display a menu with Produce
Report as one of the options. Select Produce Report to open a text file.
If the custom reports are not supported, the menu will have View Results as
one of the options. Select View Results to display all input and output parameters
with their values.

Note:The standard report of PRO/II will have all input and output parameters with
their values for CAPE-OPEN units.

170 PRO/II USER GUIDE JUNE 2006


Column, Batch

General Information

The Batch Column unit operation models a wide range of column operating
scenarios. The Batch Column unit may be run in a true batch simulation mode,
with the feedstock charged to the stillpot prior to distillation and products taken
from the accumulator at various times, or in a semi-batch mode where feedstock
may be introduced during distillation and products drawn from the column or
accumulator over some time interval. Batch distillation calculations may also be
integrated into a steady-state process simulation.

The unit configuration automatically considers the presence of implicit holding


tanks for continuous flow streams which provide the time-variant feedstock to the
batch unit. Implicit consideration of holding tanks for all product streams (as
drawn from the accumulator at different times, or as drawn from the column
during distillation) is also made because of the cyclic operation. A representation
of the product continuous flow stream comes from the amount of product divided
by the batch cycle time.

Thermodynamic System

The thermodynamic system for the Batch Column may be specified for the unit
as a whole or for selected trays. Batch Column also allows the use of electrolyte
thermodynamic methods.

BATCHFRAC


This is a batch distillation model obtained from Koch-Glitsch. BATCHFRAC has
been integrated with PRO/II to handle reaction on trays for VLE, VLLE on all the
stages and heat duty specification for trays apart from Batch distillation.

Detailed Information


For detailed information about the use of BATCHFRAC and Batch Column unit
operations, consult the PRO/II Add-On Modules Users Guide.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 171


Column, Distillation

General Information

The Column unit operation may be used to simulate any distillation or liquid-liquid
extraction process. Liquid-liquid extraction units are described in the Liquid-
Liquid Extraction Column section of this chapter. A column must contain at least
one equilibrium stage or theoretical tray. For purposes of this discussion, the
term trays is used to denote equilibrium stages. The trays are considered to
be linked with the vapor from each tray entering the next higher tray and the
liquid from each tray feeding the next lower tray. There is no limit on the number
of trays in a column model.

The condenser, when present, is always numbered as tray one and the reboiler,
when present, is assigned the highest tray number in the model. Any tray may
have a feed, product draw, or duty. The top and bottom trays must have either a
feed or a duty.

Distillation columns may simulate vapor/liquid, vapor/liquid/water or


vapor/liquid/liquid equilibrium processes.

Feeds and Products

Column feeds and products are added during the flowsheet construction in the
PFD main window. Click Column Feeds and roducts on the Column main data
entry window to open the Column Feeds and Products window.

Feed tray numbers may be added or changed in this window. There is no limit on
the number of feeds a column may have. The feed flash convention to use for all
feeds to the distillation column is selected with radio buttons as:

Vapor and liquid to be on the feed tray: The default.

Flash the feed adiabatically, vapor onto the tray above and liquid onto the
feed tray.

For this option, the vapor is placed on the feed tray when it is the bottom tray of
the column.

172 PRO/II USER GUIDE JUNE 2006


For products, the product type, phase, tray number, and flowrate are supplied in
this window. There is no limit on the number of products a distillation column may
have and products may be withdrawn from any tray of the column. Product types
include: Overhead, Bottoms, Fixed Rate Draw, Total Phase Draw, and
Pseudoproduct. Every column must have an overhead product leaving tray one
and a bottoms product leaving the highest numbered tray. The Sure, Inside-Out
(IO) and Enhanced IO algorithms may have a decanted water product from tray
one (the condenser).

The Sure algorithm may also have water draws from any tray. For
vapor/liquid/liquid equilibrium (VLLE) processes, either of the liquid phases may
be drawn from any tray in the column.

You must supply product rates for all fixed rate draw products in molar, mass, or
liquid volume units. You must also provide an estimated value for either the
overhead or bottoms product. For total draw products, the supplied rate is always
assumed to be an estimate. The estimated value for the overhead or bottoms
rate should be as accurate as possible to enhance convergence. You must use a
Performance Specification to set a desired flow for the overhead or bottoms
product.

Pseudoproducts

Pseudoproducts are used to create streams corresponding to column internal


streams, making them available for flowsheet calculations. Define
pseudoproducts in the Column Pseudoproducts window which you may reach by
clicking Pseudoproducts on the Column Feeds and Products window. The
following types of pseudoproducts are available:
Net tray liquid or vapor flow
Total tray liquid or vapor flow
Pumparound liquid or vapor bypass flow
Thermosiphon reboiler feeds and products

Thermosiphon reboiler streams are limited to the Inside-Out algorithm.

Column Algorithm

Select the solution algorithm from the drop-down list box, on the Column main
data entry window. The available algorithms are: Inside-Out (the default), Sure,
Chemdist, Liquid-Liquid, Enhanced IO, and Electrolytic. Detailed information
about the column algorithms is available in the online help.

Inside-Out: The Inside-Out algorithm is the preferred option for most distillation
problems, especially those involving systems of hydrocarbons, because of its
speed and insensitivity to the estimated solution profiles.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 173


Sure: The Sure algorithm should be used for columns where free water exists on
multiple trays.

Chemdist: The Chemdist algorithm is well suited to highly nonideal systems and
VLLE processes.

Liquid-Liquid: The Liquid-Liquid algorithm is used to model liquid-liquid


extraction units described in the Liquid-Liquid Extraction Column section of this
chapter.

Enhanced IO: The Enhanced IO column algorithm extends the capabilities of the
default Inside-Out algorithm. Enhanced IO allows zero flowrates, water decant off
any tray, total draws from trays and pumparounds.

Electrolytic: The Electrolytic method is used to model non-ideal aqueous


electrolytic distillation columns involving ionic species. Refer to the PRO/II Add-
On Modules Users Guide for detailed information on this column algorithm.

RATEFRAC Software: Rate-based distillation (RATEFRAC ) routines
rigorously calculates the actual mass transfer on the stage, avoiding the need for

component efficiencies. The non equilibrium stage model used in RATEFRAC
routines uses fundamental heat and mass transfer to model a distillation stage.

Reactions

Reactions in the column can be modeled by the Chemdist or Liquid-Liquid


extraction algorithms found in the Algorithm drop-down list of the Column
window. Enter pertinent data in the Column Reaction Selection window
accessible via the Reactions button on the Column window. In the Column -
Reaction Selection window, you can select and modify column reactions, specify
stage-wise reacting volumes, designate non-condensible components, select
non-volatile catalysts and specify data for user-added subroutines or kinetic
proce-dures. The reactions specified here are limited in scope to the simulation
of reactive distillation and (reactive) liquid-liquid extraction.

Column - Reaction Selection

To modify reaction sets defined in Reaction Data, select the Include Reactions in
Column Calculations check-box. All the reactions defined via Input/Reaction Data
are now available to the column. Reactions can be selected from a drop-down list
under Reaction Set from Reaction Data, and a local set-name and description
can be assigned. Moreover, the individual reactions can be modified in the
Reaction Definitions window by clicking Modify Data.

RATEFRAC is a Registered trademark of Koch-Glitsch

174 PRO/II USER GUIDE JUNE 2006


The selected reaction sets can also be assigned to individual trays (or ranges of
trays) by selecting reaction sets from a drop-down list under Column Reaction
Set and then entering a tray range, i.e., starting tray to ending tray.

Note: Although you can modify a local copy of a reaction set in the column, the
original reaction set specified in the Reaction Data section remains unchanged.

Reacting Volumes

The user can specify volume available for reaction (effective volume) per stage
for both liquid and vapor phase reactions in the Column Tray Effective Reaction
Volumes window accessible from the Reaction Selection window. A tabulation of
tray numbers and the respective volumes is provided for data entry. This
specification is used in calculating the rate of kinetic reaction.

Nonvolatile Catalyst

Components that catalyse a reaction without volatilizing can be selected and the
quantity of their charge specified as an amount or a fraction in the Column - Non-
Volatile Catalyst for Boiling Pot window accessible from the Column - Reaction
Selection window.

Noncondensibles

Noncondensing components can be specified in the Column - Non-Condensing


Components window accessible from the Column Reaction Selection window.

Subroutine/Procedure Data

Data used for user-added subroutines and kinetic procedures can be specified in
the form of Integer, Real and Supplemental Data entries in the Column - User
Subroutine and Procedure Data window accessible from the Column - Reaction
Selection window via the Subroutine/Procedure Data button. See the Reaction
Data and Procedure Data sections, in this chapter, for detailed information on the
data requirements for these utility modules.

Modify Data (Reaction Data)

All data pertaining to a reaction (in a specified reaction set) can be modified
except for reaction stoichiometry - in the Column-Reaction Definitions window
accessible via Modify Data in the Column-Reaction Selection window. The
calculation method for a reaction can be modified to follow a user-added
subroutine, procedure or kinetic power-law expression. The reaction type can
also be changed to Kinetic, Equilibrium or Conversion. All reaction data that

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 175


completely specify any of the above reaction types (except stoichiometry) can be
changed in the data entry fields accessible via the Enter Data button under the
Additional Data column for the respective reaction.

Instructions for entering data for the three types of reactions (Kinetic, Equilibrium
and Conversion) are covered in detail, in the Reaction Data section of this
chapter.

Calculated Phases

Select the appropriate phase system in the drop-down list box on the Column
main data entry window. All distillation algorithms support the default phase
system of vapor/liquid. The Sure and Chemdist algorithms also support the
vapor/liquid/liquid system. In addition, the Sure and Enhanced IO algorithms
support the phase system vapor/liquid/water that allows a free water phase on
any tray of a column.

Number of Trays

Enter the number of trays in the model, in the data entry field provided on the
Column main data entry window. Every Column must have at least two trays.
There is no limit on the number of trays in a Column.

Number of Iterations

Supply the number of iterations in the data entry field provided on the Column
main data entry window. The number of iterations corresponds to the number of
outer loop trials for the Inside-Out algorithm and the number of trial solutions for
the other algorithms. A nonconvergence is flagged when this number of iterations
is performed and the column equations are not satisfied within the tolerances.
The default values are 15 for the Inside-Out algorithm, 10 for the Sure algorithm
and 20 for the Chemdist algorithm.

Pressure Profile

The pressure for every tray in a column model must be defined. All calculations
are performed at the defined tray pressures. Define the tray pressures in the
Column Pressure Profile window which you may reach by clicking Pressure
Profile on the Column main data entry window. Tray pressures may be
supplied on an overall or tray-by-tray mode by choosing a radio button in this
window.

For the overall mode, supply the top tray pressure (tray two for columns with
condensers) and either the pressure drop per tray or the total pressure drop
aross the column. A default value of zero is supplied for the pressure drop per

176 PRO/II USER GUIDE JUNE 2006


tray and the column pressure drop. All tray pressures are derived by linear
application of the supplied pressure drop.

Individual tray pressures are supplied for the tray by tray mode. Note that the top
and bottom trays must be included when supplying a table of individual tray
pressures. Missing pressures are determined by linear interpolation of supplied
values. This method is useful for defining the pressure profile for columns with
irregular pressure profiles such as refinery vacuum units.

Condensers

The condenser is always a heat sink on tray one. It is defined in the Column
Condenser window, which you may access by clicking Condenser on the
Column main data entry window. The top products from columns with
condensers correspond to the products from the reflux accumulator drum. The
pressure for all types of condensers is supplied in this window.

The condenser type is selected with the appropriate radio button from the
following options:

Partial: This condenser is an equilibrium stage and may or may not have a net
liquid product as well as vapor product. The net liquid product, if present, is
defined as a Fixed rate liquid draw from tray one. The condenser temperature is
the dew point of the equilibrium vapor. An optional estimate for the condenser
temperature may be supplied in the Column Condenser window. The condenser
pressure and duty may also be supplied.

Bubble Temperature: The tray two vapor is cooled to a bubble point liquid
phase. While one portion is returned as reflux to tray two, the other portion is
withdrawn as the Overhead product from the column. An optional estimate for
the condenser temperature may be supplied in the Column Condenser window.
The condenser pressure and duty may also be supplied.

Subcooled, Fixed Temperature: The tray two vapor is cooled below its
bubble point as defined by a subcooled temperature provided in this window.
PRO/II ascertains that the product is subcooled, and if, not, signals a
nonconvergence condition with an appropriate diagnostic message. The
subcooled liquid product is designated the Overhead product from the column.
The condenser pressure and duty may also be supplied.

Subcooled, Fixed Temperature Drop: This condenser is the same as the


subcooled type described above except that the degrees of subcooling below the
product bubble point is defined, always resulting in a subcooled Overhead
product. The duty and pressure for the condenser may also be supplied in this
window, if desired. If the duty is designated as a parameter to vary, any supplied
duty for any of these condenser options is used as an estimate.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 177


Subcooled Reflux Only: This option will be enabled only if you have selected
Partial or Bubble Temperature under Condenser Type. Select the appropriate
Temperature specification namely, Fixed Temperature or Temperature Drop that
needs to be followed in the Subcooled reflux for the chosen condenser type.

Column Reboilers

Column reboilers are described in the Column Reboiler window which is entered
via the Reboiler button on the Column main data entry window. The reboiler type
is selected with a radio button on this form.

The default type is the Kettle (Conventional) reboiler, which corresponds to a


duty on the bottom tray of the column with the equilibrium liquid withdrawn as the
Bottoms product.

For both Inside-Out and Enhanced IO algorithm, following reboiler types are
available to the user.
Thermosiphon without Baffles, and
Thermosiphon with Baffles.

For other algorithms, only default type is made available to the user.

The thermosiphon without baffles type corresponds to the case when the Column
bottom product and reboiler feed are withdrawn from a common sump.

Note: Thermosiphon reboilers with baffles in which the reboiler return flows into
the reboiler sump and overflows to the product sump are equivalent to the no
baffles type for simulation purposes and should be modeled as such.

One specification may be selected for thermosiphon reboilers by choosing the


appropriate radio button and entering a value in the field provided. Choices
include:

Reboiler return liquid fraction


Return temperature
Temperature change across the reboiler
Reboiler circulation rate.

An estimate for the return fluid liquid fraction or circulation rate, as is applicable,
may be given to enhance convergence. The duty for the reboiler may also be
supplied in this data entry window, if desired. If the duty is designated as a
parameter to vary, any supplied duty is used as an estimate.

178 PRO/II USER GUIDE JUNE 2006


Heaters and Coolers

Side heaters and coolers may be supplied via the Column Side Heaters/Coolers
window accessible via the Heaters and Coolers button on the Column main
data entry window. Side heaters and coolers that are associated with a
pumparound are not entered with this window. A negative duty indicates cooling;
a positive duty is used for heating. There are no limits on the number of side
heaters/coolers.


RATEFRAC routines supports heating and cooling for both phases
(Liquid/Vapor).

For each side heater/cooler, the following information must be provided: tray
number, a reference name, and the duty, with the appropriate algebraic sign.

Flash Zones

The Flash Zone calculation models a fired heater added to a tray in an Inside-Out
column. Flash zones are associated with column heaters when a feed stream
entering the column is heated in a separate furnace. The furnace is considered
as an additional theoretical stage. Liquid from the tray above the flash zone or
vapor from the tray below the flash zone could enter the flash zone or they can
bypass it. Data entry fields for flash zones can be accessed through the like-
named button on the Heater data entry window. Specification options include
fired heater efficiency, vapor and liquid by-pass fractions and transfer line
temperature drop.


Note: If you are working with RATEFRAC routines, this option is disabled.

Column Heat Leaks

Column heat leaks may be modeled by clicking Heat Leak on the Column Side
Heaters/Coolers window to open the Column Heat Leak window. The heat leak
may be designated as:
Overall, or,
By Individual Trays


RATEFRAC is a Registered trademark of Koch-Glitsch.

For the Overall option, the heat leak duty for all of the trays except the reboiler
and condenser is given on a per tray basis or total column basis. A heat leak may
also be provided for the condenser and the reboiler, if desired.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 179


For the By Individual Trays option, heat leak duties for ranges of trays are
supplied as tabular input. At least two values must be supplied. Heat leaks for
trays not given, but which lie between trays with defined heat leaks, are
determined by linear interpolation.

Note: If you are working with RATEFRAC routines, this option is disabled.

Pumparounds and Vapor Bypasses

Column pumparounds and vapor bypasses may be defined for the Inside-Out
and Sure algorithms in the Column Pumparounds window, which is accessed via
the Pumparounds button on the Column main data entry window. A
pumparound may be either a liquid or vapor, with vapor pumparounds more
commonly termed bypasses.

Pumparounds are added and edited in a tabular form by clicking on hypertext


strings. Entries for each pumparound include: phase, pumparound name, draw
tray, return tray, return pressure, and two specifications. Supply these
specifications in the Column Pumparound Specifications window which is
entered by clicking the two specifications hypertext string.

The following specification combinations are selectable via radio buttons:

Rate and Duty: The rate and duty data entry fields are enabled for input. A
reference name may also be supplied for the heater.

Rate without Heater: The rate field only is enabled for input.

Rate and Return Condition: The rate and return condition fields are enabled for
input. The return condition may be the temperature or the temperature drop or
the liquid fraction. A reference name may also be supplied for the heater.

Duty and Return Condition: The duty and return condition fields are enabled for
input. The return condition may be the temperature or the temperature drop or
the liquid fraction. A reference name may also be supplied for the heater.

For the Sure algorithm only, the pumparound rate may be designated as
the total fluid leaving the tray. Total liquid pumparounds must pump down the
column and total vapor pumparounds (bypasses) must flow up.

RATEFRAC is a Registered trademark of Koch-Glitsch.

180 PRO/II USER GUIDE JUNE 2006


Initial Estimates

All column algorithms use an iterative solution technique, starting from an initial
estimate of the tray temperature, flow and composition profiles. The initial
estimate may be produced internally using an initial estimate generator and/or
provided by the user as initial profile data. User-supplied profiles may also be
used to selectively replace values produced by an estimate generator.

Click Initial Estimates on the Column main data entry window to enter the
Column Initial Estimates window. To use an initial estimate generator, select the
generator method from the drop-down list box. Methods provided are:

Simple: Profiles are determined by a simple material balance. Temperatures are


determined from estimated product compositions. This model is quick and
adequate for simple column configurations.

Conventional: A general method designed to produce an adequate estimate for


most distillation problems. Shortcut calculations are used to estimate the product
flows and compositions. The compositions are used to estimate temperatures.
Internal flows are estimated by using the product flows and a reflux estimate.
This method works best for conventional fractionators with condensers and
reboilers in which classic Fenske techniques provide reasonable results. Special
techniques are also included for absorbers and strippers.

Refinery: This method is designed for complex refinery columns which have
bottom steam instead of reboilers such as crude and vacuum columns, F.C.C.
main fractionators, etc. These columns may also have side columns,
pumparound cooling circuits, and decanted water at the overhead accumulator. A
multi-product shortcut technique developed by SIMSCI is used for these
columns. The user-supplied estimates for the product rates are used in the
shortcut model. Adjustments in the profiles are made for side coolers.

Chemical: This generator should be restricted to highly nonideal chemical


distillation problems. The method is time-consuming and uses successive series
of adiabatic flashes up and down the column to establish the tray compositions.

When using an estimate generator, you may optionally provide temperature


estimates for the following trays: condenser, top tray, bottom tray of column, and
reboiler. You may also provide an estimate for the reflux rate or reflux ratio.
When no reflux estimate is provided by the user, PRO/II supplies a reflux ratio of
3.0 (which solves many columns). Any supplied data replaces values predicted
by the estimate generator.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 181


When an initial estimate generator is not used, the minimum data which must be
supplied as input profiles are tray temperatures and flows, either vapor, liquid, or
a combination thereof. Note that the minimum data which may be supplied are
the temperatures and flows for the top and bottom trays for the column. While
these are the minimum data required, they are rarely adequate to produce an
acceptable initial estimate. It may also be desirable to provide solution profiles
from a converged solution to speed future calculations with a column model.

Initial profiles are entered in tables accessed by clicking the following buttons on
the Column Initial Estimates window:

Net Vapor Rates


Vapor Composition
Liquid Composition
Tray Temperatures
Net Liquid Rate
Mass Transfer

Composition estimates may be helpful for highly non-ideal mixtures; however,


they are rarely needed for most problems.

RATEFRAC Initial Estimate:

For RATEFRAC routines, Initial Estimate may be used to perform Initial
Estimate. Option is also provided to include design specifications.

By default, the Perform Initial Estimate option is checked to provide the user to
have an estimate on Temperature and Reflux, etc.

Check Include Design Specs in Estimate to include design specifications to be


considered during Initial Estimate.

Tolerance: Enter the Tolerance value.

Liquid/Vapor Flow Transformation: Select the appropriate Liquid/Vapor Flow


Transformation from the drop list.
Standard
Square
Logarithmic


RATEFRAC is a Registered trademark of Koch-Glitsch.

182 PRO/II USER GUIDE JUNE 2006


Performance Specifications

Performance specifications or SPECs may be imposed on a column operation


such that product stream flows or properties, column internal flows, column tray
temperatures, etc., are at desired values in the solution. For each SPEC, a
degree of freedom or VARY must be calculated. For a column, a VARY may be a
feed stream rate, heat duty, or the draw rate for a fixed rate draw. Furthermore,
for convergence to be achieved, there must be a direct effect on all of the SPECs
by the collective set of VARYs.

To supply SPECs and define VARYs for a column, click


PerformanceSpecifications on the main Column data entry window to access the
Column Specifications and Variables window. SPECs and VARYs are entered or
edited by clicking on the hypertext strings. PRO/II requires that there be an equal
number of SPECs and VARYs. Thus, whenever you add or delete a SPEC, you
are required to add or delete a VARY.

SPECs and VARYs use the general form in PRO/II and are discussed more fully
in the SPEC/VARY/DEFINE section of this chapter. A list of the stream and
column parameters which may be used for SPECs and VARYs is also given in
that section.

Convergence Data

Convergence data include Convergence Parameters, Convergence Tolerances,


Homotopy Options for Convergence Specifications and Convergence History
(printout options) for Column iterations. These data are entered in the Column
Convergence Data window accessible via the Convergence Data button on the
Column main data entry window.

Convergence tuning parameters

Damping Factor: A damping factor of less than unity may be used to improve
convergence when the convergence is oscillating. Refinery complex fractionators
should be given damping factors of 0.8. Chemdist columns may require more
severe damping. A default value of 1.0 is supplied by PRO/II. Damping cannot be
applied to the Sure algorithm.

Damping Cutoff: The damping factor cutoff value is used for the Chemdist
algorithm. The damping factor is only applied when the sum of the errors is larger
than this value. A default value of 10-8 is supplied by PRO/II.

Error Increase Factor: This factor limits the increase in the sum of the errors
from iteration to iteration. PRO/II supplies a default value of 1.0 for the Inside-Out
algorithm or 100 for the Chemdist algorithm. This factor does not apply to the
Sure algorithm.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 183


Component Averaging Factor: This weighting factor for update of compositions
is used for the Sure algorithm. A factor of 1.0 gives equal weight to the current
and last set of compositions; a factor of 2.0 gives double weight to the last set of
compositions, and so forth. A default value of 0.0 is supplied by PRO/II.

Key Component: In rare circumstances, specifying a key component can


enhance the convergence for the Sure algorithm. The key component is normally
determined by PRO/II but may be specified by the user.

Stop if no improvement after 5 iterations: The number of consecutive Sure


algorithm iterations allowed without improvement in the solution. You can change
the number of iterations by clicking on the hypertext string. Changing this
parameter rarely, if ever, results in convergence.

Note: The use of tuning factors usually results in an increase in the time required
to solve a distillation problem.

Convergence Tolerances

Tolerances for the column equations may also be changed although this should
rarely, if ever, be done and never as a means to reach a converged solution.
Tolerances are:

Bubble Point: The maximum bubble point error for each tray.The default is 10 -3 ..


Not used for the RATEFRAC routines.

Enthalpy Balance: The maximum heat balance error for each tray. The default
is 10-3 .

Equilibrium K-value: The maximum allowable relative change in a component


K-value generated in the outer loop of the Inside-Out algorithm versus the last

value used in the inner loop.The default is 10-3 . Not used for the RATEFRAC
routines.

Component Balance: The maximum relative component balance error for each
tray. Not used for the Inside-Out algorithm. The default is 10-3 .


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184 PRO/II USER GUIDE JUNE 2006


Homotopy Options for Convergence on Specification

The homotopy option is an aid to converging simulations where the specification


is difficult to meet by virtue of the value of the specification (as opposed to the
type of specification). The homotopy option was designed for Reactive Distillation
where convergence is more complex, but it may be used for any column
algorithm.

One example of the use of homotopy is to systematically increase tray volumes


to very large values, to determine the equilibrium compositions for reversible
kinetic reactions.

The homotopy option allows you to solve the simulation with an initial value for
the specification and then automatically move to the desired final value in a set
number of steps. The column is converged at each step.

To use the homotopy option for any specification, you must supply the initial
value of the specification and the number of intervals to use in moving from the
initial value to the final value. You cannot change the final value in this window.

The homotopy option may be used for a specification which is varied by a


Controller or Flowsheet Optimizer. If Initially is selected under the field entitled
Apply During Control Loop (the default), the homotopy iterations will be carried
out to meet the given column specification. If the specification value is then
changed by another unit operation, the column will solve without homotopy
iterations. If Always is selected, the homotopy iterations will be carried out every
time the column is reconverged after the specification has been changed. In this
case, the initial value will be the last converged specification value, not the
supplied value.

Convergence History

Printout of the column iterations is useful in the diagnosis of a convergence


failure. History printout for the iterations may be requested by selecting the
printout level desired for the following options.

Convergence History Print Level


Print Column Profiles in Keyword Input File Form Format

RATEFRAC routines Initial Estimate Print Level


RATEFRAC is a Registered trademark of Koch-Glitsch.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 185


Tray Hydraulics

Tray hydraulic calculations may be used to size new columns and to rate existing
tray or packed columns. To perform sizing or rating calculations, click Tray and
Packing Data on the Column main data entry window. For sizing and rating
purposes, the column is divided into sections of trays or packing on the Column
Tray Hydraulics window. Enter tray/packing sizing and rating information in the
Column Tray/Packing Rating or Column Tray/Packing Sizing windows accessible
via the Enter Data button. The Glitsch valve tray method is used to perform the
tray calculations. The valve tray results are derated by five and twenty percent
respectively, to represent the performance of sieve and bubble cap trays.

For packed columns, random or structured packings are available, as are various
types of metallic and ceramic rings and saddles.

For sizing calculations, column diameter for each tray is sized independently to
meet the specified or default flooding criteria. The largest diameter in each
section is then selected and the entire section is rerated using the largest
required standard diameter.

For rating calculations, the percent of flood is calculated for each tray. The
feature of multiple sections of trays is useful in representing existing columns,
which often have a variety of tray and downcomer arrangements.

Column RATEFRAC Tray Options



Column RATEFRAC routines tray options may be used to select the following
Vapor and liquid mixing characteristics
Correlation used to calculate Mass, Heat Transfer and Interfacial Area.

Base Segment: Enter the Tray number on which the characteristics need to be
set. Base Segment will be made available to the user only if you have selected
the following in the Column Tray Hydraulics dialog box:
Internal Tray
Calculation Type - Sizing

Liquid/Vapor Mixing: Select the appropriate Liquid/Vapor Mixing characteristics


from the drop list:
Complete
Linear
Logarithmic

The options are explained below:



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186 PRO/II USER GUIDE JUNE 2006


Complete Select, if there is a complete mixing of liquid or vapor phase in the
column. This corresponds to a flat concentration profile across a tray. It is the
default value and for most cases provides good results.

Linear This option indicates that there is a linear concentration profile across the
tray.

Logarithmic This option indicates that there is a logarithmic concentration across


the tray.

Column RATEFRAC Packing Options



Column RATEFRAC routines Packing Options may be used to select the
following and enter the data required for calculation:
Vapor and liquid mixing characteristics
Correlation used to calculate Mass, Heat Transfer and Interfacial Area

Critical Surface Tension: Enter the Critical Surface Tension, if you have
selected Random Packing under Internal in the Column - Tray Hydraulics dialog
box.

Liquid/Vapor Mixing: Select the appropriate Liquid/Vapor Mixing characteristics


from the drop list:
Complete
Linear
Logarithmic

User needs to enter the above-mentioned data for both Sizing and Rating
calculation.

RATEFRAC Transport Calculation Methods


RATEFRAC Transport Calculation Methods is used to select a suitable
correlation for calculating Heat Transfer, Mass Transfer and Interfacial Area.

Heat Transfer
Check Correlation and Select Chilton - Colburn Correlation from the drop-down
list to calculate Heat Transfer.

Mass Transfer
Check Correlation and select the appropriate correlation name from the drop-
down list to calculate Mass Transfer:
Scheffe & Weiland (Internals - Trays and Sizing calculation type)
Chan & Fair (Internals - Trays and Rating calculation type)

RATEFRAC is a Registered trademark of Koch-Glitsch.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 187


Rocha 1996 (Internals - Structured Packing and for both Sizing and
Rating calculation type)
Onda (Internals - Random Packing and for both Sizing and Rating
calculation type)

Interfacial Area
Select any of the listed correlation to calculate Interfacial Area:
Scheffe & Weiland (Internals - Trays and Sizing calculation type)
Chan & Fair (Internals - Trays and Rating calculation type)
Rocha 1996 (Internals - Structured Packing and for both Sizing and
Rating calculation type)
Onda (Internals - Random Packing and for both Sizing and Rating
calculation type)
Bravo (Internals - Random Packing and for both Sizing and Rating
calculation type)

If the user-defined correlation is available for any of the parameters mentioned


above, check Subroutine and select the user-defined correlation from the drop-
down list.

Tray Efficiencies

All trays in a column model are treated as equilibrium stages or theoretical trays
unless one of the tray efficiency models is used. This implies that the user must
apply some type of tray efficiency to the actual number of trays in the column, to
determine the number of theoretical trays to use in the model. Engineers typically
use overall tray efficiency factors based on experience to convert actual trays to
theoretical trays. This is almost always the best manner in which to model tray
efficiency, since generalized correlations for overall tray efficiency are
nonexistent in the literature.

For the Inside-Out algorithm, PRO/II provides several tray efficiency models:

Murphree
Equilibrium
Vaporization.

For the Chemdist algorithm, only the Vaporization model may be used.

However, none of these models predicts the overall tray efficiency. All of the
models use an equation or factor to adjust the equilibrium vapor composition
leaving a tray. The models are useful for tuning a tray or a few trays in a Column
model, but their general application to all trays in a column is not recommended.

188 PRO/II USER GUIDE JUNE 2006


To use tray efficiencies, click Tray Efficiencies on the Column main data entry
window to enter the Column Tray Efficiency window.Select the efficiency model
with a radio button and click Efficiency Data to begin the tabular entry of tray
efficiencies. Tray efficiencies may be given for all components on a tray or
selected components on a tray. An overall scaling factor may also be provided to
be applied to all tray efficiencies. This factor may be adjusted by a Controller unit
to meet a desired SPEC.

Side Columns

A column using the Inside-Out or Sure algorithm may have attached Side
Columns, where a Side Column is a stripper or rectifier. The Side Column draws
feed from the main Column and returns a product to the main Column. A finished
product is withdrawn from the Side Column.

Side Columns are attached as part of the flowsheet construction in the PFD main
window. They may be completed and edited by double-clicking on the side
column icon on the PFD. The side column data entry windows are identical to the
Column main data entry windows with the exception that irrelevant features are
eliminated.

The Inside-Out algorithm merges a side column with the main column, for
calculations. This simultaneous approach means that the SPECs and VARYs for
the main column and side columns need not be balanced provided that the
SPECs and VARYs for the total column configuration are balanced.

The Sure algorithm solves side columns as separate columns in recycle. This
approach is more time consuming, and demands that the SPECs and VARYs for
the main column and every side column are balanced.

The Chemdist algorithm does not permit side columns.

Print Options

Click Print Options on the Column main data entry window to enter the Column
Print Options data entry window. Select the desired report options with the check
boxes provided. To request plotted results, click Plot Column Results and
select the desired plots with the check boxes on the Column Plot Options data
entry window.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 189



RATEFRAC Software Print Options: Click RateFrac to bring up Print
Options dialog box. By default, Calculated HETP for each segment option is
checked. Check the other options to make the data available in the generated
report.

Thermodynamic Systems

A thermodynamic system is required for the equilibrium calculations on each tray.


The thermodynamic system may be changed from the global default in the
Column Thermodynamic Systems data entry window, which is reached by
clicking Thermodynamic Systems on the Column main data entry window. A
single thermodynamic system may be defined for the complete column or
different systems may be used in individual sections of the column.

If a vapor/liquid equilibrium thermodynamic system is used for part of a column


with the Chemdist or RATEFRAC algorithm, additional checks may be performed
to determine which trays have two liquid phases by clicking the Test for VLLE or
VLE Trays check box. The thermodynamic system is then changed to a
vapor/liquid/liquid system for those trays.

If you are working with RATEFRAC routines, Test for VLLE or VLE Trays can
be performed by entering appropriate data in Column- VLLE Test Data window.


RATEFRAC is a Registered trademark of Koch-Glitsch.

190 PRO/II USER GUIDE JUNE 2006


Column, LiquidLiquid Extraction

General Information

The Column unit operation may be used to simulate any distillation or liquid-liquid
extraction process. Distillation columns are described in the Distillation Column
section of this chapter. Although liquid-liquid extraction (llex) columns are
generally not trayed, the distillation column nomenclature is used and the term
tray denotes an equilibrium stage. A LiquidLiquid Extraction Column must
contain at least two trays.

The trays are considered to be linked with the light-liquid phase moving up the
column and the heavy liquid moving down. There is no limit on the number of
trays in a liquid-liquid extraction column model. Any tray may have a feed,
product draw, or duty. There must be a feed to the top and bottom trays.

Note: Side columns may not be used with liquid-liquid extraction columns.

The following distillation column features are not applicable to LLEX columns and
will be disabled:

Condenser and reboiler


Pumparounds
Tray hydraulics
Tray efficiencies.

Feeds and Products

Column feeds and products are added as part of the flowsheet construction in
the PFD. They may be accessed from the Column Feeds and Products window
accessible via the Feeds and Products icon on the Column main data entry
window.

Feed tray numbers may be added or changed in this window. There is no limit on
the number of feeds a column may have.

For products, the product type, phase, tray number, and flowrate are supplied in
this window. There is no limit on the number of products a liquid-liquid extraction
column may have and products may be withdrawn from any tray of the column.
Product types include:

Overhead, Bottoms, Fixed Rate Draw, and Pseudoproduct. Every column must
have an overhead product leaving tray one and a bottoms product leaving the

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 191


highest numbered tray. The product phase may be Light Liquid (Liquid 1) or
Heavy Liquid (Liquid 2).

Product rates must be supplied for all draw products. Rates may be supplied in
molar, mass, or liquid volume units. An estimated value must also be provided for
either the overhead or bottoms product. The estimated value for the overhead or
bottoms rate should be as accurate as possible to enhance convergence. It is
necessary to use a Performance Specification to set a desired flow for the
overhead or bottoms product.

Pseudoproducts

Pseudoproducts are used to create streams corresponding to column internal


streams, making them available for flowsheet calculations. Pseudoproducts are
defined in the Column Pseudoproducts window accessible via the
Pseudoproducts button on the Column Feeds and Products window. The
following types of pseudoproducts are available:

Net tray light or heavy liquid flow


Total tray light or heavy liquid flow

Column Algorithm

The solution algorithm is selected in the drop-down list box on the Column main
data entry window. The Inside-Out (default), Sure, and Chemdist algorithms are
for distillation columns. To specify a liquid-liquid extraction column, select the
Liquid-Liquid option.

Calculated Phases

When the Liquid-Liquid algorithm is selected, the phase system will automatically
be set to liquid/liquid.

Number of Trays

The number of trays in the model is entered in the data entry field provided on
the Column main data entry window. Every Column must have at least two trays.
There is no limit on the number of trays in a Column.

192 PRO/II USER GUIDE JUNE 2006


Number of Iterations

The maximum number of trial solutions is supplied in the data entry field provided
on the Column main data entry window. The default value is 30 for the Liquid-
Liquid algorithm.

Pressure Profile

The pressure for every tray in a column model must be defined. All calculations
are performed at the defined tray pressures. The tray pressures are defined in
the Column Pressure Profile window, which is reached by clicking Pressure
Profile on the Column main data entry window. Tray pressures may be
supplied on an overall or tray by tray mode by choosing a radio button in this
window.

For the overall mode, the top tray pressure must be supplied and either the
pressure drop per tray or the total pressure drop aross the column. A default
value of zero is supplied for the pressure drop per tray and the column pressure
drop. All tray pressures are derived by linear application of the supplied pressure
drop.

Individual tray pressures are supplied for the tray by tray mode. Note that the top
and bottom trays must be included when supplying a table of individual tray
pressures. Missing pressures are determined by linear interpolation of supplied
values.

Heaters and Coolers

Side heaters and side coolers may supplied via the Column Side
Heaters/Coolers window accessible via the Heaters and Coolers icon on the
Column main data entry window. A negative duty indicates cooling; a positive
duty is used for heating. There are no limits on the number of side
heaters/coolers. For each side heater/cooler, the following information must be
provided: tray number, a reference name, and the duty, with the appropriate
algebraic sign.

Initial Estimates

The Liquid-Liquid algorithm uses an iterative solution technique, starting from an


initial estimate of the tray temperature, flow and composition profiles. By default,
the initial estimate is produced internally using the initial estimate generator.
User-supplied profiles may be used to replace some or all of the values produced
by the estimate generator.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 193


Click Initial Estimates on the Column main data entry window to enter the
Column Initial Estimates window.

When using the initial estimate generator, profiles are determined by a simple
material balance. Temperatures are determined from estimated product
compositions. You may optionally provide temperature estimates for the top and
bottom trays which replace values predicted by the estimate generator, as well
as an estimate of the ratio of the liquid flows on tray 1.

When the initial estimate generator is not used, the data which must be supplied
as input profiles are tray temperatures and flows, either light or heavy liquid, or a
combination thereof. Note that the minimum data which may be supplied are the
temperatures and flows for the top and bottom trays for the column. While these
are the minimum data required, they are rarely adequate to produce an
acceptable initial estimate. It may also be desirable to provide solution profiles
from a converged solution to speed future calculations with a column model.

Initial profiles are entered in tables accessed by clicking the following buttons on
the Column Initial Estimates window: Net Vapor Rate ,
Vapor Composition , Tray Temperature , Liquid Composition
and Net Liquid Rate . Composition estimates are rarely needed for
most problems.

Performance Specifications

Performance specifications or SPECs may be imposed on a liquid-liquid


extraction column operation such that product stream flows or properties, column
internal flows, column tray temperatures, etc., are at desired values in the
solution. For each SPEC, a degree of freedom or VARY must be calculated. For
a liquid-liquid extraction column, a VARY may be a feed stream rate, heat duty,
or draw rate. Furthermore, for convergence to be achieved, there must be a
direct effect on all of the SPECs by the collective set of VARYs.

To supply SPECs and define VARYs, access the Column Specifications and
Variables window via the Performance Specifications button on the main
Column data entry window. SPECs and VARYs are entered or edited via the
hypertext strings. PRO/II requires that there be an equal number of SPECs and
VARYs. Thus, when a SPEC is added or deleted, you are required to add or
delete a VARY.

SPECs and VARYs use the general form in PRO/II and are discussed more fully
in the SPEC/VARY/DEFINE section of this chapter. A list of the stream and
liquid-liquid extraction column parameters which may be used for SPECs and
VARYs is also given in this section.

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Convergence Data

Convergence data include algorithm tuning parameters, tolerances, and history


printout options for Column iterations. Open the Column Convergence Data
window via the Convergence Data button on the Column main data entry
window to enter these data. The tuning parameters are as follows:

Damping Factor: A damping factor of less than unity may be used to improve
convergence when the convergence is oscillating. A default value of 1.0 is
supplied by PRO/II.

Error Increase Factor: This factor limits the increase in the sum of the errors
from iteration to iteration. PRO/II supplies a default value of 100.

Note: The use of tuning factors usually increases the solution time. Tolerances
for the liquid-liquid extraction column equations may also be changed although
this should rarely, if ever, be done and never as a means to reach a converged
solution.

Tolerances are:

Liquid-liquid: The maximum liquid-liquid equilibrium tolerance (equal to the


bubble point tolerance for VLE) for each tray. The default is 10-3 .

Enthalpy Balance: The maximum heat balance error for each tray. The default
is 10-3 .

Component Balance: The maximum relative component balance error for each
tray. The default is 10-3 .

Printout of the liquid-liquid extraction column iterations is useful in


diagnosis of a convergence failure. History printout for the iterations may be
requested by clicking Convergence Data and selecting the printout level
desired.

Print Options

Click Print Options on the Column main data entry window to enter the Column
Print Options data entry window. Select the desired report options with the check
boxes provided. To request plotted results, click Plot Column Results and
select the desired plots with the check boxes on the Column Plot Options data
entry window.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 195


Thermodynamic Options

A thermodynamic system which supports liquid-liquid equilibrium is required for


the equilibrium calculations on each tray. The thermodynamic system may be
changed from the global default in the Column Thermodynamic Systems data
entry window which is reached by clicking Thermodynamic Systems on the
Column main data entry window. A single thermodynamic system may be
defined for the complete column or different systems may be used in individual
sections of the column.

196 PRO/II USER GUIDE JUNE 2006


Column, Side

General Information

The Side Column unit operation models side strippers and side rectifiers
associated with a main Column. The Side Column model is currently restricted to
the Inside-Out, Enhanced I/O and Sure algorithms. See Column Algorithm in the
Distillation Column discussion (page 191) for further information on these
methods. Side Columns always use the same distillation algorithm as the main
Column. Multiple Side Columns attached to one main Column are possible and,
in fact, are common practice in the petroleum refining industry.

Feeds and Products

Side Columns are added to the flowsheet with the Side Column unit icon and
attached to the main Column with the feed and product streams. Every Side
Column has at least one external product which exits the complex column
arrangement.

Solution Methods

Solution methods for Side Columns vary with the algorithm. The Inside-Out (and
Enhanced I/O) algorithm merges the Side Column with the main column and
solves the complex column arrangement simultaneously.
There are three benefits to this approach:
The simultaneous method results in more precision in the solution.
The simultaneous solution is more efficient and uses less computing
time.
The simultaneous solution provides more flexible product specifications.

For example, the last benefit permits the use of both a D86 (5%) and a D86
(95%) specification for a side stripper product. To solve this same set of
specifications with the Sure method requires the use of a Multi-variable Controller
unit wrapped around the main column/side column units.

The Sure method solves each side column separately from the main column and
uses recycle streams to relate the side column and main column. While special
recycle logic is used to converge the column/ side column recycle problem, this
method has three disadvantages when compared to the Inside-Out column
simultaneous treatment:

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 197


The solution is less precise since a recycle stream tolerance is used in
addition to the column equation tolerances.
The recycle approach is much slower.
Main column variables (except the main column draw rate) cannot be
directly related to the side stripper products. This makes it necessary to
use controllers to solve for more than one specification on a side
product.

Additional Information on Side Strippers

Side strippers are widely used to control the front end volatility (flash point) of
liquid products such as diesel, fuel and kerosene. The liquid product is drawn
from the main column and charged to the top tray of the side stripper, which
typically has 6 to 10 actual trays. A stripping medium (usually steam) is fed to the
bottom tray of the side stripper to strip about ten percent of the liquid feed (the
lightest material) which is then returned to the main column for further
fractionation together with the stripping medium. The stripped liquid is withdrawn
from the bottom tray of the stripper as a finished product. Steam side strippers
have an overall tray efficiency of about 25 percent and can be represented with
two theoretical trays.

A variation in side stripper design is the use of a reboiler on the bottom of the
side stripper to "heat strip" the liquid feed. No stripping medium is used for
reboiled side strippers. The advantage of this arrangement is a smaller stripped
vapor return stream to the main column which reduces the vapor loading for the
main column. Reboiled side strippers have higher tray efficiencies than those
which use a stripping medium. Therefore, three to five theoretical trays are
typically used to model these strippers.

Side strippers do not normally have any other items of equipment such as
condensers, pumparounds, side heaters/coolers, etc. Only the Sure method
permits the use of a condenser on a side stripper. This capability may find utility
when modeling some unusual types of column configurations.

Additional Information on Side Rectifiers

Side rectifiers are used to remove heavy materials from vapor draw products by
providing a rectification section. The vapor draw from the main column is fed to
the bottom tray of the side rectifier which may have a large number of trays. The
side rectifier must have a condenser or cooling duty at the top to condense the
liquid reflux which is used to rectify the vapor product.

The overhead product from the side rectifier is removed as a finished product.
The liquid from the bottom tray is returned to the main column for further
fractionation.

198 PRO/II USER GUIDE JUNE 2006


The side rectifier corresponds to the rectification section of a conventional
distillation column. An overall tray efficiency of 45 to 55 percent is reasonable for
many applications.

Side rectifiers do not normally have other items of equipment such as


pumparounds, side heaters/coolers, etc. Reboilers are never used for these
columns.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 199


Compressor

General Information

The Compressor simulates a single stage isentropic compression. Outlet


conditions and work requirements may be determined using either an adiabatic
or polytropic efficiency. Optional tabular input may be used to determine
performance from supplied curves for outlet pressure or pressure ratio, head,
work, and/or efficiency. An optional aftercooler calculation may be included. Both
VLE and VLLE calculations are supported. Multistage compressors may be
modeled by linking single stage compressor units.

Feeds and Products

A compressor operation may have multiple feed streams, in which case the inlet
pressure is assumed to be the lowest feed stream pressure.

Compressors may have one or more product streams. The product phase
condition for units with one product stream is automatically set by PRO/II. For
compressors with two or more product streams, the product phases must be
specified in the Product Phases window which is accessed by clicking Product
Phases on the Compressor main data entry window. Note that for compressors
with aftercoolers, the products correspond to outlet conditions from the
aftercooler.

Product phases allowable include: vapor, liquid, decanted water, heavy liquid,
and mixed phase (vapor plus liquid). Mixed phase is mutually exclusive with
vapor and liquid products and is not allowed when four product streams are
specified.

Pressure, Work, or Head Specification

The pressure, work, or head specification is selected from a drop-down list box in
the Compressor main data entry window. At least one specification must be
supplied for every compressor. Options include:

Outlet Pressure: The outlet pressure from the compressor.

Pressure Increase: The pressure rise across the compressor.

200 PRO/II USER GUIDE JUNE 2006


Pressure Ratio: Compression ratio (absolute outlet pressure/absolute inlet
pressure).

Work: Actual work for the compressor.

Pressure Curve: Click Enter Curve to supply a curve relating volumetric feed
rate to outlet pressure in the Compressor Outlet Pressure Performance Curve
window.

Pressure Ratio Curve: Click Enter Curve to supply a curve relating volumetric
feed rate to compression ratio in the Compressor Pressure Ratio Performance
Curve window.

Adiabatic Work Curve: Click Enter Curve to supply a curve relating


volumetric feed rate to adiabatic work in the Compressor Work Performance
Curve window.

Polytropic Work Curve: Click Enter Curve to supply a curve relating


volumetric feed rate to polytropic work in the Compressor Work Performance
Curve window.

Actual Work Curve: Click Enter Curve to supply a curve relating volumetric
feed rate to actual work (efficiency has been applied) in the Compressor Work
Performance Curve window.

Adiabatic Head Curve: Click Enter Curve to supply a curve relating volumetric
feed rate to adiabatic head in the Compressor Head Performance Curve window.

Polytropic Head Curve: Click Enter Curve to supply a curve relating


volumetric feed rate to polytropic head in the Compressor Head Performance
Curve window.

Actual Head Curve: Click Enter Curve to supply a curve relating volumetric
feed rate to actual head (efficiency has been applied) in the Compressor Head
Performance Curve window.

Efficiency or Temperature Specification

An efficiency or outlet temperature specification may be selected from a drop-


down list box in the Compressor main data entry window. Options are:

Adiabatic Efficiency: Compressor adiabatic efficiency in percent. This is


sometimes called the isentropic efficiency.

Polytropic Efficiency: Compressor polytropic efficiency in percent.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 201


Outlet Temperature: Compressor outlet temperature. The efficiency is
calculated.

Single Adiabatic Efficiency Curve: Click Enter Curve to supply a curve


relating volumetric feed rate to adiabatic efficiency in the Compressor Efficiency
Curve window.

Single Polytropic Efficiency Curve: Click Enter Curve to supply a curve


relating volumetric feed rate to polytropic efficiency in the Compressor Efficiency
Curve window.

Multiple Adiabatic Efficiency Curve: Click Enter Curve to supply multiple


curves at designated Compressor inlet or outlet pressures, which relate
volumetric feed rate to adiabatic efficiency in the Compressor Multiple Efficiency
Curves window.

Multiple Polytropic Efficiency Curve: Click Enter Curve to supply multiple


curves at designated Compressor inlet or outlet pressures, which relate
volumetric feed rate to polytropic efficiency in the Compressor Multiple Efficiency
Curves window. Selection of an efficiency or temperature specification is
optional, and if none is selected a default value of 100 percent adiabatic
efficiency is used. Note that this corresponds to a perfect isentropic compression.

RPM Adjustment of Compressor Curves

Curves for head, work, and efficiency are usually based on a specific compressor
speed. Therefore, they should be adjusted when the compressor is operated at a
different speed. PRO/II performs adjustments for these curves when values are
supplied for the Reference RPM (curve basis) and the Operating RPM.
Adjustments are based on the fan laws and are as follows:

[
Head = Head ref RPM / RPM reference ]2.0
[
Work = Work ref RPM / RPM reference ]3.0
[
Efficiency = Efficiency ref RPM / RPMreference ]

202 PRO/II USER GUIDE JUNE 2006


Aftercooler Option

An aftercooler may be added via the Aftercooler icon on the Compressor main
data entry window and supplying the cooler outlet temperature and pressure drop
in the Compressor Aftercooler window.

Outlet Temperature Estimate

An estimate for the outlet temperature for the compressor may optionally be
supplied in the Compressor main data entry window to speed convergence. Note
that this is not the same as the Outlet Temperature specification.

Calculation Method

The method used to calculate the Compressor head may be selected by clicking
Calculation Method on the Compressor main data entry window to access the
Compressor Calculational Mode window. The method may be chosen with the
radio buttons provided, with choices as follows:

GPSA Engineering Data Book: The GPSA Data Book equation is used to
compute head.

ASME Power Test Code 10: The ASME Power Test Code 10 equation is used
to compute head. This method, the default, is the most rigorous.

The compression ratio above which the head equation is used to compute the
isentropic/ polytropic coefficient may also be supplied in this window. This entry
only applies to the GPSA method, with a default value of 1.15 supplied. Below
this compression ratio, the GPSA temperature equation is used to compute the
isentropic/polytropic coefficients.

Relative Convergence Tolerance for Work Specifications

For compressors with Work specifications, a relative convergence tolerance may


optionally be supplied in the Compressor main data entry window. A default
value of 0.001 is used when no value is supplied.

Maximum Outlet Pressure

For compressors with Work specifications, a maximum outlet pressure may


optionally be supplied in the Compressor main data window. The outlet pressure
will be reset to this value when the supplied work results in a pressure exceeding
this value.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 203


Thermodynamic System

The thermodynamic system of methods to be used for compressor calculations


may be selected by choosing a method from the Thermodynamic Systems drop-
down list box on the Compressor main data entry window.

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Controller

General Information

The Controller simulates the action of a feedback process controlled by adjusting


an upstream flowsheet parameter to achieve a specified result for a process
stream or unit operation. A controller must have one SPECification and one
VARY, where the SPEC may be a stream flowrate or property, a unit operating
condition, or a Calculator result. The control variable (VARY) must be a stream or
unit operation flowsheet parameter that is otherwise at a fixed value in the
flowsheet.

Specification

The SPECification is supplied via the appropriate underlined hypertext in the


Specification field of the Feedback Controller main data entry window (accessed
by double-clicking on the Controller flowsheet icon). By clicking the hypertext
string Parameter, the Parameter window appears in which you can select the unit
parameter or stream parameter to use as the SPEC. The SPEC may be a single
parameter or a mathematical expression that relates two flowsheet parameters.
You may next enter the value and the tolerance for the SPEC by clicking the
appropriate linked text. See the SPEC/VARY/DEFINE section of this chapter for
further details on the generalized SPEC form used in PRO/II.

Variable

The control variable (VARY) is selected by clicking the linked text string
Parameter in the Variable field of the Feedback Controller window. The
Parameter window is used to designate the stream or unit parameter to use for
the VARY in a manner analogous to that used in selecting the SPEC above. The
SPEC/VARY/DEFINE section of this chapter gives more information on the
VARY concept. You will also find tables of the flowsheet variables that may be
used for SPECs and VARYs in controller units.

Limits and Step Sizes

Limits and step sizes for the control variable may be supplied by clicking Limits
and Step Sizes on the Feedback Controller window. A maximum value,
minimum value, and/or maximum change in the control variable may be entered
in the Limits and Step Sizes window. Optionally, you may supply a value for the

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 205


control variable for the second iteration by selecting the appropriate radio button
to replace the default change of 2.0 percent of the initial control variable value.
You may specify a different percent or value for the second iteration.

Parameters

Several parameters regarding the operation of the Controller may be supplied on


this section of the Feedback Controller window. You may change the maximum
number of iterations from the default value of 10. Use the radio buttons may to
select the action taken when the control variable exceeds the prescribed limits:

The value is set to the limit as a solution and flowsheet calculations


continue (the default), or
Flowsheet calculations are halted.

Print Results for Controller Iterations

The default is to print a summary for each controller iteration. To eliminate this
printout, deselect the check box on the Feedback Controller window.

Next Unit Calculated after Control Variable is Updated

Ordinarily, this is the first unit operation in the calculation sequence that is
affected by the control variable and is determined automatically (calculated) by
PRO/II. You may specify a different return unit by using the drop-down list box on
the Feedback Controller window.

Nonconvergence of Controllers

The controller uses a Newton-Rhapson technique to search for the value of the
control variable that meets the specified flowsheet parameter result. Therefore, it
is important that there be a continuous and monotonic relationship between the
control variable and the specification. Control functions with discontinuities or
localized maxima and minima may fail to converge or converge to an undesired
result.

For some cases, the limits and step sizes entries may keep the control function
within a range of feasible solutions.

Controllers and Recycle Loops

Controllers always create a recycle loop in the flowsheet, from the downstream
unit at which the specification is evaluated to the first upstream unit affected by
the control variable.

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When a controller is located within a recycle loop, PRO/II normally solves the
controller as part of the loop, i.e., the controller iterations and the recycle
iterations are solved simultaneously. Therefore, you must change the calculation
order when it is desired to converge the controller within each iteration of the
overall recycle loop. Note also that it is important that the tolerance for the
controller be tighter than the tolerance for the overall recycle loop to insure
convergence.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 207


Crystallizer

General Information

The Crystallizer unit operation simulates crystallization processes for the


manufacture of organics, inorganics, fertilizers, biochemicals and polymers. The
crystallizer transforms a supersaturated solution into a mixed solid/liquid crystal
slurry.

The crystallizer is modeled as a Mixed Suspension Mixed Product Removal


(MSMPR) crystallizer or Continuous Stirred Tank Crystallizer (CSTC). These
models assume ideal mixing in the unit and that the product conditions are the
same as the bulk conditions. The model also assumes that breakage or
agglomeration of solid particles is negligible. A feed heat exchanger may be
included in the model with recirculation if required.

The crystallization process depends on phase equilibria as well as kinetic or


nonequilibrium considerations. Solid-liquid equilibrium is defined in terms of
solubility, which is calculated from either the Van't Hoff equation or user-supplied
solubility data.

You must select Design or Rating calculations in the Crystallizer Calculation


Mode window. In design mode, a specification is required and the volume is
calculated. In the rating mode, the vessel volume is defined.

The formation rate relationships are expressed as power law expressions in the
Crystallizer Growth and Nucleation Rates window. These relationships are
similar to equations for power law kinetics used for chemical reactions. Full
details of the calculation method can be found in the PRO/II Reference Manual.

Feeds and Products

The Crystallizer can have any number of feed streams. The inlet pressure is
taken to be the lowest pressure of all the feed streams.

Both an overhead and bottoms product must be specified in the Crystallizer


Products window. The bottoms contains the crystals in the solid/liquid slurry. The
overhead contains any vapor generated in the unit.

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Unit Specification

A Crystallizer unit operation is specified by filling in the appropriate data variables


for Solute and Solvent, Crystal Shape Factor, Calculation Mode, Design
Specification (in Design Mode) and Growth and Nucleation Rates in the
appropriate data entry windows that may be accessed through the Crystallizer
main data entry window that is accessed by double-clicking the Crystallizer unit
icon.

Crystal Shape Factor

The shape factor defaults to 1.0 which indicates cubic crystals. A value of p/6
indicates spherical crystals.

Solute and Solvent

Select the solute and solvent components. The solute must be defined as a
liquid-solid component. If there are no liquid-solid components available in the
simulation, a warning message is displayed prior to opening the Crystallizer main
data entry window. To specify a component as liquid-solid, select
Input/Component Selection/ Component Phases.

Calculation Mode

Click Calculation Mode to specify the Design or Rating calculation mode.

In Design mode, a specification is required and the vessel volume is calculated.


Specification options are:

Crystal Production Rate: Enter the production rate of the crystals in weight
units.

Fraction of Solute Crystallized: Enter the fraction of the total solute in the
combined feeds that is to be crystallized.

Magma Density in the Bottom Product: Enter the density of the bottom
product as weight of crystals per unit volume of slurry.

Supersaturation Ratio: Enter the supersaturation ratio which is defined as:

(Xexit-Xsat)/Xsat
where:
Xexit is the liquid phase mole fraction of the solute in the bottom product, and

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 209


Xsat is the saturation mole fraction of the solute in the bottom product.
In Rating mode, the vessel volume is defined.

Growth and Nucleation Rates

Click Growth and Nucleation Rates to specify Growth and Nucleation Rates.

Crystal Growth Rate: You must supply the Rate Constant for the rate equation
in ft/sec or m/sec. Growth rates are typically in the range 2.0x10-7 to 2.0x10-8
m/sec. By default, the rate is directly proportional to the Supersaturation Ratio.
You may change this by overriding the default Exponential Factor. Factors are
usually in the range 0.0 to 2.5.

Crystal Nucleation Rate: The Nucleation Rate is the number of crystals


nucleated per unit time, per unit liquid volume. You must supply the Rate
Constant for nucleation and specify its dimensional units. By default, the rate is
directly proportional to the Supersaturation Ratio. You may change this by
overriding the default Exponential Factors. Typical values for the Supersaturation
Ratio Factor are in the range 0.5 to 2.5 for secondary nucleation and up to 10 for
primary nucleation. If an exponent is specified for the Impeller Speed, you may
need to change the default value of 100 RPM.

Operating Conditions

Click Operating Conditions to specify Crystallizer Operating Conditions. By


default, the crystallizer operates at the combined feed temperature and pressure
with no recirculation.

Pressure Specification: The pressure may be specified as a drop below the


combined feed pressure or you may specify the pressure value directly.

Second Specification: If an option other than At Merged Feed Temperature is


selected, the unit is assumed to include a feed heat exchanger. You may specify
either the crystallizer operating Temperature or the Duty of the exchanger.

Recirculation Flowrate: Some of the bottom product may be remixed with the
feed and passed through the feed exchanger. To specify this option, you must
either specify the recirculation Volumetric Rate or the Temperature Change
across the exchanger. A negative change denotes a temperature drop.

Alternatively, instead of entering a numeric value for the parameters in this


window, they may be referenced using the DEFINE system relative to any
available unit operation or stream parameter calculated elsewhere in the
simulation. See the table of Crystallizer Parameters available for Cross-
Referencing in the online help for more details.

210 PRO/II USER GUIDE JUNE 2006


Print Options

Click Print Options to access the Crystallizer Print Options window.

Check the Include Crystal Size Distribution box to request additional output
including tables of fractions and population densities for the feed and product
streams as functions of the crystal size distribution.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 211


Cyclone

General Information

The Cyclone unit operation models the separation of particulate solids from a
solid and gas stream. The particulate collection efficiency is determined by the
solids loading, component characteristics, particle size distribution, stream
flowrate, and cyclone geometry. The Cyclone unit operation will calculate the
collection efficiency for every particle size range of each solid component as well
as the pressure drop through the unit. The Cyclone is assumed to operate
isothermally and mechanisms such as agglomeration and crumbling are
discounted.

Feeds and Products

A Cyclone may have up to ten feed streams. Unless otherwise specified, the inlet
pressure will be taken as that of the feed stream with the lowest pressure. The
feed streams may not contain a liquid phase, and there must be two product
streams. The overhead stream will contain all the gas that comes in as well as
any uncollected solids. The bottom stream will contain only the collected solids.
All solid components that enter a cyclone must have a particle size distribution.
This distribution may be set by another unit or defined by the user.

Unit Specification

A cyclone unit operation is specified by filling in the appropriate real and integer
data variables for operating mode, geometry, pressure drop calculations,
efficiency calculations, and multiple cyclone configuration in the Gas/Solid
Cyclone main data entry window that is accessed by double-clicking the Cyclone
unit icon on the PFD.

Rating Mode

If you select Rating Mode, you must supply the diameter of the cyclone. The
other dimensions of the cyclone will be generated from the diameter. If you select
User Defined Geometry, you must also enter all of the geometric ratios as
described below. In Rating Mode, PRO/II will calculate: pressure drop, total
efficiency, component efficiencies, grade efficiencies and weight percent solids in
the overhead stream.

212 PRO/II USER GUIDE JUNE 2006


Design Mode
If you select Design Mode, you need not provide the cyclone diameter. Again, if
you select User Defined Geometry, you must enter all of the geometric ratios as
described below. In addition, you must specify a target for total solids collection
(see entry for RPARM(13) below). You may also wish to override the default
maximum pressure drop of 10 inches of water by entering a value in whatever
input pressure units you prefer (see entry for RPARM(16) below). In addition to
the normal Rating Mode output, Design Mode will calculate the number and size
of identical cyclones that are necessary to meet the specification. There may be
many cyclone systems that meet the specification. In all cases, Design Mode will
return the system requiring the fewest cyclones.

Multiple Cyclones

The Cyclone can model a system of identical cyclones that are arranged either in
parallel or in series. In the case of parallel cyclones, the feed streams are split
evenly among the cyclones. The overhead products from all cyclones merge into
one overhead and the bottoms products from all cyclones merge into one bottom
stream. In the case of series cyclones, the overhead from the first cyclone is the
feed to the second and so on. The overhead product is the overhead product
from the final cyclone while the bottom product is the combined bottom product
from all the cyclones in the system. Both product streams are at the outlet
pressure of the final cyclone in the system. It is not possible to specify recycle
streams inside the unit or to reference intermediate stage data from the
flowsheet. For example, if you wish to set a specification on the second cyclone
in a three-cyclone series or set a recycle from the second cyclone to the first
cyclone, you should model the system as three separate units. Note that while
increasing the number of identical cyclones will increase efficiency and pressure
drop in a series system, it will decrease the efficiency and pressure drop in a
parallel system.

Integer Data for Unit

Calculation Mode (IPARM(1)) This input is optional. Options are:


1. Rating (default)
2. Design

Efficiency Model (IPARM(2)) This input is optional. Options for Rating and
Design mode are:
1. Koch & Licht
2. API (default)
3. Lapple

The Lapple model is based on a ratio of particle diameter to cut diameter

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 213


(the diameter of the particles which are collected with 50% efficiency). The API
method is based on a ratio of particle diameter to critical diameter (the diameter
of particles which would be collected at 100%). The Koch & Licht method is not
based on a particle size ratio.

Pressure Model (IPARM(3)) This input is optional. Options for both Rating and
Design mode are:
1. Koch & Licht (default)
2. API

If the cyclone is inside another vessel, the API method allows values for the Inlet
Width Ratio and the Superficial Gas Velocity (described later in the section titled
Real Data for Unit) to be specified.

Cyclone Geometry (IPARM(4)) This input is optional. Options for both


Rating and Design mode are:
1. Stairmand (default)
2. High efficiency Swift
3. Lapple
4. General purpose Swift
5. Peterson & Whitby
6. User-defined geometry

If the user-defined geometry is used, values must be specified for the inlet height
ratio, inlet width ratio, cyclone dust outlet diameter ratio, cyclone gas outlet
diameter ratio, gas outlet tube length ratio, height of cylindrical section ratio, and
total cyclone height ratio as appropriate for the calculation method used as
shown.

Inlet Vane Flag (IPARM(5)) This input is optional. Options for both Rating and
Design mode are:
1. No (default)
2. Yes

Shape of Gas Inlet Flag (IPARM(6)) This input is optional. Options for both
Rating and Design mode are:
1. Tangential (default)
2. Scroll or volute
3. Axial

Cyclone is inside Vessel Flag (IPARM(7)) This input is optional. Options for
both Rating and Design mode are:
1. No (default)
2. Yes

214 PRO/II USER GUIDE JUNE 2006


For a value of 2, the Inlet Width Ratio and the Superficial Gas Velocity must be
specified. Dipleg Size is calculated if the value of 2 is entered.

Efficiency Adjustment Due to Loading Flag (IPARM(8)) This input is optional.


Options for both Rating and Design mode are:
1. Adjust (default)
2. Do not Adjust

Automatically Switch Pressure Drop Model (IPARM(9)) This input is optional.


Options for both Rating and Design mode are:
1. Do not Switch (default)
2. Switch

This entry allows changes to be made automatically in the pressure drop model
between the Koch & Licht and API methods based on solids loading.

Configuration of Multiple Cyclones Flag (IPARM(10)) This input is optional.


Options for both Rating and Design mode are:
1. Parallel (default)
2. Series

Number of Identical Cyclones (Series or Parallel) (IPARM(11)) This input is


optional and is for Rating Mode only. The default value is 1 cyclone.

Number of Particle Size to be Specified (IPARM(12)) This input is optional and


is for Rating Mode only. This and the following entry can be used together to
specify the component and PSD size range whose weight fraction in the
overhead will be output to RPARM(64). This latter value can be accessed by a
Controller, MVC or Optimizer.

For example, if a solid with PSD data: 10, 20, 30, 40 (in default input units) is
required to have a weight fraction of 0.20 in size range 20 to 30, the value for this
entry would be 2 (the second size range) and the value for a DEFINE statement
would be 0.20. The default value is 1 (the first size range).

Number of the Component to be Specified (IPARM(13)) This input is optional


and is for Rating Mode only. This optional input is the number of the component
with particle size distribution data to be used in the design. The default is the first
solid component with a PSD that the design mode may evaluate.

Maximum Number of Cyclones (IPARM(14)) This input is optional and is for


Design Mode only. The value indicates the number of cyclones in parallel or
series as appropriate based on the value specified above for the Configuration of
Multiple Cyclones Flag. The default is 20 for parallel and 3 for series.

Real Data for Unit

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 215


The cyclone geometry is input as the ratio of length divided by overall cyclone
body diameter, so that an inlet height of 0.1 meters on a cyclone of diameter 0.2
meters would have an inlet height ratio of 0.1/0.2 = 0.5.

Diameter of Cyclone Cylinder (RPARM(1)) This input is required and is for


Rating Mode only.

Inlet Height Ratio (RPARM(2)) This Rating/Design Mode entry is optional.

Inlet Width Ratio (RPARM(3)) This Rating/Design Mode entry is optional.

Cyclone Dust Outlet Diameter Ratio (RPARM(4)) This Rating/Design Mode


entry is optional.

Cyclone Gas Outlet Diameter Ratio (RPARM(5)) This Rating/Design Mode


entry is optional.
Gas Outlet Tube Length Ratio (RPARM(6)) This Rating/Design Mode entry is
optional.

Height of Cylindrical Section Ratio (RPARM(7)) This Rating/Design Mode


entry is optional.

Total Cyclone Height Ratio (RPARM(8)) This Rating/Design Mode entry is


optional.

Diameter of Vessel Housing (RPARM(9)) This Rating/Design Mode entry is


optional.

Superficial Gas Velocity (RPARM(10)) This Rating/Design Mode entry is


optional.

Pressure Drop to Inlet (RPARM(11)) This Rating/Design Mode entry is optional.


This value is the pressure drop between the feed stream and the inlet to the
cyclone. The default is 0.0.

Absolute pressure at cyclone inlet (RPARM(12)) This Rating/Design Mode


entry is optional. For use if cyclone inlet pressure differs from feed stream
pressure. The default is the lowest feed stream pressure.

Goal Efficiency for Design Mode (wt%) (RPARM(13)) This Design Mode entry
is required.

Minimum Cyclone Diameter (RPARM(14)) This Design Mode entry is optional.


The default is 0.1 m.

216 PRO/II USER GUIDE JUNE 2006


Maximum Cyclone Diameter (RPARM(15)) This Design Mode entry is optional.
The default is 0.5 m.

Maximum Pressure Drop (RPARM(16)) This Design Mode entry is optional.


This value is the maximum pressure drop across cyclones in a unit The default is
2.488 kPa.

Tolerance for Cyclone Body Diameter (RPARM(17)) This Design Mode entry
is optional. The default is 0.001.

Real Number Output from Cyclone

The output values calculated by the Cyclone model are stored in the indicated
locations in the RPARM() array and can be accessed by a Controller, MVC or
Optimizer. All RPARM() outputs are produced in both Rating and Design modes.

Overall Efficiency (wt%) (RPARM(51)) In Design mode, this is an input value


included in the output report for the cyclone unit.

Diameter Of Cyclone Cylinder (RPARM(52)) In Rating mode, this is an input


value included in the output report for the Cyclone model.

Pressure Drop (RPARM(53)) This is adjusted for loading by the user.

Total Solids In Overhead (RPARM(54)) This is the weight % of the total


overhead stream.

Inlet Height Dimension (RPARM(55))

Inlet Width Dimension (RPARM(56))

Cyclone Dust Outlet Diameter Dimension (RPARM(57))

Cyclone Gas Outlet Diameter Dimension (RPARM(58))

Gas Outlet Tube Length Dimension (RPARM(59))

Height of Cylindrical Section Dimension (RPARM(60))

Total Cyclone Height Dimension (RPARM(61))

Dipleg diameter (RPARM(62)) This requires that the cyclone be located above a
fluidized bed, i.e., the cyclone must be located inside a vessel. This value is
output in the cyclone output report only if applicable. PSD weight fraction in the
overhead RPARM(64) This value is the particle size distribution weight fraction in

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 217


the overhead of the size and component specified. See entries for IPARM(12)
and IPARM(13) above. This is the ratio of weight in the specified size range
divided by the weight of the component in the overhead. This value is output in
the cyclone output report only if applicable.

218 PRO/II USER GUIDE JUNE 2006


Depressuring Unit

General Information

The Depressuring Unit simulates the time-pressure-temperature relationships


that occur when a vessel is depressured through a relief or control valve. Several
different valve models, vessel configurations and models for heat flow into the
unit are available. An optional external makeup stream may also be specified.
The initial phase of the vessel contents may be either a vapor or a vapor-liquid
mixture.

Calculation options include procedures from API Standard 2000, API


Recommended Practice 520, and other industry standards.

Initial Relief Conditions

The initial relief conditions can be based on either a specified initial time or a
specified inital pressure by selecting the appropriate radio button. The default
selection is to start the depressuring calculations at the beginning of the
simulation (time zero.)

Note: This option is only available if the heat input model type Fire Relief Model
is selected.

Final Depressuring Conditions

To set the final depressuring conditions, values may be entered for either or both
final Vessel Pressure and Elapsed Time. The elapsed time can be measured
from Time Zero or from the Start of Relief by choosing the desired toggle text. If
both final Vessel Pressure and Elapsed Time are selected, the depressuring
calculations will stop when the first criterion is satisfied.

Time Step Size Calculation Options

User-supplied values for the relative volume tolerance per time step, the
maximum number of time steps, and the time step size can be entered on the
Calculation Options window. This window is brought up by clicking Calculation
Options on the Depressuring Unit main data entry window.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 219


The default value for the Volume Tolerance per Time Step is 0.0001. The default
value for the Maximum Number of Time Steps allowed in the depressuring
simulation is 100.

The default value for the Time Step size is calculated using default values for the
sizing parameters. User-supplied values for the parameters used in this
calculation may be entered via the appropriate hypertext string. The step size
basis is selected from a pop-up list, which includes

a. total fluid quantity in increments of the amount* (a constant)


b. vapor quantity in increments of the amount* (a constant), or
c. the smaller of (1) or (2).

The default selection for time step size basis is (1). If either (1) or (2) is selected,
a user-supplied value for the constants can be entered in the pop-up float field.
For the time step size basis of (1), the default value of the constant is 0.04. For
(2), the default value of the constant is 0.50.

Specification of Isentropic Efficiency

Either the default isentropic efficiency or a user-supplied value may be used in


the blowdown calculations by selecting the appropriate radio button on the
Depressuring Unit - Calculation Options window. For all heat flow models except
for Rigorous Blowdown or Semirigorous Blowdown, the default value is 0.0. If
Rigorous Blowdown or Semirigorous Blowdown is selected for the Heat Flow
Model, the default isentropic efficiency is 1.0.

Action when Errors are Detected

By default, the simulation will stop if pressure profile errors are detected. Clicking
on the Stop hypertext on the Calculation Options window toggles the option to
Continue and allows the simulation to continue even if pressure profile errors are
detected.

Valve Data

Data can be entered on the Depressuring Valve Data window to define the flow
characteristics of the relief valve or control valve. This window is brought up by
clicking Valve Data on the Depressuring Unit main data entry window. A Valve
Model must be selected from the four choices by choosing the appropriate radio
button. The available valve models are Supersonic Flow, Subsonic Flow,
Constant Flow, and User Model. The default is Supersonic Flow. The equation
for the selected model is displayed as an aid to entering the parameters in the

220 PRO/II USER GUIDE JUNE 2006


valve equation. The units displayed for the equation are consistent with the
default UOM for the problem and may not be changed.

A Valve Constant (C) must be entered for all models except for the User Model.
For the Supersonic Flow model, the valve constant is the only entry allowed. For
the Subsonic Flow model, an optional back pressure may be entered along with
the required the valve constant. For the Constant Flow model, the only allowable
entry is the valve constant. For the User model, the control valve coefficient must
be entered. The default back pressure value is 0.0, while the default value for the
critical flow factor is 1.0 Different values for the back pressure and critical flow
factor may be entered.

Vessel Data

The Depressuring Vessel Data window is used to define the configuration of the
depressuring unit. This window is accessible via the Vessel Data button on the
Depressuring Unit main data entry window. One of the following,
Sphere
Horizontal Cylinder
Vertical Cylinder
Unspecified Shape
must be selected by choosing the appropriate radio button.

If Sphere is the selected vessel geometry, a value for the diameter must be
entered. If Horizontal Cylinder is the selected vessel geometry, the diameter and
tangent-to-tangent length must be entered. For the Vertical Cylinder vessel
geometry, the diameter and tangent-to-tangent height must be entered. For
vessels of any of these defined geometries, entering a value for liquid height is
optional. For vessels of the Unspecified Shape geometry, the vessel volume
must be entered. Liquid Holdup is optional only if the geometry is Unspecified
Shape. By default, the holdup liquid is saturated liquid of the combined feed
composition at the initial conditions. The remaining vessel volume contains vapor
in equilibrium with this liquid. The holdup may be on a mole, weight, or actual
volume fraction basis with the default being the mole fraction basis.

The Vessel Weight and the Vessel Specific Heat may be input for any vessel
geometry. If one of these two variables is entered, then both must be entered.
These items are required only if Blowdown appears on the Heat Input window,
otherwise they are optional. (See discussion on vessel Heat Input options below.)
The volume correction factor is an optional entry for the Sphere, Horizontal
Cylinder, and Vertical Cylinder vessel geometries only. This entry is used to
correct the vessel volume for pipes, fittings, and end plates and defaults to 1.00 if
not supplied.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 221


Heat Input

Click Heat Input on the Depressuring Unit main data entry window to open the
Heat Input window. A heat input model may be selected from the drop-down list
box, which includes the following options:

User-defined
API 2000
API 2000 Method with Scaling
API RP 520 with Scaling
API RP 520
Isothermal
Rigorous Blowdown
Semirigorous Blowdown
Fire Relief.

User-Defined is the default as this supplies no heat input to the vessel. The
difference between the Rigorous and Semirigorous Blowdown models is the
physical property calculations. The selected heat transfer equation is displayed,
along with the equations units of measure. Depending on the Heat Flow Model
selected, from one to five of the coefficients may be supplied. For the User-
Defined or Semirigorous or Rigorous Blowdown models, values for these
coefficients default to 0.0.

For the Fire Relief Model only, the first two coefficients C1 and C2 are required.

The Initial Wetted Area field is made unavailable when a value has been entered
for Liquid Height on the Vessel Data window. Otherwise, a value for Initial Wetted
Area must be entered for the API 2000, Scaled API 2000, RP 520, Scaled RP
520, and Fire Relief Models. The Area Scaling Factor is an optional entry for
these same heat input models only when the Initial Wetted Area is input. It has a
default value of 1.0.

The Heat Input Scaling Factor may be input for any heating model except the
Semirigorous and Rigorous Blowdown and Isothermal models. It has a default
value of 1.0.

For the heat transfer coefficient used in the Semirigorous or Rigorous Blowdown
calculations, either a Calculated Using Scaling Factor coefficent, an Overall
coefficient, or individual phase vapor or liquid heat transfer coefficient may be
used by selecting the appropriate radio button. The default is to use the
Calculated Using Scaling Factor coefficent, with a default value for the scaling
factor of 1.0.

222 PRO/II USER GUIDE JUNE 2006


Makeup Stream

One feed stream to the depressuring unit can be designated as a constant-rate


makeup stream. Click Makeup on the Depressuring Unit main data entry
window to open the Makeup Stream window, where a makeup stream can be
designated. Checking the box enables a drop-down list box which contains the
names of all feed streams to the depressuring unit shown on the PFD. One
stream may be selected as a makeup stream. The flow of this stream will always
begin at time = 0, regardless of when the depressuring begins. By default, no
makeup stream is included.

Print Results for Depressuring Unit

The Print Options window allows the user to control the intermediate and final
printed results for the Depressuring Unit. This window can be accessed through
the Output/Report Format/Unit Operations menu option or from the Depressuring
Unit main data entry window..

The default for all stream printout is a molar basis; clicking on the toggle text
allows the user to select weight basis.

By default, component compositions are printed at all steps. The user may opt to
print all steps, or initial, final and relief conditions only by clicking on the
hypertext. The user may suppress all composition printout by deselecting the
box.

Intermediate printout is printed at each calculation step time by default. The user
may select a different interval by clicking on the default time step linked text,
which will bring up the Intermediate Print Interval Options window. On the
Intermediate Print Interval Options window, either the Default Time Step,a User-
defined Time Step,or aUser-defined Pressure Interval can be specified for the
printing frequency of the intermediate results by selecting the appropriate radio
button.

Thermodynamic System

For problems where more than one thermodynamic method has been specified,
a drop-down list box allows the selection of a thermodynamic method set to be
used for the Depressuring Unit.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 223


Dissolver

General Information

The Dissolver unit operation models the dissolution of solids into liquid solutions.
This mass transfer operation is widely used in the chemical industry in both
organic as well as inorganic processes.

Feeds and Products

The dissolver unit can have any number of feed streams. The inlet pressure is
taken to be the lowest pressure of all the feed streams.

Both an overhead and bottoms product must be specified. The default allocation
may be modified in the Dissolver Products window. The bottoms contains the
liquid product along with any remaining crystals. The overhead contains any
vapor generated in the unit.

Calculation Method

The dissolver transforms crystals in solution from the solid to the liquid phase.
PRO/II models the most common type of dissolver which is the stirred tank
dissolver. A feed heat exchanger may be included in the model if required.

A Solid-liquid equilibrium method must be defined in terms of solubility, which is


calculated from either the Van't Hoff equation or user-supplied solubility data.
You must select Design or Rating calculations in the Dissolver Calculation Mode
window. In Design mode, a specification is required and the volume is calculated
for a given feed particle size distribution and operating conditions. In Rating
mode, the vessel volume is defined and the exit particle size distribution is
determined.

The mass transfer coefficient may be specified in the Dissolver Dissolution Rate
window. Alternatively, you may specify that the coefficient should be calculated
from diffusivity data entered in the Thermodynamic Data.

Full details of the calculation method can be found in the PRO/II Reference
Manual.

224 PRO/II USER GUIDE JUNE 2006


Excel Unit

General Information

The Excel unit operation can be used to include Microsoft Excel spreadsheet files
as general unit operations in the flowsheet. During calculation, PRO/II transfers
feed stream information to the spreadsheet, invokes a user-defined macro, then
reads the resulting product stream information back into PRO/II.

Detailed Information

Before using an Excel unit operation, a user must first create and configure the
Excel spreadsheet file which will be used for calculations.

An Excel file usually contains several worksheets of information. One of these


worksheets will be used to exchange data between PRO/II and Excel. This data
transfer worksheet has a specific format which is described below in the section
Data Transfer Sheet. All other sheets in the workbook are ignored by PRO/II and
can be used for any other purpose.

When PRO/II is installed, an "empty" Excel file (ExcelTemplate.xls) is installed


which can be used as a starting point for developing custom spreadsheets.

Note: ExcelTemplate.xls does not perform any calculations.

A developer can copy and customize the spreadsheet by adding the required
macros and/or spreadsheet formulas to calculate the output stream conditions
based on the input feed streams and the unit operation data.

After the spreadsheet has been customized, a user can add it to a PRO/II
flowsheet using the Excel unit operation:

After starting PRO/II, select File/New from the menu. The PFD Icon
palette is displayed.
Scroll to the bottom of the PFD palette, click the Excel button, and click
an empty area of the flowsheet to add a new Excel unit operation.
Connect the required feed and product streams.
Double-click on the Excel icon to display the tabbed dialog box (see next
section Excel Configuration Dialog Box). This tabbed dialog box is used
to specify the name of the Excel file, the name of the worksheet used as

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 225


the data transfer area, and the name of the macro to invoke at
calculation time.
After configuring the Excel unit operation, click OK to exit the tabbed
dialog.
When the flowsheet is solved, PRO/II transfers feed stream information
to the spreadsheet, invokes the user-defined macro, and then reads the
resulting product stream information back into PRO/II.
When the default text report is generated, PRO/II will write the values of
the unit operation data arrays to the text report.

Limitations

The Excel unit operation has the following limitations:

The Excel macro cannot make any direct function calls back into PRO/II.
All communication with PRO/II is done through the data transfer sheet.
Use of the PRO/II COM Server functions to access data in the current
flowsheet is not supported.
The Excel spreadsheet is not included in the .prz file in the current
version.

Excel Configuration Dialog Box

When the user double-clicks on the Excel unit icon, the following tabbed dialog
box is displayed

Figure9-1: Excel Unit Tabbed Dialog

226 PRO/II USER GUIDE JUNE 2006


The Data Entry Window for the Excel unit operation is used to specify the
configuration and general unit operation information. The window is grouped into
five tabs.

Spreadsheet Information: contains Excel configuration information.

Display Excel during calculations: If checked, Excel will be displayed


when invoked by PRO/II. If unchecked, Excel will be executed in
'hidden' mode.

Save Excel file after calculations: If checked, the state of the Excel
spreadsheet will be saved after PRO/II calculations.

Spreadsheet name: Enter the name of the spreadsheet file. If no


path is specified, then the Excel file must reside in the same
directory as the PRO/II simulation file.

Worksheet name: Specify the name of the worksheet in the Excel file
which will be used as the transfer area. The default value is
"Sheet1".

Macro name: Specify the name of the macro to be invoked by PRO/II


during calculations. The default value is "Macro1".

Integer data: This tab contains an integer data array similar to the "Integer
Data" grid in the generic "User-added Unit Operation". This data will be
transferred to Excel during calculations; therefore, the values can be used to
supply additional data to the Excel spreadsheet. A user can specify
descriptions and values for this data.

Parameter data: This tab contains a double-precision data array similar to


the "Real Data" grid in the generic "User-added Unit Operation". This data is
accessible via PRO/II's SPEC/VARY/DEFINE mechanism, which allows
Excel spreadsheets to interact with controllers, MVC units, Optimizers, and
the Case Study feature. This data will be transferred to Excel during
calculations; therefore, the values can be used to supply additional data to
the Excel spreadsheet. A user can specify descriptions and values for this
data.

Double data: This tab contains a double-precision data array similar to the
"Supplemental Data" grid in the generic "User-added Unit Operation". This
data will be transferred to Excel during calculations; therefore, the values can
be used to supply additional data to the Excel spreadsheet. A user can
specify descriptions and values for this data.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 227


Thermodynamics: This tab contains a drop-down list box that can be used
to select the Thermodynamic set for the unit operation.

Notes: This tab contains two text boxes that can be used to specify the unit
description and the unit notes.

Data Transfer Sheet

The worksheet used to transfer data between PRO/II and Excel has a specific
format as described in the following table. The Column and Cell identifiers
assume that the spreadsheet has been configured to support five feed streams
and five product streams. If the spreadsheet is modified to increase or decrease
this number, then the actual cell for the rows highlighted with an asterisk (*) will
change accordingly. For example, if the spreadsheet is modified to increase the
number of feed streams to 6, then the column corresponding to the first product
stream will change from column H to column I.

Column * Contents
or Cell
D2 At calculation time, PRO/II fills this cell with the number of
components in the simulation.
F2 Maximum number of feed streams supported by the
spreadsheet. At calculation time, PRO/II reads this value to
insure that the number of actual feed streams is less than or
equal to the number of columns reserved in the spreadsheet.
PRO/II does not change this value. This value must match the
number of 'blue' columns used to store feed stream
information. If a user customizes the spreadsheet to add one
or more blue columns, then this number must be increased to
match.
H2 Maximum number of product streams supported by the
spreadsheet. At calculation time, PRO/II reads this value to
insure that the number of actual product streams is less than
or equal to the number of columns reserved in the
spreadsheet. PRO/II does not change this value. This value
must match the number of 'yellow' columns used to store
product stream information. If a user customizes the
spreadsheet to add one or more yellow columns, then this
number must be increased to match.
J2 Number of rows (starting with row 5) reserved for bulk stream
properties. At calculation time, PRO/II reads this number to
determine in which row to begin writing stream compositions.
PRO/II does not modify this value.
W4 * Number of additional parameters to be included in the text
report. At report time, PRO/II reads this value to determine
how many additional data items in columns V and W will be

228 PRO/II USER GUIDE JUNE 2006


Column * Contents
or Cell
written to the output report.
C5:G24 * At calculation time, PRO/II fills this range of cells with feed
stream information. The number of columns is defined by cell
F2; the maximum number of rows is defined by J2.
C25:Gnn * At calculation time, PRO/II fills this range of cells with
component rate information of the feed streams. The number
of columns is defined by cell F2; the number of rows is defined
by D2. The values are expressed in PRO/II internal units-of-
measure.
H5:L24 * At calculation time, the spreadsheet must fill in this range of
cells with product stream information. The number of columns
is defined by cell H2; the maximum number of rows is defined
by J2.
H25:Lnn * At calculation time, the spreadsheet must fill this range of cells
with component rate information of the product streams. The
number of columns is defined by cell H2; the number of rows is
defined by D2. The values should be expressed in PRO/II
internal units-of-measure.
M, O * At calculation time, PRO/II will write values to columns M and
O. Column M will contain the names of the unit operation
Integer (INT) attributes as defined in the Unit Operation Data
Definition (.ini) file; column O will contain the current values.
After the spreadsheet macro is complete, the updated values
in column O will be returned back to PRO/II.
P, R * At calculation time, PRO/II will write values to these columns.
Column P will contain the names of the unit operation
Parameter (PAR) attributes as defined in the Unit Operation
Data Definition (.ini) file; column R will contain the current
values. After the spreadsheet macro is complete, the updated
values in column R will be returned back to PRO/II. The values
are expressed in the units-of-measure specified in the [UOM]
section of the Data Definition file.
S, U * At calculation time, PRO/II will write values to these columns.
Column S will contain the names of the unit operation double-
precision (DBL) attributes as defined in the Unit Operation
Data Definition (.ini) file; column U will contain the current
values. After the spreadsheet macro is complete, the updated
values in column U will be returned back to PRO/II. The values
are expressed in the units-of-measure specified in the [UOM]
section of the Data Definition file.
V * Contains the description of the attributes that will be included
in the PRO/II default text report. PRO/II does not change these
values. The number of descriptions and values included in the
PRO/II report is specified by the number in cell W4.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 229


Column * Contents
or Cell
W * Contains the values calculated by the spreadsheet macros
and/or formulas. PRO/II does not change these values. When
generating the default text report, PRO/II will include the
descriptions from column V and values from column W in the
text report. The number of descriptions and values included in
the report is specified by the number in cell W4.
X, Y * Column X contains the list of unit-of-measure classes. Column
Y contains the conversion factor between input and internal
units of measure. Normally this value is not required because
PRO/II writes all values to the spreadsheet in the same units-
of-measure regardless of the units-of-measure selected in the
input file. For details on the unit-of-measure classes, refer to
the PRO/II 8.0 User-Added Subroutines Users' Guide

Additional Customization

The Excel unit operation in PRO/II provides generic data attributes and GUI
capability. It is possible to perform additional customization using the capabilities
of the Modular User-Added Unit Operations. Specifically, the following items can
be customized:

Custom Data attributes names and full support for units-of-measure.


Custom tabbed dialog box.
Custom icon on the PFD palette.

To perform these modifications, refer to the PRO/II 8.0 User-Added Subroutines


Users' Guide.

230 PRO/II USER GUIDE JUNE 2006


Expander

General Information

The Expander operation may be used to model any isentropic expansion such as
an expander unit in a natural gas processing plant or a steam turbine, etc. An
adiabatic expansion efficiency may be applied to the calculations. Rigorous
calculations may be performed for both VLE and VLLE systems.

Feeds and Products

An expander operation may have multiple feed streams, in which case the inlet
pressure is assumed to be the lowest feed stream pressure.

An expander may have one or more product streams. The product phase
condition for operations with one product stream is automatically set by PRO/II.
For expanders with two or more product streams, the product phases must be
specified in the Expander Product Phases window which is accessed by clicking
Product Phases on the Expander main data entry window.

Allowable product phases include: vapor, liquid, decanted water, heavy liquid,
and mixed phase (vapor plus liquid). Mixed phase is mutually exclusive with
vapor and liquid products and is not allowed when four product streams are
specified.

Pressure and Work Specifications

The outlet conditions for an expander may be selected with the radio buttons
provided on the Expander main data entry window. A pressure or work
specification is required for every expander. Options are as follows:

Outlet pressure
Pressure ratio (absolute outlet pressure/absolute inlet pressure)
Pressure drop
Work

A relative tolerance in percent may also be defined for convergence of work


specifications. If none is given, a default value of 0.001 percent is used.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 231


Adiabatic Efficiency

The isentropic work is adjusted by application of the adiabatic efficiency supplied


in the Expander window. When not supplied, a default value of 100 percent is
used (perfect isentropic expansion).

Minimum Outlet Pressure

For expanders with work specifications, a minimum outlet pressure may


optionally be defined in the Expander main data entry window. The work will be
reset as needed so this minimum pressure is not violated.

Outlet Temperature Estimate

An estimate for the outlet temperature may be optionally supplied in the


Expander main data entry window to speed the calculations.

Thermodynamic System

The thermodynamic system of methods to be used for expander calculations


may be selected by choosing a method from the Thermodynamic System drop-
down list box on the Expander main data entry window.

232 PRO/II USER GUIDE JUNE 2006


Flash

General Information

The Flash unit may be used to model any equilibrium calculation where two of
the conditions are defined, e.g., temperature and pressure, pressure and
enthalpy, etc. The phase equilibrium is determined and the product may be
separated into product streams corresponding to the phases. The duty required,
if any, to bring the feed to the final conditions is also reported. Both VLE and
VLLE calculations are supported by this unit.

Feeds and Products

A flash operation may have multiple feed streams, in which case the inlet
pressure is assumed to be the lowest feed stream pressure.

A flash may have one or more product streams. The product phase condition for
flash operations with one product stream is automatically set by PRO/II. For flash
units with two or more product streams, the product phases must be specified in
the Flash Product Phases window which is accessed by clicking Product
Phases on the Flash main data entry window.

Product phases allowable include: vapor, liquid, decanted water/second liquid,


and mixed phase (vapor plus liquid). Mixed phase is mutually exclusive with
vapor and liquid products and is not allowed when four product streams are
specified. Note that for Dew Point and Bubble Point calculations, only two
product phases are allowed, vapor and liquid. The optional liquid product from a
Dew Point calculation corresponds to a pseudostream with the equilibrium liquid
composition and the optional vapor product from a Bubble Point calculation
corresponds to the equilibrium vapor composition.

First Specification

The temperature, pressure, or pressure drop from feed conditions is supplied by


choosing the appropriate drop-down list box on the Flash main data entry window
and supplying the value in the data entry field provided. Only one entry is
allowed.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 233


Second Specification

This specification is used in conjunction with the First Specification given above
to define the equilibrium calculation desired. The Second Specification may be
either a Unit Specification or a Product Specification as denoted by the radio
buttons on the Flash main data entry window. These two types of specification
are discussed separately below.

Unit Specification

The desired second specification is chosen with the drop-down list box and the
data entry supplied in the field provided. Options are:

Pressure Drop or Pressure: These entries are only applicable when the
temperature is chosen as the primary specification and correspond to an
isothermal (constant temperature and pressure) flash. The Duty required to bring
the feed to the specified conditions is calculated by PRO/II.

Duty: This entry corresponds to an adiabatic (duty defined) flash. When the
temperature is supplied as the primary specification, the pressure is computed.
When the pressure or pressure drop is supplied as the primary specification, the
temperature is computed. The duty may be positive (heating), negative (cooling),
or zero (constant enthalpy calculation).

Dew Point: The dew point pressure is computed when the temperature is
supplied as the primary specification. The dew point temperature is determined
when the pressure or pressure drop is provided as the primary specification. The
Duty required to bring the feed to the specified conditions is calculated by PRO/II.

Hydrocarbon Dew Point: The dew point pressure for the hydrocarbon
portion of the stream is computed when the temperature is supplied as the
primary specification. The dew point temperature is determined when the
pressure or pressure drop is provided as the primary specification. This option is
only applicable for thermodynamic systems which support a free water phase.
The Duty required to bring the feed to the specified conditions is calculated by
PRO/II.

Water Dew Point: The dew point pressure for the water portion of the stream is
computed when the temperature is supplied as the primary specification. The
dew point temperature is determined when the pressure or pressure drop is
provided as the primary specification. This option is only applicable for
thermodynamic systems which support a free water phase. The Duty required to
bring the feed to the specified conditions is calculated by PRO/II.

Bubble Point: The bubble point pressure is computed when the temperature is
supplied as the primary specification. The bubble point temperature is

234 PRO/II USER GUIDE JUNE 2006


determined when the pressure or pressure drop is provided as the primary
specification. The Duty required to bring the feed to the specified conditions is
calculated by PRO/II.

Isentropic: A constant entropy flash is calculated from feed conditions to final


conditions. The product pressure is computed when temperature is given as the
primary specification. The product temperature is given when the pressure or
pressure drop is given as the primary specification. The Duty required to bring
the feed to the specified conditions is calculated by PRO/II.

Upper Dew Point: The Upper dew point pressure is available only when the
temperature is chosen as the primary specification. This option is applicable for
Vapor Liquid Equilibrium phases where a retrograde condensation region occurs.
This option computes the upper dew point pressure if a temperature above the
critical temperature and below the cricondentherm is supplied. The Duty required
to bring the feed to the specified conditions is calculated by PRO/II.

Product Specification

When this radio button is selected, the pressure is computed when the
temperature is provided as the first specification such that a calculated stream
parameter meets a specified value. When the pressure or pressure drop is
supplied as the first specification, the temperature is computed. The Duty
required to bring the feed to the final conditions is also calculated by PRO/II.

The stream parameter specification is entered by clicking on the hypertext strings


and uses the general PRO/II specification format. This format is further described
in the SPEC/VARY/DEFINE section of this chapter. The stream parameter
specification must correspond to one of the flash unit products and may be either
an absolute or relative value. An absolute or relative tolerance value may also be
supplied. Note that a default relative tolerance of 0.02 is used if none is given.

Entrainment

Entrainment from one phase to another phase is requested in the Flash Drum
Entrainment window which is accessed by clicking Entrainment on the Flash
main data entry window. The From and To phases are defined and the quantity
entrained is supplied as a fraction or percent of the donor phase or as an
absolute rate of material. The entrained material is assumed to have the same
composition as the donor phase. Since entrainment calculations are performed
after the flash calculations, the resultant products may be different from the
original flash specifications. Multiple entrainments are permitted.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 235


Temperature or Pressure Estimates

Estimated temperatures or pressures may be supplied in the data entry boxes at


the bottom of the Flash main data entry window. These estimates are optional,
with a temperature estimate relevant when the first specification is the pressure
or pressure drop, and a pressure estimate relevant when the first specification is
the temperature. They do not apply to isothermal flash calculations.

Pseudostream Flowrate

For Dew and Bubble Point calculations, an optional liquid and vapor product may
be defined which corresponds to the equilibrium liquid or equilibrium vapor,
respectively. The rate for this pseudostream may be supplied in the data entry
field provided on the Flash main data entry window.

Thermodynamic System

The thermodynamic system of methods to be used for flash calculations may be


selected by choosing a method from the Thermodynamic System drop-down list
box on the Flash main data entry window.

236 PRO/II USER GUIDE JUNE 2006


Flash With Solids

General Information

The Flash with Solids unit models a flash drum unit operation with a solid product
stream. If a solids product stream is to be present, you must use the Flash with
Solids unit rather than the conventional Flash unit operation.

Feeds and Products

A Flash with Solids unit may have multiple feed streams, in which case the inlet
pressure is assumed to be that of the feed stream with the lowest pressure.

A Flash with Solids unit typically has four product streams:

A vapor phase overhead stream from the flash drum section.


A liquid phase stream from the flash drum section.
A decanted water/second liquid from the solids separator section.
A solid phase bottom stream from the separator section. The default is
complete separation of the solid from the fluid stream and, hence, there
is no required input data for this unit.

The bottoms stream from the flash drum section feeding the solids separator is
internal to the Flash with Solids unit and is not subject to specification by the
user.

The main data entry window for the Flash with Solids unit is identical to that of
the ordinary Flash unit except that no specification of product phases by the user
is required. The phases for the product streams are automatically specified by
PRO/II and may be reviewed in the Flash Product Phases window accessible via
the Product Phases button on the Flash main data entry window.

For further instructions on unit and product specifications, see the


detailed discussions in the Flash section above (page 226, seq.).

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 237


Flowsheet Optimizer

General Information

The Flowsheet Optimizer maximizes or minimizes an objective function by


varying one or more flowsheet variables while meeting a number of
specifications. Optionally, you can place constraints on minimum and maximum
values on the flowsheet variables. The objective function may be an operational
criterion, such as maximum recovery or minimum loss, or an economic criterion,
such as maximum profit or minimum cost. In order to optimize an economic
function, you must first include a Calculator in the flowsheet in order to define the
profit or cost. Then use the Optimizer to minimize or maximize the Calculator
result.

Objective Function

Either you must choose either Maximize or Minimize as the objective function by
selecting the appropriate radio button in the main Optimizer window. Enter the
objective function by clicking the linked text string Parameter in the Objective
Function field to make the Parameter window available selecting the unit or
stream parameter to use as the Objective Function. This Parameter window is
similar to the SPEC Parameter window, except that there is no entry allowed for
the parameter value and tolerance. The Objective Function may be a single
flowsheet parameter or a mathematical expression that relates two flowsheet
parameters.

Variables

The optimizer variables (VARYs) are selected by clicking the linked text string
Parameter in the Variables grid of the Optimizer main data entry window. In the
Parameter window, designate the stream or unit parameter that will be varied,
selecting from the same choices given above for the Objective Function. For unit
or stream variables, you must also input minimum and maximum values. The
SPEC/VARY/DEFINE section of this chapter gives more information on the
VARY concept. The tables in that section list the flowsheet variables that may be
used for SPECs and VARYs for flowsheet optimizer units.

238 PRO/II USER GUIDE JUNE 2006


Variable Step Sizes and Limits

You may enter limits on the step size for each control variable. Click the linked
text string default step sizes in the main Optimizer window to open the Variable
Step Sizes window. You may enter a relative minimum step size and/or absolute
maximum step size per iteration in this window. You may also enter a nondefault
step size used to calculate the derivative in this window. The default relative step
size depends on the Optimizer scaling option selected (see the section following
titled Scaling of Optimization Variables). Alternatively, a user-supplied step size
can be used in the calculations. The alternative step size may be sized on either
a relative or absolute basis by selecting the appropriate radio button.

Specifications

SPECifications may be entered for flowsheet parameters other than the control
variables. Click Specifications on the Optimizer main data entry window to
bring up the standard Specifications window. Check the Use Specifications box
to enable the grid which contains the standard specification linked text. Enter the
parameters for each SPECification by clicking the appropriate text strings in each
specification. Click the linked text string Parameter, to open the Parameter
window where you can select the unit or stream parameter to use as the SPEC.
The SPEC may be a single flowsheet parameter or a mathematical expression
that relates two flowsheet parameters. Next, enter the value and the default
tolerance for the SPEC by clicking on the appropriate text strings. See the
SPEC/VARY/DEFINE section of this chapter for details on the generalized SPEC
form.

Constraints

CONStraints may also be entered for flowsheet parameters other than the control
variables. Constraints limit a variable to a specified range. Click Constraints on
the main Optimizer window to open the Constraints window from the
SPEC/VARY system. Check the Use Constraints box to enable the constraint
grid. Enter the parameters for each CONStraint by clicking the appropriate text
strings. Click the hypertext string Parameter to open the Parameter window
where you can select the unit or stream parameter to use as the CONStraint. The
use of this window is analogous to the Parameter window used in selecting the
SPEC above. The Minimum Value, Maximum Value, and the default tolerance
values for the CONStraint are entered by clicking on the appropriate text strings.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 239


Number of Calculation Cycles

Several options regarding the operation of the Optimizer may be specified by


clicking Options on the Optimizer main data entry window.

The default for the number of calculation cycles is set by PRO/II as 18 plus the
current number of variables. Alternatively, you may specify the number of cycles
by selecting the appropriate radio button on the Options window.

Scaling of Optimization Variables

By default, Optimizer scales the optimization variables in the convergence


algorithm. This scaling can be suppressed by deselecting the Use Scaling box on
the Options window.

If scaling is deselected, the default value for the derivative step size that appears
on the Variable Step Sizes window is increased from 2 percent to 5 percent.

Overall Error in any Variable

The default value for the overall error in any variable is 10-7. You may enter a
different value for the overall error in the corresponding data entry field in the
Options window.

Minimum Relative Change in Objective Function

The default value for the Minimum Relative Change in the Objective Function
from one calculational cycle to the next is 0.005. You may enter a different value
for the minimum relative change in the box on the Options window.

Selecting the Next Unit Calculated After Control Variable is Updated

Normally, the first unit operation in the calculation sequence that is affected by
the control variable is the next unit calculated after the control variable is
updated. Normally, this is determined automatically by the program. However,
you must must specify the next unit calculated whenever any of the optimization
variables or constraint variables are thermodynamic parameters. Specify the
return unit by selecting the desired unit from the drop-down list box on the
Options window.

Type of Thermodynamic Method

The PRO/II Optimizer currently supports the use of both Rigorous and Local
Thermodynamic Models during the perturbation steps. Specify the

240 PRO/II USER GUIDE JUNE 2006


thermodynamic model by selecting one of the following options in the Type of
Thermodynamic Model drop-down list box:

Rigorous
This option specifies that PRO/II will use rigorous thermodynamic
calculation models. This is the default selection.

Local TP Model
This option specifies that PRO/II will generate local K-value models for T and P
derivatives.

Local TPx Model


This option specifies that PRO/II will generate local K-value models for T, P, and
Liquid composition derivatives.

Local TPxy Model


This option specifies that PRO/II will generate local K-value models for T, P, and
Liquid and Vapor composition derivatives.

Advanced Options

Click Advanced Options.. to specify additional options for the Optimizer.

The Optimizer Advanced Options are intended for experienced users of PRO/II. If
you are unsure how these features may apply to your simulation, consult SIMSCI
Technical Support or refer to the PRO/II Reference Manual.

Special Line Search Logic

This option enables a line search mode method for the optimization calculations.
By default, this feature is Off. The option Specified Number of Trials in the drop-
down list box enables this feature.

When this feature is enabled, you may specify the maximum number of line
search trials for any one optimizer cycle. The number must be a positive integer
no greater than 20.

Number of Independent Variables to Eliminate

You may specify the number of independent variables to be eliminated during the
solution of the optimizer calculations.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 241


Start Broyden Updating at Cycle

You may specify the optimization cycle at which Broyden Updating will begin. By
default, this option is Off. Specify a positive integer greater than 1 to enable this
feature.

Derivative Analysis

By default, this option is Off. Select On in the drop-down list to produce an


analysis printout of the derivative step sizes for each optimizer cycle; in addition,
a modified perturbation step size will be suggested, if appropriate.

Limit Optimization Step Sizes

By default, this option is Enabled (Yes ). When enabled, this option limits the step
sizes taken by the optimizer to 30, 60, and 90 percent of the upper or lower
bounds during optimization cycles 1, 2, and 3, respectively. This is intended as a
safety feature to prevent the Optimizer from moving too far, particularly when the
derivatives are inaccurate. Selecting No in the drop-down list box disables this
feature.

Separate Shadow Price Output File

Once the flowsheet optimization has converged and the appropriate operating
conditions have been determined, the shadow prices or Lagrange multipliers can
be used to assess the sensitivity of the objective function to the specifications,
constraints and bounds.

For maximization problems, a positive shadow price indicates that the constraint
is being pushed against its upper bounds, a negative shadow price indicates that
the lower bound is still active, and a zero shadow price indicates that the
constraint does not affect the solution By default, printout of these values is
disabled (the None option in the Separate Shadow Price Output File drop-down
list box).

The Brief option produces a separate output report with the same file name as
the input file (with an .shd extension). This report contains the IDs of the
variables, specifications, and constraints, along with their corresponding shadow
prices as part of the standard output report.

The All option produces a separate output report with the same file name as the
input file (with an .shd extension) containing a detailed summary of the final
Optimizer solution. This summary includes the values of the objective function, all
variables, specifications, and constraints, along with the shadow prices for all
active bounds and constraints.

242 PRO/II USER GUIDE JUNE 2006


Complete technical details may be found under the topic Flowsheet Solution
Algorithms in the PRO/II Reference Manual.

Print Results for Flowsheet Optimizer

The default is to suppress printing of a convergence report. Click Print Options


on the main Optimizer window to open the Print Options window. Select the
desired printout level from a drop-down list that includes the print levels History,
Brief, and All.

By default, no intermediate printout is produced. Print-out levels for intermediate


printout of derivative and/or variable values can be selected from a drop-down list
which includes the print levels None, Print after each cycle, or Print after the final
cycle. The program limits the options for the variable printout selection such that
the level of printout is greater than or equal to the derivative printout option.

Select the Include Convergence Plots check box to generate a plot of the
convergence diagnostics.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 243


Heat Exchanger, LNG

General Information

The LNG Heat Exchanger simulates the exchange of heat between any number
of hot and cold streams. The exchanger is divided into cells representing the
individual cross-flow elements. Cells are designated as Hot, where the streams
are cooled or as Cold where they are heated. The unit must contain at least one
hot cell and one cold cell.

The number of cells is initially defined on the LNG Heat Exchanger Configuration
window that appears when the unit is first placed on the PFD. Cells may be
added or deleted in the main LNG Heat Exchanger window.

Feeds and Products

Each cell may have one or more feed streams. If multiple feed streams are
defined, the mixed feed is flashed at the lowest feed stream pressure.

A multiphase product from a cell may be separated into streams containing one
or more phase. The allowable product stream phases are vapor, liquid, decanted
water and mixed (vapor+liquid). A mixed phase product is not allowed with a
vapor or a liquid product. The decanted water product is also used as the second
liquid product phase with rigorous VLLE calculations.

If a cell has more than one product stream, the phases must be allocated to the
streams in the Product Phases window. This window is accessed via the Cell
Data button in the main LNG Heat Exchanger window, then via the Product
Phases button in the now open LNG Heat Exchanger Cell Data window.

Performance Specifications

Any cell may have either a duty or an outlet temperature specification. However,
at least one cell must remain unspecified. The product streams from all
unspecified cells leave the exchanger at the same temperature.

244 PRO/II USER GUIDE JUNE 2006


Cell Data
The pressure drop for each cell defaults to zero. Pressure drop values are
entered in the LNG Heat Exchanger Cell Data window. The thermodynamic
system used for the calculations for an individual cell may also be changed in this
window.

Zones Analysis

Zones Analysis may be requested in the LNG Heat Exchanger Zones Analysis
window accessible via the Zones Analysis button on the main data entry
window. This feature allows internal temperature crossovers and pinch points to
be identified by dividing the exchanger into a number of zones. Warnings are
issued if crossovers or pinch points are found.

The Zones Analysis calculations are normally performed when the exchanger is
calculated. However, if the exchanger is in a recycle, computation time may be
saved by performing the analysis at output time.

Zone Analysis will always be performed at calculation time if required by


Controller specifications on the LNG heat exchanger.

Print Options

The Print Options window is opened via the Print Options button on the main
data entry window. A number of different Y versus X plots may be generated for
temperature, duty and UA. The options are:

Temperature vs. Duty (default)


UA vs. Duty (default)
T vs. Temperature (default)
T vs. Duty
UA vs. T
Duty vs. Temperature.

Thermodynamic System

The thermodynamic system of methods to be used for LNGHX calculations may


be selected by choosing a method from the Thermodynamic System drop-down
list box on the LNG Heat Exchanger main data entry window.

Note: The thermodynamic system used for the calculations for an individual cell
(specified in the LNG Heat Exchanger Cell data window) overrides this
thermodynamic system for specific cells.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 245


Heat Exchanger, Rigorous

General Information

The Rigorous Heat Exchanger simulates the operation of an existing heat


exchanger. The geometry of the unit has to be defined and the unit is rated to
determine the duty, exit temperatures, and pressure drops.

The exchanger duty, or one of the exit temperatures, may be defined. In this
case, the fouling resistance is calculated.

Feeds and Products

Each side of the exchanger may have one or more feed streams. If multiple feed
streams are defined, the mixed feed is flashed at the lowest feed stream
pressure.

A multiphase product from the exchanger may be separated into streams


containing one or more phase. The allowable product stream phases are vapor,
liquid, decanted water and mixed (vapor+liquid). A mixed phase product is not
allowed with a vapor or a liquid product. The decanted water product is also used
as the second liquid product phase with rigorous VLLE calculations.

If either side has more than one product stream, the phases must be allocated to
the streams in the Product Phases window accessed via the Product Phases
button in the Rigorous Heat ExchangerFeeds and Products Data window.

Calculation Type

The calculation type is selected from a drop-down list in the Rigorous Heat
Exchanger window. The available options are:

Rating: Determine the heat transferred with the defined area and fouling factors.
The default.

Fixed Duty: Determine the fouling factors and exit temperatures from the defined
duty.

246 PRO/II USER GUIDE JUNE 2006


Tube Outlet Temperature: Determine the duty, fouling factors, and shell
exit temperature from the defined tube outlet temperature.

Shell Outlet Temperature: Determine the duty, fouling factors, and tube
exit temperature from the defined shell outlet temperature. If the selected
calculation type is not Rating, a value must be supplied for the duty or exit
temperature as appropriate.

Exchangers Attached to Columns

Exchangers may be attached to any tray of a column for which a duty is defined,
either heating or cooling. To attach an exchanger to a column, double-click
Attach to Column for the shell or tube side on the Rigorous Heat Exchanger
Feed and Products Data window and supply the appropriate information in the
window provided.

A column internal stream is considered as one side of the exchanger and a


process stream is defined for the other side.

Attached exchangers may be used to represent the condenser or reboiler for the
column, a pumparound, or side heater/cooler. For side heaters and coolers, the
column stream may be the vapor or liquid from the tray to which the exchanger is
attached, the vapor from the tray below, or the liquid from the tray above.

If the Calculation Type does not fix the exchanger duty or one of the outlet
temperatures, the exchanger duty will be fixed by the column heater or cooler. It
is generally best to allow the column operation to determine the duty required to
meet the defined performance. If the duty is fixed by an exchanger specification,
it is considered a fixed duty for the column calculations.

Overall Configuration

The overall configuration is defined in the Rigorous Heat Exchanger window by


entering one or more of the configuration parameters:
Number of Tubes/Shell
Area/Shell
Shell Inside Diameter

A value for at least one of these parameters must be supplied. If any of these
parameters is missing, it will be calculated from the others.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 247


Configuration Data

The configuration details are defined in the Rigorous Heat Exchanger


Configuration Data window accessible via Configuration on the main data entry
window. All data in this window have default values:

Number of Shells in Series: This is the number of identical shells connected in


series in the unit. Both shell and tube sides are considered to be piped in series.
The default is 1 shell.

Number of Shells in Parallel: This is the number of identical shells connected in


parallel in the unit. Both shell and tube sides are considered to be piped in
parallel. The default is 1 shell.

Number of Tube Passes/Shell: This can be any integer value between 1 and
16. The default is 2. Odd numbered values are allowed, but are not
recommended.

Orientation: The exchanger orientation is selected from the drop-down list as


either Horizontal or Vertical. The default is Horizontal.

Configuration: The direction of fluid flow is selected from the drop-down list as
either Countercurrent or Cocurrent. The default is Countercurrent.

TEMA Type: The three characters for the TEMA type (front, shell and rear of the
exchanger) are selected separately from drop-down lists. The default is AES.

Tube Data

Details of the exchanger tubes are entered in the Rigorous Heat Exchanger Tube
Data window which is accessed via Tubes on the main data entry window. All
tube data have default values.

Length: The nominal tube length includes the thickness of both tube-sheets. For
U-tubes, it includes the thickness of the tubesheet and the last baffle. The length
defaults to 20 ft (6.1 m).

Outside Diameter: The tube outside diameter defaults to 0.75 inches (19.05
mm).

Thickness: The tube thickness may be defined as:


Inside Diameter
Wall Thickness
BWG

248 PRO/II USER GUIDE JUNE 2006


Bare tubes default to an inside diameter of 0.58402 inches (14.834 mm). Finned
tubes default to an inside diameter of 0.49598 inches (12.573 mm).

Pitch: The center-to-center distance between tubes defaults to 1.0 inch (25.4
mm).

Pattern: The tube pattern is selected from the drop-down list. The options are
Triangular30 Degrees, Square90 Degrees (default), Rotated Triangular60
Degrees, and Rotated Square 45 Degrees.

Sheet Thickness: The tubesheet thickness is calculated if it is not supplied.

Fin Data

The default is not to have finned tubes. If fins are specified, the surface area may
be entered directly or calculated from the fin data.

Extended Surface Area: This is the total surface area of the tubes including the
finned and bare surface areas. A value entered here, overrides the calculated
area.

Fins/Inch: This is the number of fins per inch of tube length. (Default is 19).

Thickness: The fin thickness defaults to a value in inches equal to 0.5/(Fins per
Inch).

Height Above Root: The fin height above the root defaults to a value equal to
(Tube Outside Diameter - Root Diameter)/2.

Root Diameter: The root diameter is the tube diameter at the base of the fins
and it defaults to 0.625 inches.

Baffle Data

Details of the exchanger baffles are entered in the Rigorous Heat Exchanger
Baffle Data window accessible via Baffles on the main data entry window. All
baffle data have default values.

Baffle Type: The type is selected from the drop-down list. The options are No
Baffles, Single (default), Single Baffles - No Tubes in Window and Double.

Baffle Geometry Data: The baffle cut is the height of the window divided by the
shell inside diameter and it defaults to 0.2. Alternatively, the Net Free Area Ratio
may be entered instead. This is the area of the window divided by the cross-
sectional area of the shell.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 249


Center Spacing: If a value is not supplied, the baffle center-to-center spacing is
calculated by default to be 0.2*(Shell Inside Diameter). Any value entered will be
ignored if both Inlet Spacing and Outlet Spacing are defined and the value will be
calculated to provide even spacing.

Inlet Spacing: This is the center-to-center spacing between the tubesheet and
the inlet baffle. If the inlet spacing is not supplied, it is calculated to meet the
center spacing or, if no center spacing is defined, it defaults to 5 inches (133 mm)
for bare tubes or 3 inches (88 mm) for finned tubes.

Outlet Spacing: This is the center-to-center spacing between the tubesheet and
the outlet baffle. If the outlet spacing is not supplied, it is calculated to meet the
center spacing or, if no center spacing is defined, it defaults to 5 inches (133 mm)
for bare tubes or 3 inches (88 mm) for finned tubes.

Thickness: If a value is not supplied, the baffle thickness defaults to 0.1875


inches (4.763 mm).

Number of Sealing Strips: This is the number of pairs of sealing strips per
cross-flow pass. It defaults to zero.

Film Coefficient Data

Film Coefficient Data are entered in the Rigorous Heat Exchanger Film
Coefficient Data window accessible via Film Coefficients on the main data
entry window. These data provide adjustment factors and override values for the
heat transfer parameters.

Overall U-value Estimate: This is the initial value for the heat transfer coefficient
used in the calculation. The default is 50 Btu/hrft2F (244.1 kCal/hrm2 C or
1021.9 kJ/hrm2 K).

Overall U-value Scale Factor: This is a multiplier which is applied to all


calculated heat transfer coefficients. It can be used in order to match plant data
more closely. It defaults to 1.0.

Tubeside and Shellside Data

The following items have separate entries for each side of the heat exchanger.

Scale Factor: This is a multiplier which is applied to the film coefficient for the
specified side of the exchanger. It defaults to 1.0.

Coefficient: If a value is entered, it overrides the calculated film coefficient for


the specified side.

250 PRO/II USER GUIDE JUNE 2006


Fouling Resistance: Thermal fouling resistance defaults to 0.002 ft2 hrF/Btu
(0.00041 m2 hrC/kCal or 0.00010 m2 hrK/kJ). If a duty or exit temperature is
specified, the fouling will be calculated.

Fouling Thickness: The thickness of the fouling layer may be entered to model
its effect on the pressure drop. The default value is zero.

Material Data

Tube and shell material property data are entered in the Rigorous Heat
Exchanger Material Data window accessible via Materials on the main data
entry window.

The default material is carbon steel. A different material may be selected from a
drop-down list which shows the materials in the library.

Individual properties of the selected material may be overridden. Alternatively,


the user may select User-added Material from the list and then supply the name
and properties of the material. The list of materials in the library is tabulated
below.

Heat Exchanger Materials of Construction


Material Density Conductivity
3 3
Description Label lb/ft kkg/m Btu/hr.ft.F kCal/hr.m.C W/m.K

Carbon CARB STL 490.8 7862 30.0 44.6 51.9


Steel
Carbon- CARB MLY 493.2 7900 29.0 43.2 50.2
moly Steel
0.1C, 0.5Mo
Chrome- CHRM MLY 490.1 7851 27.0 40.2 46.7
moly Steel
1.0Cr,
0.5Mo
Low LOW 487.0 7801 25.0 37.2 43.3
Chrome CHRM
Steel
2.25Cr,
1.0Mo
Medium MED 480.7 7700 21.0 31.2 36.3
Chrome CHRM
Steel 5.0Cr,
1.0Mo
Straight STR CHRM 487.0 7801 14.0 20.8 24.2
Chrome
Steel 12Cr
304 304 S.S. 501.1 8027 9.3 13.8 16.1
Stainless
Steel 18Cr,
8Ni
310 310 S.S. 501.1 8027 7.8 11.6 13.5

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 251


Stainless
Steel 25Cr,
20Ni

316 316 S.S. 501.1 8027 9.4 14.0 16.3


Stainless
Steel 17Cr,
12Ni

321 321 S.S. 494.2 7916 9.2 13.7 15.9


Stainless
Steel 18Cr,
10Ni

Aluminum A1060H14 170.0 2723 128.3 190.9 222.1


1060 H14

Aluminum A1100 AN 169.3 2712 128.3 190.9 222.1


1100
Annealed

Aluminum A3003H14 171.1 2741 111.0 165.2 192.1


3003 H14
Annealed

Aluminum A3003H25 171.1 2741 111.0 165.2 193.1


3003 H25
Annealed

Aluminum A6061 T4 169.3 2712 95.0 141.4 164.4


6061 T4
Tempered
Aluminum A6061 T6 169.3 2712 95.0 141.4 164.4
6061 T6
Tempered

Copper COPPER 556.4 8913 225.0 334.2 389.4

Arsenical COPPER 560.0 8970 187.0 278.3 323.6


Copper AS

Copper CUNI9010 559.0 8954 26.0 38.7 45.0


Nickel 90/10

Copper CUNI8020 558.5 8946 22.0 32.7 38.1


Nickel 80/20

Copper CUNI7030 585.0 9371 17.0 25.3 29.4


Nickel 70.30

Copper CUNI6040 554.7 8885 12.9 19.2 22.3


Nickel 60/40

Red Brass RED BRAS 546.0 8746 92.0 136.9 159.2


85Cu, 15Zn

Admiralty ADMRALTY 531.0 8506 64.0 95.2 110.8

252 PRO/II USER GUIDE JUNE 2006


Brass 71Cr,
28Zn, 1Sn

Commercial COM BRAS 529.0 8474 67.0 99.7 116.0


Brass 55Cu,
34Zn

Muntz Metal MUNTZ 524.0 8394 71.0 105.7 122.9


60Cu, 40Zn

Aluminum AL BRONZ 510.0 8169 48.0 71.4 83.1


Bronze
93Cu, 5Al

Aluminum AL BRASS 520.0 8330 58.0 86.3 100.4


Brass 78Cu,
2Al

Nickel NICKEL 556.4 8913 45.2 67.3 78.2


Annealed

Low Carbon L CRB NI 554.7 8885 35.0 52.1 60.6


Nickel
Annealed

Monel MONEL NI 551.2 8829 14.5 21.6 25.1


Nickel 70Ni,
30Cu

Inconel 600 INCNL600 525.3 8414 8.7 12.9 15.0


76Ni, 16Cr,
8Fe

Titanium TITANIUM 281.6 4511 9.5 14.1 16.4


Grade 2

Pressure Drop Data

Pressure drop data are entered in the Rigorous Heat Exchanger Pressure Drop
Data window accessible via Pressure Drop on the main data entry window.
These data provide adjustment factors and override calculated values for the
pressure drops. All data may be defaulted.

By default the pressure drops are calculated for each side of the exchanger. A
scale factor may be applied to the calculated value for either side or the pressure
drops may be overridden.

DP Scale Factor: This is a multiplier which is applied to the pressure drop for the
specified side of the exchanger. It defaults to 1.0.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 253


DP / Shell: If a value is entered, the pressure drop per shell overrides the
calculated pressure drop for the specified side.

DP / Unit: If a value is entered, the pressure drop for the exchanger unit
overrides the calculated pressure drop for the specified side.

Shellside Pressure Drop Method: The method may be selected from Bell
(default) for the Bell-Delaware method or Stream for the stream analysis
technique.

Print Options

Additional output reports are selected in the Rigorous Heat Exchanger Print
Options window accessible via Print Options on the main data entry window.

Extended: By default, a standard TEMA data sheet is produced for the


exchanger. Checking the Extended check box produces an additional data sheet
with information about stream properties, heat exchanger configuration and
hydrodynamics.

Zones: Checking the Zones check box produces an additional table showing the
phase and zone boundaries used to calculate the duty-averaged log-mean-
temperature difference.

Zones Plot: Checking the Zones Plot check box produces a plot showing the
phase and zone boundaries used to calculate the duty-averaged log-mean-
temperature difference.

Nozzle Data

The default nozzle type and sizes can be overridden in the Rigorous Heat
Exchanger Nozzle Data window accessible via Nozzles on the main data entry
window.

The default is to use conventional nozzles with calculated inside diameters.


Nozzle data only affects the calculated pressure drop in the exchanger.

Use Tube Side Nozzle or Use Shell Side Nozzle: If either check box is
unchecked, the nozzle pressure drop will not be calculated for that side of the
exchanger.

Inside Diameter: The calculated diameters may be overridden. The Inlet and/or
Outlet diameter may be entered.

254 PRO/II USER GUIDE JUNE 2006


Use Annular Shell Side Nozzles: If this box is checked, the pressure drop will
be calculated for annular rather than conventional nozzles. In this case, click
Enter Data to open the Annular Nozzle Data window to enter the nozzle
details. The required data are:

Inlet and outlet annular passage lengths


Inlet and outlet groove areas
Inlet and outlet annular-shell wall clearances

Thermodynamic System

The thermodynamic system of methods to be used for each side of the rigorous
heat exchanger may be selected by choosing a method from the Thermodynamic
System drop-down list box on the Rigorous Heat Exchanger main data entry
window.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 255


Heat Exchanger, Simple

General Information

The Simple Heat Exchanger may be used to heat or cool a single process
stream, exchange heat between two process streams, or exchange heat
between a process stream and a utility stream. Rigorous calculations may be
performed for VLLE systems. It is also possible to attach an exchanger to any
tray of a distillation column and exchange heat between a process stream and a
column internal stream, either liquid or vapor.

Feeds and Products

For reference, streams and products are grouped according to the side of the
exchanger as hot or cold, where the feed stream(s) on the hot side are cooled
and the feed stream(s) on the cold side are heated. Multiple process feed
streams are permitted, with the lowest stream pressure used as the inlet
pressure.

The product from each side of an exchanger may be phase separated as desired
into multiple product streams, where products may be liquid, vapor, mixed phase,
and decanted water (hydrocarbon systems only). The water product stream
may also be used to represent a second liquid phase for systems in which
rigorous modeling of VLLE thermodynamics is considered.

Feed and product streams are accessed via the Heat Exchanger Process
Streams window which is opened by clicking Process Stream on the Heat
Exchanger main data entry window. The product phase condition for units with
one product stream is automatically set by PRO/II. For simple heat exchangers
with two or more product streams from a given side, the product phases must be
specified in the Product Phases window accessible by clicking Product Phases
on the Heat Exchanger Process Streams window.

Product phases allowable include: vapor, liquid, decanted water, heavy liquid,
and mixed phase (vapor plus liquid). Mixed phase is mutually exclusive with
vapor and liquid products and is not allowed when four product streams are
specified.

256 PRO/II USER GUIDE JUNE 2006


Utility Streams

For simple heat exchangers with one process side, a hot or cold utility stream
may be defined. The required utility rate for the specified heat transfer is always
computed. Utility streams may be specified by clicking Utility Stream on the
Heat Exchanger main data entry window to access the appropriate hot or cold
utility window.

Cold utility streams are supplied in the Heat Exchanger Cold Side Utility window.
Options are:

Water: Temperature in and out must be supplied. Sensible heat transfer only.

Air: Temperature in and out must be supplied. Sensible heat transfer only.

Refrigerant: A designated component is vaporized at its saturation pressure or


temperature. Latent heat transfer only.

Hot utility streams are supplied in the Heat Exchanger Hot Side Utility window.
Options are:

Steam: Steam is condensed at its saturation temperature or pressure. Latent


heat transfer only.

Heating Medium: A designated component is condensed at its saturation


temperature or pressure. Latent heat transfer only.

Configuration Data

Configuration data are supplied in the Heat Exchanger Configuration Data


window accessed by clicking Configuration on the main data entry window.
These data only apply to exchangers with two sides and are optional for all
exchangers for which a Performance Specification is provided (see below).

Flow Direction: Countercurrent or cocurrent. Default is countercurrent.

Tube and Shell Passes: When supplied, an N -2N configuration is always


assumed, where the number of shell passes is twice the number of tube passes.
The FT LMTD correction factor is computed, based on a correlation for N -2N
exchangers. Default is two tube and one shell pass, i.e., true countercurrent flow.

FT Factor: The LMTD correction factor for the exchanger. Note that this entry is
mutually exclusive with the Tube and Shell Passes.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 257


Performance Specifications

Exchanger performance is specified in the Heat Exchanger Specifications


window accessed via Specifications on the main data entry window.
Exchanger performance may be specified in a varity of ways:

Outlet Temperature: Temperature out for hot or cold process fluid. Temperature
Approach (Two-sided exchangers only)

HOCO: Hot out minus cold out.


HOCI: Hot out minus cold in.
HICO: Hot in minus cold out.
Minimum: Smaller of HOCI and HICO.
Minimum Internal Temperature Approach (MITA): Minimum internal
approach based on a zones analysis for the exchanger.

Duty: Overall heat transfer duty for the exchanger.

Outlet Stream Liquid Fraction: The liquid fraction for the hot or cold side exit
fluid where 0.0 indicates bubble point and 1.0 indicates dew point conditions.

Degrees of Superheat: The degrees of superheat (above the dew point) for the
hot or cold side exit fluid.

Degrees of Subcooling: The degrees of subcooling (below the bubble point) for
the hot or cold side exit fluid.

Overall Heat Transfer Coefficient (U): The area is calculated from this entry
when not supplied. When both U and Area are given, the heat transfer is
computed to satisfy the U*Area and no other performance specifications are
allowed for the exchanger.

Exchanger Area: The overall heat transfer coefficient for the exchanger is
calculated from this entry when not supplied. When both U and Area are given,
the heat transfer is computed to satisfy the U*Area and no other performance
specifications are allowed for the exchanger.

Lumped UA Specification: The product of overall heat transfer coefficient and


exchanger area may be supplied directly.

Individual U and Area Specification: Individual values for the overall heat
transfer coefficient and exchanger area may be supplied directly.

Maximum U *Area: A maximum U*Area may be supplied to limit the heat


transfer otherwise determined by a performance specification if necessary. This

258 PRO/II USER GUIDE JUNE 2006


specification is not allowed when either a Lumped UA specification or the
exchanger overall U and Area have been supplied individually.

Zones Analysis

Zones analysis is requested by clicking Zones Analysis on the main data entry
window. The duty-weighted LMTD may be computed for exchangers in which
phase changes occur by dividing the exchanger into at least five zones of equal
duty. More zones may be requested as desired. Zones analysis is automatically
performed for exchangers with MITA specifications. For other types of
specifications, the zones analysis may be performed during exchanger
calculations or at the completion of all calculations, as requested. Warning
messages are given for temperature crossovers.

Exchangers Attached to Columns

Exchangers may be attached to any tray of a column for which a duty is defined,
either cooling or heating. To attach an exchanger to a column, click Attach to
Column on the main data entry window and supply the appropriate information
in the window provided.

An internal column stream is considered as one side of the exchanger; a process


stream or utility stream defined for the exchanger is the other side. Note that for
utility streams, the duty must be determined by the column calculations.

Attached exchangers may be used to represent the condenser or reboiler for the
column, a pumparound cooler, or a side heater or cooler. For side heaters and
coolers, the column stream may be: the vapor or liquid from the tray to which the
exchanger is attached, the vapor from the tray below the tray to which the
exchanger is attached, or the liquid from the tray above the tray to which the
exchanger is attached.

It is generally best to let the exchanger duty be determined in the column


operation to meet a desired separation criterion. If the duty is defined by a
performance specification for the exchanger, it is considered a fixed duty for
column calculations.

Thermodynamic System

The thermodynamic system of methods to be used for each side of the simple
heat exchanger may be selected by choosing a method from the Thermodynamic
System drop-down list box on the Heat Exchanger main data entry window.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 259


Heating/Cooling Curves

General Information

The Heating/Cooling Curve utility module develops heating or cooling curves for
any stream in the flowsheet. The tables are a composite of equilibrium flashes,
and present the data typically required for the design of heat transfer equipment.
Curves may be generated by using equal temperature increments or equal duty
increments. Additional points are included when phase boundaries are crossed.

For the Flash, Heat Exchanger, and Column unit operations, a convenient means
is provided to retrieve the streams involved in heat transfer and generate curves
based on the actual duties for the units. For other flowsheet streams, you may
define the desired temperature or duty ranges for the curves.

In addition to the standard thermal properties, additional properties may be


requested for the reports. These properties include physical, critical,
thermodynamic, transport, and petroleum properties.

Heating/Cooling Curves for Flowsheet Streams

A drop-down list box is used to retrieve flowsheet streams for which curves are
desired in the Heating/Cooling Curves main data entry window. After selecting a
stream, click Enter Data to open the Heating/Cooling Curve for Flowsheet
Stream window. This window is used to select the boundaries for the curves,
type of curves, number of points for the curves, and the report options.

A combination of two specifications is used to define the type and boundaries for
the curves. Curves may be at equal temperature increments, equal duty
increments, or may be the dew point or bubble point curve for the fluid. Dew and
bubble points may be calculated at defined pressures or at defined temperatures.
When the temperature and pressure ranges are defined for a curve, the resultant
points are always at equal temperature/pressure intervals. When a temperature,
pressure, or duty increment is defined for a curve, the starting point is always
taken to be the current stream conditions.

The number of points for the curves may be selected on this form by replacing
the default number of 11. When phase boundaries are crossed, additional points
are added to the report which represent the transition points.

260 PRO/II USER GUIDE JUNE 2006


A check box may be used to select printout of liquid activity coefficients, vapor
fugacity coefficients, and Poynting correction factors for thermodynamic systems
based on liquid activity coefficients. The equilibrium K-values for the components
may also be selected for printout with a check box.

Heating/Cooling Curves for Unit Operations

A drop-down list box is provided for selection of unit operations for which curves
are desired in the Heating/Cooling Curves main data entry window. Units for
which curves may be requested include the Flash, Heat Exchanger, and Column.

To select the options for the unit:

Click Enter Data adjacent to the unit name.

The appropriate window for the unit operation appears for selection of curve
options. In each case, the user may specify printout options for liquid activity
coefficients, vapor fugacities, and Poynting corrections for thermodynamic
systems based on liquid activity coefficients. The equilibrium K-values for the
components may also be selected for printout.

Heating/Cooling Curves for Flash Units

Check boxes and radio buttons are used on the Heating/Cooling Curves for
Flash Drum window to select the options for the curves. The temperature and
pressure range is predefined as the inlet and outlet conditions for the Flash.

The curves may be defined as isothermal, i.e., at equal temperature increments,


or as adiabatic, i.e., at equal duty increments. The number of points for the
curves may be selected on this form by replacing the default number of 11. When
phase boundaries are crossed, additional points are added to the report which
represent the transition points.

Heating/Cooling Curves for Heat Exchangers

Check boxes and radio buttons are used on the Heating/Cooling Curves for Heat
Exchangers window to select the options for the curves. The temperature and
pressure range is predefined as the inlet and outlet conditions for each side of
the Heat Exchanger.

The curves may be defined as isothermal, i.e., at equal temperature increments,


or as adiabatic, i.e., at equal duty increments. The number of points for the
curves may be selected on this form by replacing the default number of 11. When
phase boundaries are crossed, additional points are added to the report which
represent the transition points.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 261


Heating/Cooling Curves for Columns

Column streams are selected in a drop-down list box on the Heating/Cooling


Curves for Column Internal Streams window. Streams available include the
condenser and reboiler feeds, and feeds to trays with duties such as side
reboilers and pumparound coolers. The curves may be defined as isothermal,
i.e., at equal temperature and pressure increments, or as adiabatic, i.e., at equal
enthalpy and pressure increments. The temperature and duty ranges are
predefined as the unit operating conditions. A pressure range may be added to
pumparound streams to simulate the effects of pumping.

The number of points for the curves may be selected on this form by replacing
the default number of 11. When phase boundaries are crossed, additional points
are added to the report which represent the transition points.

Standard Reports

Standard reports include the data in the table below:

Total Feed Vapor Liquid

Temperature X
Pressure X
Molar Flow X X

Enthalpy X X X

Weight Flow X X

Molar Entropy X X X

Additional Stream Properties

These properties are requested by clicking Report Additional Stream Properties


on the Heating/Cooling Curve main data entry window. These properties are
reported in addition to the standard reports for all curves selected for the
Heating/Cooling Curve.

262 PRO/II USER GUIDE JUNE 2006


Additional Stream Properties Reports

Additional reports include the data tabulated below:

Total Feed Vapor Liquid

Molecular Weight X X
Actual Density X X
Volumetric Flow X X
Compressibility X
Factor
Specific Gravity X
Flowing Entropy X X X
Enthalpy (unit basis) X X X
Latent Heat X X
Heat Capacity X X
Viscosity X X
Thermal X X
Conductivity
Surface Tension X
Critical Temperature X X
Critical Pressure X X
Critical X X
Compressibility
API Gravity X X
Watson K Factor X X
Molar Average X X
Boiling Point

Plots

Refer to Chapter 11, Printing and Plotting, for more information about generating
graphical plots of Heating/Cooling Curve results.

Thermodynamic System

You may select the thermodynamic system of methods to be used for


heating/cooling curves calculations by choosing a method from the
Thermodynamic System drop-down list box on the Heating/Cooling Curves main
data entry window.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 263


Mixer

General Information

The Mixer unit combines two or more streams into a single product stream. The
outlet pressure may be specified if desired. The outlet temperature and phase
condition are always determined with an adiabatic flash from the feed conditions.
This unit supports both VLE and VLLE calculations.

Feeds and Products

The inlet pressure is assumed to be the lowest feed pressure. There is no limit
on the number of feed streams to a mixer.

Only one product stream is allowed for a mixer. PRO/II automatically sets the
temperature and phase condition for the product. If phase separation of the
product is desired, a separate flash unit must be used for this purpose.

Outlet Pressure Specification

The pressure specification for the mixer product is selected with the appropriate
radio button on the Mixer window:

Pressure drop from feed conditions, or


Outlet pressure

If neither entry is supplied, the default is a pressure drop of zero.

Thermodynamic System

The thermodynamic system of methods to be used for mixer calculations may be


selected by choosing a method from the Thermodynamic System drop-down list
box on the Mixer main data entry window.

264 PRO/II USER GUIDE JUNE 2006


Multivariable Controller

General Information

The Multivariable Controller (MVC) is an expanded form of the Controller and


simulates two or more feedback process controllers. The MVC is capable of
adjusting an unlimited number of upstream variables to reach the same number
of specified objectives. Each of the SPECifications may be a stream flowrate or
property, a unit operating condition, or a Calculator result. The control variables
may be stream and unit operation conditions, thermodynamic parameters, and
Calculator results that are otherwise at fixed values in the flowsheet.

For the Multivariable Controller, the number of variables must equal the number
of specifications. The linked text above the Specifications grid in the Multivariable
Controller main data entry window indicates whether the current number of
specifications equals the number of variables. If they are unequal, the hypertext
string does not equal will appear in red.

Specifications

Establish the SPECifications by clicking the appropriate linked text in the


Specification grid of the Multivariable Controller window. MVC SPECifications are
established in the same manner as for the simple Controller SPECifications. See
the SPEC/VARY/DEFINE section of this chapter for further details on the
generalized SPEC form.

Variables

Establish the control variables (VARYs) by clicking the linked text string
Parameter in the Variable grid of the Multivariable Controller window. MVC
VARYs are established in exactly the same manner as simple Controller VARYs.
See the SPEC/VARY/DEFINE section of this chapter for more information on the
VARY concept. Tables are also given in that section listing the flowsheet
variables that may be used for SPECs and VARYs for multivariable controller
units.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 265


Variable Limits and Step Sizes

You may input limits for the each control variable, if desired. Variable limits and
steps sizes for MVC are established in exactly the same manner as simple
Controller limits and step sizes. In contrast to the simple Controller which has a
default percent change of 2.0% of the initial control variable for the second
iteration, the MVC has a default percent change of 10.0%.

Optional Variable Scaling

Select the Use User-defined Variable Scaling check box on the Variable Limits
window to enable a linear formula for scaling the variable. In order to access this
window, click on the default limits linked text in the Variables field in the
Multivariable Controller window. After you have enabled the Scaled Variable
formula, the default limits linked text will change to read user-defined limits.

Defaults for the scaled variable data are displayed on the Options window which
can be accessed via MVC Options on the Multivariable Controller window. The
same initial value, step sizes and tolerances are applied to all scaled parameters
in the MVC. You may enter your own values here to replace the default values
100, 10, and 10-5 respectively.

Number of Calculation Cycles

You may access several options for the operation of the MVC through the MVC
Options button on the Multivariable Controller window.

The default for the number of calculation cycles is calculated by the program as
18 plus the current number of variables. Alternatively, you may specify the
number of cycles by selecting the appropriate radio button on the Options
window.

By default, the simulation will stop if any variable exceeds the maximum or
minimum limits. You may select the Continue Calculations if Any Variable
Exceeds the Limits check box to continue calculations using the limiting value if
the limit is exceeded.

Selecting the Next Unit Calculated After Control Variable is Updated

Normally, the first unit operation in the calculation sequence affected by the
control variable is the next unit calculated after the control variable is updated.
Normally, the calculation sequence is determined automatically by PRO/II.
However, you must supply a calculation sequence youself whenever any of the
control variables are thermodynamic parameters. You may specify the return unit
by choosing a unit from the drop-down list box on the Options window.

266 PRO/II USER GUIDE JUNE 2006


Print Results for Multivariable Controller

The default is to suppress printing of a convergence report. The Print Options


window allows you to override the default. This window is accessed by clicking
Print Options on the Multivariable Controller window or be selecting
Output/Report Format/Unit Operations from the menu. A convergence summary
can be printed after the last cycle or after every cycle by selecting the appropriate
radio button. Select the Include Convergence Diagnostics check box to generate
a plot of the convergence diagnostics. Select the Include Convergence
Diagnostics check box to generate a plot of the convergence diagnostics.

Nonconvergence of Multivariable Controllers

See the Controller section of this chapter for a discussion of convergence


techniques used in the Multivariable Controller calculations.

Controllers and Recycle Loops

See the Controller section of this chapter for a discussion of recycle loops.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 267


Phase Envelope

General Information

The Phase Envelope utility module generates phase envelopes for


multicomponent streams using the Soave-Redlich-Kwong or Peng-Robinson
equations of state. The module is not available for other thermodynamic systems.

Phase envelope generation is performed after the completion of flowsheet


calculations and has no effect on flowsheet convergence. For systems with
noncondensible gases such as hydrogen, helium, and nitrogen it may not be
possible to converge bubble point calculations and results should be reviewed
carefully.

Selection of Streams

You may select feed and product streams from any of the unit Operationsin the
flowsheet for phase envelope generation. Up to five flowsheet streams may be
selected using drop-down list boxes in the Phase Envelope main data entry
window. You may optionally supply a liquid mole fraction for any of the selected
flowsheet streams to generate a curve at a constant liquid mole fraction. This
option is useful for generating liquid fraction curves to be superimposed on the
phase envelope. Normally, you would first select a flowsheet stream with no
liquid fraction entry to generate the phase envelope, followed by one or more
selections with specified liquid fraction entries to generate a family of curves. It is
not permissible to duplicate the same stream with the same liquid mole fraction in
a single phase envelope.

Plot Options

Select a plot option for the phase envelope in the Phase Envelope Plot Options
window which you can access by clicking Plot Options on the Phase Envelope
main data entry window.

For each selected stream, a default descriptive label is provided in this window.
The default label will contain the stream name and an L/F value if specified. You
may modify each label. Duplicate labels are not allowed. An example default
stream label with a specified L/F is: S100 - L/F= 0.9".

268 PRO/II USER GUIDE JUNE 2006


A drop-down list box contains plot options as follows:

None - The default

Individual - Individual generates a plot with only the stream selected.


Comparison All streams with the Comparison option are plotted on the same
graph. The Comparison option is useful for plotting a stream phase envelope with
superimposed curves of constant liquid mole fraction. When you select the
Comparison option for a stream, you will be prompted to provide a comparison
plot symbol to label the data points for the generated curve. The symbol may be
an integer number in the range one through nine. If you do not provide a symbol
is not provided for the comparison plot, the next available integer between one
and nine is used

Individual and Comparison - The Individual and Comparison option performs


both the Individual and Comparison options for a stream.

Thermodynamic System

Select the thermodynamic system of methods to be used for Phase Envelope


calculations by choosing a method from the Thermodynamic System drop-down
list box on the Phase Envelope main data entry window.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 269


PIPEPHASE Unit Operation

General Information

The PIPEPHASE Unit Operation (PPUOP) encapsulates a PIPEPHASE


simulation enabling it to be solved in sequential modular form within a
conventional PRO/II simulation. The PPUOP allows the user to link PRO/II
simulation streams to PIPEPHASE simulations streams so that stream properties
from a PRO/II simulation is passed to the PIPEPHASE simulation, and back to
PRO/II upon solution of the PIPEPHASE simulation. As with any unit operation in
PRO/II, the PPUOP can be accessed multiple times in calculation loops, and a
PRO/II simulation can have multiple instances of PPUOPs in the flowsheet.

The PPUOP is represented as an icon and is similar to other PRO/II unit


operations. It can be initialized with a PIPEHASE simulation.

Note: PRO/II currently supports PIPEPHASE v8.2 and later versions.

Feed and Product Streams

The PIPEPHASE Unit Operation (PPUOP) can have multiple feed and product
streams connected to it. The PRO/II feed streams are always mapped to the
Sources in a PPUOP and the product streams are mapped to the Sinks in a
PPUOP. The PPUOP Source can be specified with one feed stream only where
as the Sink unit operation data can be mapped to multiple product streams.

The stream properties that can be transferred through mapping are:


Temperature, Pressure, Flowrate and Composition.

Component mapping

Component mapping is allowed only if the number of components in both PRO/II


and PIPEPHASE are equal. The components can be mapped by either Name or
Index. These two options can be selected from the Component mapping drop-
down list in the PRO/II PIPEPHASE window, which can be accessed by double-
clicking the PPUOP.

If the components are mapped by Name, the PRO/II component data is mapped
with the PIPEPHASE component of the same name.

270 PRO/II USER GUIDE JUNE 2006


If the components are mapped by Index, then the first component in the PRO/II
component data list is mapped with the first component of the PIPEPHASE
component data list, irrespective of the component names.

Initialization

The PPUOP can be initialized with a PIPEPHASE simulation (.inp for


PIPEPHASE 8.2 and either a .inp or a .ppzip for PIPEPHASE 9.0) by clicking
Initialize from PIPEPHASE simulation in the PRO/II PIPEPHASE window. If the
user reinitializes a PIPEPHASE simulation with another simulation, then all the
information of the previous simulation will be removed.

Note: If PIPEPHASE version 8.2 files are used for initialization, it is necessary
that the GUI database files, (.pp0 and .pp1) be present. Otherwise, the user
needs to generate the PIPEPHASE GUI database files by importing the
corresponding keyword file.

PIPEPHASE GUI

The PIPEPHASE GUI can be launched from within the PRO/II flowsheet. The
user can commit the changes made to the simulation in the GUI, and export the
changes to the keyword input file. The user can launch the PIPEPHASE GUI by
clicking the PIPEPHASE GUI..button in the PRO/II PIPEPHASE window.

Note: If PIPEPHASE v8.2 GUI is launched, it is necessary that the PIPEPHASE


GUI files (.pp0 and .pp1) of that simulation are present. If not present, a warning
message is displayed. The user is then required to export the keyword file.
However, for version 9.0, changes made in the PIPEPHASE GUI will be
automatically exported to the keyword file while saving the simulation.

Export
The user can export a copy of the PIPEPHASE simulation to an external location
by clicking Export to external PIPEPHASE simulation.

PIPEPHASE Reports
The PIPEPHASE Report displays only the results of the PIPEPHASE simulation
and not the PRO/II PIPEPHASE integration flowsheet.

You can view the results of a solved PIPEPHASE simulation by clicking


PIPEPHASE Reportbutton in the PRO/II PIPEPHASE window or right-click the
PIPEPHASE icon and select View Results.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 271


Stream link specifications

A link between the PRO/II simulation and a PIPEPHASE simulation can be


established on the Stream Link Specifications grid, in the PRO/II PIPEPHASE
window. This window can be accessed by double-clicking the PPUOP icon.
PRO/II streams that have been attached as feeds, and products are displayed on
the left side of the grid. PIPEPHASE Source streams are available on the drop-
down lists on the right side, adjacent to PRO/II feed streams, and PIPEPHASE
Sink streams are available on the drop-down lists on the right side, adjacent to
the PRO/II product streams.

Define Data link specifications

The parameters of a PIPEPHASE unit operation can be specified as


Spec/Vary/Define variables from within a PRO/II simulation to control either a
PRO/II flowsheet or a PIPEPHASE network simulation.

The Spec/Vary/Define variables can be specified in the Data Link specifications


grid. This grid is available in the PRO/II PIPEPHASE window, which can be
accessed by double-clicking the PPUOP. Check the option Define data link
specifications to access the grid.

For more details on these concepts, refer to the SPEC/VARY/DEFINE section of


Chapter 9 in this manual.

File Handling

When you drag and drop a new PPUOP on the PFD, and initialize it with a
PIPEPHASE simulation, a copy of the PIPEPHASE file along with its database
files is stored in the PRO/II Temp directory. This Temp folder is called the
Managed folder and it will be the working directory for that specific PPUOP. All
PIPEPHASE related files reside in this folder during the PRO/II simulation run.
The files in the Managed folder are under the control of PRO/II and any changes
made to these files by providing inputs through the PIPEPHASE GUI launched
by clicking PIPEPHASE GUI are saved to the files in the Managed folder and
not to the PIPEPHASE database files in the original location.

When a PRO/II session is saved, a new zip file PRZfileanme_UnitID.zip with all
the PIPEHASE files (.inp, .pp0, .pp1, .out and other intermediate files for version
8.2 and. ppzip for version 9.0) is created by copying all the PIPEPHASE files
from the Managed folder. This zip file will be archived into the PRO/II .prz along
with the conventional PRO/II (.pr1, .pr2, .sfd..) files.

272 PRO/II USER GUIDE JUNE 2006


Pipe

General Information

The Pipe unit is used to model single or multiphase pressure drops in pipes
and/or fittings which connect unit operations. This unit may be used in two
modes: Rating Mode where the pressure drop is computed based on a specified
line diameter, and Design Mode where the line diameter is calculated to meet a
specified pressure drop and/ or velocity criteria. Numerous algorithms are
provided for the pressure drop calculations to model a variety of piping
applications. A rigorous heat balance may also be performed for the calculations,
in which heat is transferred through the pipe to or from an ambient medium, or a
duty is uniformly applied to the length of the pipe. The phase equilibrium is
determined for the product and it may be separated into streams according to the
phases. Both VLE and VLLE calculations are supported by this unit.

Feeds and Products

A pipe operation may have multiple feed streams, in which case the inlet
pressure is assumed to be the lowest feed stream pressure.

A pipe may have one or more product streams. The product phase condition for
pipe operations with one product is automatically set by PRO/II. For pipe units
with two or more product streams, the product phases must be specified in the
Product Phases window which is accessed by clicking Product Phases on the
Pipe main data entry window.

Product phases allowable include: vapor, liquid, decanted water, heavy liquid,
and mixed phase (vapor plus liquid). Mixed phase is mutually exclusive with
vapor and liquid products and is not allowed when four product streams are
specified. It is important to note that where two liquid phases are present in
multiphase calculations, all pressure drop methods consider only a single liquid
phase which has fluid properties that are an average of the properties for the two
liquid phases.

Calculation Type

The Calculation Type may be selected with the radio buttons provided on the
Pipe main data entry window. Options are as follows:

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 273


Fixed Line Diameter - Forward Calculation (default)
Fixed Line Diameter - Backward Calculation
Line Sizing - Forward Calculation

Backward calculations determine the pressure drop in a backward, or reverse


direction, starting from the pipe outlet conditions. The pipe inlet conditions are
defined by the results of the backward calculations. The line sizing option may be
used for design mode, in which case the diameter of the pipe is determined to
meet a specified design criterion.

Note: Pipe calculations require liquid and vapor viscosities, and, for two phase
flow, the liquid surface tension. Therefore, the thermodynamic system chosen for
the calculations must provide these properties.

Corrective Action for Calculation Failures

The Continue text string on the Pipe main data entry window may be clicked to
select the corrective action for certain types of calculation failures. The default
option of Continue uses the best available solution or sets a negative computed
outlet pressure to a small value and allows the flowsheet calculations to continue.
For line sizing calculation failures, the line diameter which most closely satisfies
the design criteria is selected and flowsheet calculations continue. A maximum of
three consecutive failures is allowed for pipe units in recycle loops.

The Stop option terminates all flowsheet calculations whenever the pipe unit fails
to reach a solution, or a negative outlet pressure is encountered.

Pressure Drop Method

Select the pressure drop method in the Pipe Pressure Drop Method window
accessible via Pressure Drop Method on the Pipe main data entry window. The
pressure drop method is selected with the drop-down list box in this window, and
includes the following methods:

Beggs-Brill-Moody (BBM), Beggs-Brill-Moody with Palmer Correction (BBP),


Olimens (OLIMENS), Dukler-Eaton-Flanigan (DEF), Mukherjee-Brill (MB), Gray
(GRAY), and Hagedorn-Brown (HB). Beggs-Brill-Moody is selected as the default
correlation.

An optional estimated pressure drop may be supplied in this window to reduce


the computing time.

The convergence tolerance default of one percent and the default flow efficiency
of 100 percent may be replaced in this window. The flow efficiency is a linear

274 PRO/II USER GUIDE JUNE 2006


adjustment factor that is applied to the calculated pressure drop to better match
actual conditions.

The Moody friction factor for the pressure drop calculations may be supplied
directly in this window, if desired. If no value is entered, the Moody friction factor
is calculated using the modified Colebrook-White equations.

The check box may be used to include or exclude the pressure drop contribution
from acceleration. Under certain high velocity or high pressure drop conditions,
this term becomes unrealistically high for the Beggs-Brill-Moody equation.
Therefore, under these conditions, dropping this term results in a more
reasonable answer.

Note: The Beggs-Brill-Moody equation does not cover critical flow.

Line/Fitting Data

Line and fitting data are supplied in the Pipe Line/Fitting Data window which is
reached by clicking Line/Fitting Data on the Pipe main data entry window. For
fixed line diameter calculations, radio buttons on this window are used to select
the input mode for the pipe diameter. When the Inside Diameter radio button is
selected, the pipe inside diameter is supplied directly. When the Nominal Pipe
Size radio button is selected, a drop-down list box is used to select the desired
pipe nominal diameter from a table of common pipe sizes. For this option, the
pipe schedule may also be chosen with a drop-down list box. When no schedule
is chosen, schedule 40 pipe is assumed in most cases.

The line length is supplied directly in this window. The maximum allowable line
length is 900,000 feet (274,000 meters).

An elevation change over the line length may be entered in the Pipe Line/Fitting
Data window. A plus value indicates an increase in elevation; a minus sign
indicates a decrease in elevation. The absolute value of the elevation change
must not exceed the line length.

One fitting K-factor may be attached to a pipe unit and supplied in this window.
The K-factor is defined as the total resistance coefficient, and is limited to a
maximum value of 100.0. Note that the supplied K-factor may be used to
represent multiple fittings, valves, and exit losses. When a pipe unit is being used
to represent a fitting or fittings only, a negligible line length should be provided.

Radio buttons are used to select the pipe roughness in this window. The
Absolute roughness may be entered in length units or the Relative roughness
may be supplied. The roughness applies to both the line and the fitting. A default
absolute roughness of 0.0018 inches or equivalent (new steel pipe) is used when
no roughness is supplied.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 275


The number of calculation segments is selected by clicking the text string at the
bottom of this window. A maximum of 50 segments may be used. The pressure
drop calculations are based on the average fluid properties in a segment;
therefore, it is important to use multiple segments for systems in which the fluid
properties vary significantly over the line length (such as multiphase systems).
The number of calculation segments has a significant effect on the calculated
pressure drop for such systems. It is also recommended that long lines be
divided into segments of 10,000 feet (3040 meters) or less. Note that a default of
one segment is used for a pipe unit unless otherwise specified.

Note: When line sizing calculations are performed, the line/fitting diameter and
fitting K-factor cannot be supplied, and these data entry fields are not available.

Line Sizing Data

Line sizing data are supplied in the Pipe Line Sizing window which is accessed
by clicking Line Sizing Data on the Pipe main data entry window. Primary sizing
criterion options are:

Maximum Pressure Drop


Minimum Outlet Pressure

Values for the maximum pressure drop or the minimum outlet pressure are
supplied directly in the data entry fields provided.

A Maximum Average Fluid Velocity constraint may also be defined. This


constraint can not be violated, and the primary sizing criterion will be relaxed as
needed to not exceed the supplied maximum velocity.

The Line Inside Diameter Selection Method is chosen with radio buttons as
follows:
Use Explicitly-defined Inside Diameters
Use Nominal Pipe Sizes

A default inside pipe diameter table with ten diameters is provided. The default
values may be replaced as desired. Use Clear All to clear the pipe diameter
table. The Restore Defaults button restores the ten default diameters.

A table of nominal pipe sizes and corresponding schedule numbers may be


supplied in the Nominal Pipe Sizes window which is reached by clicking Enter
Data on the Pipe Line Sizing window. Up to ten pairs of data may be provided.
Nominal pipe sizes are selected from a table of supplied values via drop-down
list boxes. The corresponding schedule numbers are also selected via drop-down
list boxes. Pipe schedule numbers default to schedule 40 in most cases. The

276 PRO/II USER GUIDE JUNE 2006


Clear All button may be used to clear all selected nominal pipe sizes and
corresponding schedules.

Heat Transfer Data

Heat transfer data are supplied on the Pipe Heat Transfer window accessible via
the Heat Transfer icon on the Pipe main data entry window. The duty calculation
option is selected via radio buttons:
Fixed Duty
Ambient Heat Transfer
Isothermal Operation

For Fixed Duty calculations, the supplied duty is applied evenly over the entire
length of the line. A positive value is used for heating and a negative value
signifies cooling. This option with a duty of zero is used as the heat transfer
default option. This option may be used for both forward and backward
calculations.

An overall U factor and ambient temperature must be provided for the Ambient
Heat Transfer option. The U factor has units of energy/ (area)(time)(degree). A
default value of 6F is used for the ambient temperature. The heat transfer is
computed from the pipe segment inlet and outlet temperatures, U factor, pipe
inside area, and the ambient temperature. This option may not be used with
backward calculations.

The Isothermal Operation option performs all pressure drop calculations at the
inlet temperature to the pipe unit. This option is not allowed for backward
calculations.

Thermodynamic System

The thermodynamic system for the pipe calculations may be selected with the
drop-down list box on the Pipe main data entry window. The problem Default
system is used when no other thermodynamic system is selected.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 277


Polymer Reactor

General Information

The Polymer Reactor model simulates either a free radical or stepwise


polymerization process in an ideal Continuous Stirred Tank Reactor (CSTR) or
Plug Flow Reactor (PFR). The polymerization reactions are assumed to take
place in the liquid phase and the system is assumed to be homogeneous. The
reactors may be run in the isothermal or nonisothermal modes and the operating
pressure may be set.

The Polymer Reactor calculation model allows for up to 79 different reaction


mechanisms to be used in copolymer free radical kinetics. Not all are intended to
be used simultaneously, in fact, the fewer mechanisms specified for the polymer
system, the more realistic and reliable the model.

It is assumed that the polymerization reactions occur in the liquid phase. If the
reaction leads to a two phase situation, a warning message is given and the user
must then specify new operating conditions to keep the system in the one phase
region.

The CSTR mass and energy balances are solved to identify a single stable
operating point. The polymer which exists at this operating condition is then
characterized in terms of the method of moments to provide number and weight
average molecular weights.

The PFR mass and energy balances are solved to identify a sequence of stable
operating points along the axial dimension. The polymer which exists at each
point along the axial profile is then characterized in terms of the method of
moments to provide number and weight average molecular weights.

The user must supply the feed component temperature, pressure, and
composition along with an estimate of the temperature of the isothermal reactor
or a temperature estimate for the nonisothermal reactor. Kinetic and
thermodynamic data for the reaction between chemical species must also be
provided.

278 PRO/II USER GUIDE JUNE 2006


Detailed Information

For detailed information regarding operating modes, data requirements, and


range of applicability of the Polymer Reactor model, consult the PRO/II Add-On
Modules Users Guide.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 279


Procedure Data

General Information

Procedures provide a way to calculate the reaction rate based on a users own
calculation method. The reaction rate calculation is required by the plug, CSTR,
reactive distillation and batch reactor units. PRO/IIs default method for reaction
rate calculation is based on power law rate expressions. For any other rate,
expression type (such as Langmuir-Hishelwood) or any reaction rate which
deviates from the base rate (such as a reaction with a mass transfer limitation),
Procedures and the alternative User-Added Kinetic Subroutines (see PRO/II
User-Added Subroutines Users Guide) can be used to calculate the proper rate
for reactor simulations.

Procedures are essentially in line routines written in a language based on


FORTRAN 77. There are two sections to a Procedure: Setup and Code. The
setup section allows for the definition of each Procedures name, description,
variables and parameters. The code section is where all calculations are
performed. This section resembles a subroutine written in a FORTRAN-like
language.

Procedure Setup

Procedures are entered in the Procedure Data data entry window, which is
accessed through the Input/Procedure Data menu option or by clicking the
Procedure Data toolbar button . Each Procedure in this window has a
mandatory name and an optional description. As soon as the name for a
Procedure has been entered, its Enter Data button becomes available. The
button opens the Kinetic Procedure Definition window where you may click
Edit/View Declaration to access the Declarations of variables and parameters.

Any variable names entered in Defined Procedure Variables will be


available to transfer information from the reactor unit to the Procedures it
calls. They can be DEFINEd in the reactor unit, and accessed in the
same manner as any other variable in the Procedure code.
There is only one Parameter available to be specified, which is the
maximum number of reactions allowed. This only needs be changed if
the Procedure must handle more than the default of 15 reactions.

Once setup is complete, click Hide Declaration to close the Declarations.

280 PRO/II USER GUIDE JUNE 2006


Procedure Code

Note: The Procedure Code section is required and must terminate with a
RETURN statement.

The actual FORTRAN procedure is entered directly in the Code field on the
Kinetic Procedure Definition data entry window. You may check the procedure as
you compose it by clicking Check Code. The following predefined varibles are
provided from the calling reactor unit:

Kinetic data: These are the kinetic parameters are provided via K of
the Reaction Data section, and/or Unit Reaction Definitions of the
Reactor unit.
Reactor data: These data include the reactor sizing parameters and
operating conditions.
Property data: These data include the thermophysical property data of
the pure components (e.g., molecular weight or critical pressure), and
the property data of the individual components and mixture at the
reaction conditions.
User data: These are the integer, real, and supplemental data provided
by the user via Enter Data when the procedure name is specified for
rate calculations for a Reactor unit.
Procedure data: These are the defined procedure variables entered
during the Procedure setup. Their values are DEFINEd in the same
window as the User data.

The supported language features are discussed below.

Elements of the Language

Each statement contains a maximum of 80 characters. An ampersand (&) at the


end of a line indicates continuation on the following line. Note that an asterisk(*)
is not valid as a continuation marker, since it signifies multiplication.

All lines of code except the CODE statement may be preceded by a unique
numeric label from 1 to 99999 (shown as nn in this manual).

A dollar sign ($) causes all following data on the line to be interpreted as a
comment rather than as code. Unlike in FORTRAN, a C in column 1 does not
designate a comment statement.

Predefined Variables

The following variable names are reserved. They are used to pass values
between the procedure and the unit operation that uses the procedure.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 281


The first tables list variables that provide input values to the procedure. They may
not appear on the left side of an assignment statement.

Procedure Data Predefined REAL Scalar Variables

Variable Name PFR CSTR Batch RxDist

REAL Scalar Variables - Supplied in standard problem dimensional units

Temperature RTEMP X X X X
Pressure RPRES X X X X
Total Molecular weight RMW X X X X
Vapor Phase RVMW X
Liquid Phase RLMW X
L1 Phase RL1MW X
L2 Phase RL2MW X
Specific gravity (60/60) RSPGR X X X X
Total Molar Rate RMRATE X X X X
Vapor Phase RVMRAT X
Liquid Phase RLMRAT X
L1 Phase RL1MRA X
L2 Phase RL2MRA X
Weight Rate RWRATE X X X X
Standard Volumetric Rate RSVRAT X X X
Actual Volumetric Rate RAVRAT X X X
Vapor Phase RVVRAT X
Liquid Phase RLVRAT X
L1 Phase RL1VRA X
L2 Phase RL2VRA X
Liquid Fraction RLFRAC X X X X
L1 Phase RL1FRA X
L2 Phase RL2FRA X
Vapor PhaseViscosity RVVISC X X X X

282 PRO/II USER GUIDE JUNE 2006


Liquid Phase Viscosity RLVISC X X X X
REAL Scalar Variables - Supplied in standard problem dimensional units
Vapor Phase Conductivity RVCOND X X X X
Liquid Phase Conductivity RLCOND X X X X
Vapor Phase Sp. heat RVCP X X X X
Liquid Phase Sp. heat RLCP X X X X
Surface tension RSURF X X X X
Absolute Temperature RTABS X X X X
Tube Diameter (fine length) TDIAM X
Tube Length TLEN X X
Cumulative Length CUMLEN X
Plug Flow Step Size (fine DELX X
length)
Total reactor volume (CSTR VOLUME X X X
& BATCH) or volume step
size of PLUGFLOW reactor
Vapor Phase Volume RVVOLU X
Liquid Phase Volume RLVOLU X
L1 Phase Volume RL1VOL X
L2 Phase Volume RL2VOL X
Gas Constant RGAS X X X X
1 Volumetric flowrates for CSTR and PLUGFLOW are calculated using bulk compositions
assuming the specified reactor phase, even if the phase is actually mixed. A warning is
printed if the actual phase is mixed.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 283


Procedure Data Predefined INTEGER Scalar Variables

Variable Name PFR CSTR Batch RxDist

Total # of components NOC X X X X


Total # of reactions NOR X X X X
Reaction phase IRPHAS X X X
Basis for Rate Calculation ICPFA X X X
0 = molar
1 = partial
pressure
2 = fugacity
3 = mole-gamma

Step # ISTEP X
Unit # for output file IOUT X X X X
Unit # for index file INDX X X X X
Maximum # of reactions MAXNOR X X X X

284 PRO/II USER GUIDE JUNE 2006


Procedure Data Predefined REAL Variable Arrays
Variable Name PFR CSTR Batch RxDist

Dimension : NOC

Total Molar Composition XTOTAL X X X X


Total Molar Concentration XCONC X X X
Vapor Phase XVCONC X
Liquid Phase XLCONC X
L1 Phase XL1CON X
L2 Phase XL2CON X
Vapor Phase Fugacity XVFUG X X X X
Liquid Phase Fugacity XLFUG X
L1 Phase XL1FUG X
L2 Phase XL2FUG X
Liquid Phase Activity XLACT X
L1 Phase XL1ACT X
L2 Phase XL2ACT X
Vapor phase Mole Fractions XVAP X X X X
Liquid phase Mole Fractions XLIQ X X X X
L1 Phase XLIQ1 X
L2 Phase XLIQ2 X
Vapor phase Mass Fractions XVMFRA X
Liquid phase Mass Fractions XLMFRA X
L1 Phase XL1MFR X
L2 Phase XL2MFR X
Dimension: 70 Real RDATA X X X X
numbers supplied on
RDATA statement
Dimension: 200 Real SUPPLE X X X X
numbers supplied on
SUPPLE statement
Dimension: NOR Activation ACTIVE X X X X
Energy* Pre-exponential PREEXP
factor Temperature TEXPON
X X X X
Exponent X X X X

Dimension: (NOC,NOR) STOICH X X X X


Stoichiometric factor ORDER
Reaction order
X X X X

* There is an important distinction between the values of activation energy for in line
procedures and calculations involving local reaction sets in distillation columns or reactors.
The values of activation energy supplied the reference reaction set (in RXDATA) or in the
local reaction sets are assumed to be in thousands of energy units per mole units, whereas,
in the case of procedures, the user-supplied value is used without the above assumption.
E.g., for the SI system, a value of ACTIV=123 kJ/kmol in the RXDATA or local rxnset is used
as 123,000 kJ/kmol in calculations. A procedure using the same variable, say ACTIV(1),
would calculate based on a value of 123 kJ/kmol.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 285


Procedure Data Predefined INTEGER Variable Arrays

Variable Name PFR CSTR Batch RxDist

Dimension: 10 Integer IDATA X X X X


supplied on IDATA
statement
Dimension: NOR Base IDBASE X X X X
Component
Basis for Rate Calculation ILBASI 1
X
for each reaction (liquid
phase)
0 = molar
1 = partial pressure
2 = fugacity
3 = mole-gamma
4 = mole fraction
5 = mass fraction
Basis for Rate Calculation IVBASI X1
for each reaction (vapor
phase)
0 = molar
1 = partial pressure
2 = fugacity
3= mole-gamma
4 = mole fraction
5 = mass fraction

Dimension: (NOC,NOR) IPHASE X


Phase of components in rxn
1 = Vapor
2 = Liquid

1
Available only for Boiling Pot CSTR

The following variables are the PROCEDURE block results available to PRO/II
after control is returned to the PLUGFLOW, CSTR or Reactive Distillation unit
operation. RRATES must be defined for all reactions.

286 PRO/II USER GUIDE JUNE 2006


PROCEDURE Results

Variable Name PFR CSTR Batch RxDist

Values of solution flag: X X X X


0 Default value. PRO/II
assumes the PROCEDURE
step has solved.
1 PROCEDURE solved.
2 PROCEDURE failed, but
continue calculations if in a
recycle or control loop.
3 PROCEDURE failed, stop
all flowsheet calculations.

Reaction rates for each RRATES(NOR) X X X X


reaction moles/ (liqvol*time)
1
for OPERATION PHASE=L
, B moles/(vapvol*time) for
1
OPERATION PHASE=V

2
Temperature derivatives for DRDT(NOR) X
each reaction
Composition derivatives for DRDX(NOC, X
2
each reaction NOR)

1 CSTR and PLUGFLOW should not be used when multiphase reactions are expected.
Except for Reactive Distillation and the CSTR boiling pot model, PRO/II assumes the phase
is 100% liquid or vapor as defined on the OPERATION statement.
2 The use of this is optional.

Procedure Data Programming Language

See the discussion of the Calculator module at the beginning of this chapter for a
survey of the proper use of Declaration Statements , Assignment Statements ,
Fortran Intrinsic Functions , PRO/II Intrinsic Functions, IF Statements ,
Calculation Flow Control Statements , and Calculation Termination Statements ).

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 287


Pump

General Information

The Pump may be used to compute the energy required to increase the pressure
of a process stream. This quantity of energy is added to the feed enthalpy to
determine the outlet temperature. Only one liquid phase is considered in the
calculations.

Feeds and Products

A pump operation may have multiple feed streams, in which case the inlet
pressure is assumed to be the lowest feed stream pressure. A single liquid
product stream is allowed from a pump.

Outlet Conditions

The Pressure Specification for a pump is selected with the appropriate radio
button on the Pump main data entry window as:
Outlet pressure
Pressure rise (P)
Pressure ratio based on the lowest feed stream pressure.

Pump Efficiency

A pumping efficiency in percent may be supplied in the data entry field provided
on the Pump main data entry window. This value is used for the work and outlet
temperature calculations. If not supplied, a default value of 100 percent is used.

Thermodynamic System

The thermodynamic system of methods to be used for pump calculations may be


selected by choosing a method from the Thermodynamic System drop-down list
box on the Pump main data entry window.

288 PRO/II USER GUIDE JUNE 2006


Reaction Data

General Information

Use the Reaction Data Sets data entry window to supply reaction stoichiometry,
heat of reaction, kinetic and equilibrium data, and to specify the base component
for each reaction. One or more reactions may be saved as separate reaction
data sets and used in all reactor types (conversion, equilibrium, Gibbs free
energy minimization, plug flow, CSTR, and boiling pot reactors). Multiple unit
operations can have common access to the same reaction data.

The PRO/II graphical user interface now supports multiple equilibrium


expressions for each Equilibrium Reactor.

Note: You may specify the base component of the reaction and provide heat of
reaction and equilibrium and kinetic data in the Reactor data entry window. For
conversion reactors, these data are considered to be local and are entered at the
unit operation level. See the Reactor section later in this chapter.

To access the Reaction Data window:

Click Reaction Data on the main toolbar.

Note: Any data entered in the Reaction Data window will be passed to the Unit
Reaction Definitions window (a subwindow of the main Reactor window) and
used as default values.

Specifying Reaction Sets

Provide a name and description for each reaction data set in the main Reaction
Data window. The name is required but the description is optional.

Note: You must define the component list in the Component Selection data entry
window before entering reaction data. This order is important because
components for each reaction must be selected from a previously-defined
component list .

To enter data for each newly-defined reaction data set, or to modify the
data for imported sets:

Click Enter Data for that set.

This opens the Reaction Definitions window for that set. Here, you may enter the
following information for the reaction data set:

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 289


Kinetic rate calculation method
The name of all reactions in the set (required)
The reaction stoichiometry (required)
The heat of reaction and the base component (required)
Equilibrium data (optional)
Kinetic data (optional).

To select the kinetic rate calculation method:

The kinetic rate can be calculated from PRO/IIs reaction rate subroutine based
on the power law rate expression, by an inline procedure or by the users kinetic
subroutine. The inline procedure must be first defined in the Procedure Data
section and selected from the Procedure Name drop-down list box. When a user-
added kinetic subroutine is used, it can be selected from the Subroutine Name
drop-down list box. The users added kinetic subroutine must be named as one
of the five USKIN1, USKIN2, USKIN3, USKIN4 and USKIN5 routines and linked
to PRO/II as described in the PRO/II UAS/PDTS Installation Guide.

To define the stoichiometry:

Define the reaction stoichiometry by clicking on the linked text Reactants =


Products in the Definition column to open the Reaction Components window.
Here, you may select the reactants and products for the reaction and supply the
stoichiometric coefficient for each. You may define the reaction based on the
chemical formula of the component (library components only), or based on the
name (for library, non-library, or petro components).

To define the heat of reaction:

You may define the heat of reaction for any selected reaction in a specific
reaction data set, in the Heat of Reaction Data window. This window appears
when you click H located beside the selected reaction on the Reaction
Definitions window. In this window, you may choose one of two options:

Calculated from Heat of Formation: This option allows PRO/II to calculate the
heat of reaction based on the heats of formation for the reaction components.
This is the default.

User-specified: You supply the heat of reaction (in units of energy/ weight). If
you do so, you may also optionally supply the reference temperature,
component, and reference reaction phase.

Note: You must supply heat of reaction data for non-library components that do
not have heat of formation data. You must also specify the base component for
the reaction.

290 PRO/II USER GUIDE JUNE 2006


To supply equilibrium data for a specific reaction in a reaction data
set:

Click E located beside the selected reaction in the Reaction Definitions


window. The Reaction Equilibrium Data window appears.
Click the Define Equilibrium Data check box to enter equilibrium data.

You may supply the following data in this window:

Equilibrium Coefficients: Up to 8 (A-H) coefficients for the equilibrium equation


(at least one coefficient must be supplied).

Units: Temperature, weight, volume and pressure units of measure for the
equilibrium data may be supplied by clicking on the linked (underlined) text in the
units box. (If you do not change the temperature units, the global units are used
by default).

Equilibrium Constant Expression: The default reaction phase, reaction activity


bases for both vapor and liquid phases, component reaction phases and
exponent orders can be entered here. Click Activity Exponent and Activity Phase
to specify the exponent order and activity phase for each component in the
reaction. The vapor activity basis is used for all components specified with vapor
phase activity phase while the liquid activity basis is used for all components
specified with liquid phase activity phase.

To supply kinetic data for a specific reaction in a reaction data set:

Click K located beside the selected reaction in the Reaction Definitions


window. The Reaction Kinetic Data window appears.
Click the Define Kinetic Data check box to enter kinetic data.

You may supply the following data in this window:

Pre-exponential Factor (A): The pre-exponential factor of the power law


kinetic rate equation for the reaction. The default is 1.0.

Activation Energy: The activation energy of the power law kinetic rate equation
for the reaction in units of energy/weight. A default of zero is used if a value is not
supplied.

Temperature Exponent: The temperature exponent of the power law kinetic rate
equation for the reaction. A default of zero is used if a value is not supplied.

Reaction Order and Activity Basis: The default reaction phase, reaction
activity bases for both vapor and liquid phases, component reaction phase and

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 291


kinetic orders that are used to define the kinetic rate expression can be entered
here. Click Reaction Order and Activity Phase to specify the kinetic reaction
order and activity phase for each component, which appeared in the rate
expression. The vapor activity basis is used with all components specified with
vapor activity phase while the liquid activity basis is used with all components
specified with liquid activity phase.

292 PRO/II USER GUIDE JUNE 2006


Reactor

General Information

The Reactor unit operation simulates the operation of many chemical reactors
including conversion reactors, equilibrium reactors, Gibbs (Free Energy
Minimization) reactors, Plug Flow Reactors (PFRs), Continuous Stirred Tank
Reactors (CSTRs), and Boiling Pot Reactors.

In addition to the above reactor types, PRO/II contains built-in Shift and
Methanation reaction data sets for either conversion or equilibrium reactors.

Feeds and Products

Each reactor may have one or more feed streams. A multiphase product from the
reactor may be separated into streams containing one or more phase. The
allowable product stream phases are vapor, liquid, decanted water and mixed
(vapor+liquid). A mixed phase product is not allowed with a vapor or a liquid
product. The decanted water product is also used as the second liquid product
phase with rigorous VLLE calculations.

If this is more than one product stream, the phases must be allocated to the
streams in the Product Phases window. Access this window by clicking Product
Phases on the main Reactor data entry window for the particular reactor type.

Reactor Type

For conversion, equilibrium, Gibbs, or plug flow reactors, select the reactor type
by choosing the appropriate reactor icon from the PFD palette. CSTR and boiling
pot reactors share the CST/Boiling Pot Reactors icon. Select the desired reactor
type from a drop-down list box on the main Reactor data entry window.

Reaction Set

For all reactor types other than the Gibbs reactor, you must select a reaction data
set from the Reaction Set Name drop-down list box (options include a built-in
reaction set, e.g., Shift reaction, or a user-defined set) on the Reactor main data
entry window. For the Gibbs reactor type, either no reaction data set may be
selected (option None), or a user-defined set may be specified. See the Reaction
Data section, earlier in this chapter, for more information on specifying reaction
data sets.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 293


Thermal Specifications

For most reactor types, the fixed operating temperature, the temperature rise
across the reactor, or the fixed reactor duty may be specified by using radio
buttons and entering values in the appropriate data fields. The available options
are:

Temperature Rise: This is the temperature increase across the reactor. This
option is available for conversion and equilibrium reactors only where it is the
default.

Combined Feed Temperature: The average temperature for all feed streams to
the reactor. This is available for plug flow and Gibbs reactors, and CSTRs only
where it is the default.

Fixed Temperature: You may specify the final reactor temperature for all reactor
types.

Fixed Duty: You may specify the reactor duty for all reactor types. A default
value of 0 will be used if a value is not specified. The following additional reactor
information may also be given via the main Reactor window:

External Heat: You may specify information on the external heating or cooling
source by selecting the External Heat option. This is for plug flow reactors only.
Click Enter Data and enter data in the External Heating/Cooling window.

Temperature Profile: You may enter the reactor temperature profile in tabular
form as a function of the actual reactor length, or as a function of percent or
fractional distance along the reactor. This is for plug flow reactors only.

Reactor Data

Click Reactor Data from the main Reactor data entry window to open the
Reactor Data window where you can supply reactor configuration information.

Conversion and Equilibrium Reactors

294 PRO/II USER GUIDE JUNE 2006


For these reactor types, you may choose an error handling option by clicking the
Stop calculations hypertext. The options are:

Stop Calculations: This stops calculations if an error occurs (e.g., for


negative component flows). This is the default.

Continue Calculations with no Reaction: Continue calculations with no


reaction if an error occurs.

Add Makeup of Limiting Reactant: Reduce conversion by adding a makeup of


the limiting reactant if an error occurs.

Reduce Conversion: Reduce conversion if an error occurs.

Continuous Stirred Tank Reactor

You must provide the reactor volume for CSTRs in the Reactor Data window.
Optionally, you may also provide estimates of the product flowrate.

Plug Flow Reactor

Enter the following data for PFRs in the Reactor Data window:

Reactor Length: The total length of the reactor. Data for this field is mandatory.

Tube Inside Diameter: The inside diameter of the PFR tubes. Data for this field
is mandatory.

Number of Tubes: The total number of tubes in the PFR. Default is 1.

Number of Points for Profile: The number of equidistant locations along the
reactor length for the temperature profile. Default is 10.

Integration Options: You may select one of four integration options:

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 295


Fixed step size Runge-Kutta method. The Runge-Kutta method with 20
steps is the default.
Runge-Kutta method with user-specified step size.
Gear integration method with user-specified gear tolerance (default
tolerance = 0.1%).
LSODA (Livermore Solver of Ordinary Differential Algebraic equations)
method with user-specified tolerance (default tolerance = 0.1%).

Enter the following data for PFRs in the Pressure window:

Select between the two options listed for Reactor Type

Open Pipe: Select this option, when the packing is not found in PFR.
Packed Pipe: Select this option, when the PFR is packed with catalyst
particles.

Select an appropriate option from the list to enter the pressure


specification

Inlet and Outlet Pressure


Pressure Profile
Pressure Drop Method
Packed Bed Pressure Drop

If you have selected Open Pipe under Reactor Type, the first three options
mentioned above will be made available to the user.

If you have selected Packed Pipe under Reactor Type, except Pressure Drop
Method all other options will be made available to the user.

Inlet and Outlet Pressure: Selecting this option will enable the Inlet and Outlet
section. User is prompted to enter data listed under the following section.

Inlet
Outlet

Pressure Profile: Selecting this option will enable the Enter Data button. Click
Enter Data to open the Pressure Profile dialog box. Select the appropriate
Location option from the drop-down list and start entering the data for Location
and Pressure.

Actual Tube Length


Percentage of Tube Length
Fraction of Tube Length

296 PRO/II USER GUIDE JUNE 2006


If you have selected Open Pipe in the Reactor Type section, Pressure Drop
Method will be made available for selection.

In case you have selected Packed Pipe in the Reactor Type section, Packed Bed
Pressure Drop will be made available for selection.

Pressure Drop Method: Selecting this option will enable the Enter Data button.
Click on it to open the Pressure Drop Method dialog box.

Pressure Drop Correlation: Select the appropriate pressure drop method listed
in the drop list.

Pressure Drop Correlation Significance


Beggs-Brill-Moody This is the default PRO/II method, and
is the recommended method for most
systems, especially single phase
systems.
Olimens Used for gas condensate systems,
which uses the Eaton correlation to
calculate liquid holdup and Moody
diagrams for friction factor.
Dukler-Eaton-Flanigan This hybrid correlation is for gas
condensate systems that are mainly
gas.

Gray Recommended for vertical gas


condensate systems. It should not be
used for horizontal lines.

Hagedorn-Brown This method is also recommended for


vertical pipelines, and should not be
used for horizontal pipes.

Mukherjee-Brill Used for gas condensate systems.


This method must be used with care
due to its discontinuities. Use at least
2 pipe segments to avoid failures due
to changing flow regimes.

Beggs-Brill-Moody-Palmer This method uses the same


correlations as above and also
includes the Palmer modification to
account for liquid holdup, based on
experimental data for uphill and
downhill lines.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 297


Convergence Tolerance : Supplies a relative convergence tolerance value for
the calculated pressure drop per reactor segment, between each successive
iteration. By default, PRO/II uses a one percent tolerance.

Flow Efficiency : This parameter is used for linear adjustment of the calculated
pressure drop to match actual conditions. For given flow conditions, decreasing
this value causes an increase in the calculated pressure drop. The value may be
greater than 100 percent. It is recommended that data for roughness or Moody
friction factor be provided for accurate calibration of results.

Moody Friction Factor : PRO/II usually calculates the friction factor from reactor
roughness and Reynolds number using the modified Colebrook-White equations.
You can supply a value for this field if desired.

Roughness : A roughness value can be supplied either in Absolute or Relative


units. By default, PRO/II supplies an absolute roughness of 0.0018 inch.

Acceleration Term : Check this option to include the acceleration pressure


gradient. Under certain high velocity or high pressure conditions, the Beggs and
Brill acceleration term becomes unrealistically large and dominates the equation.
Dropping the term often results in a better answer in these cases.

Packed Bed Pressure Drop : Selecting this option will enable the Enter Data
button. Click Enter Data to open the Packed Bed Pressure Drop Method dialog
box.

Pressure Drop Correlation : Select Ergun Equation to calculate the pressure


drop across the packed bed.

Diameter of Catalyst : Enter the diameter of the catalyst. Data for this field is
mandatory.

Void Fraction of the Packed Bed : Enter the Void fraction of the packed bed.
Data for this field is mandatory.

Under Shape Factor section, enter data for the shape of the catalyst. Select
either of the two options depending on the catalyst.

Sphericity : Enter the sphericity of the catalyst.

Shape of the Catalyst : Selecting this option will make the following option
available to the user. Select either of the two options.

298 PRO/II USER GUIDE JUNE 2006


Spherical
Cylindrical : If you have selected Cylindrical, enter the Length.

Boiling Pot Reactor

You may supply the following reactor calculation options for the boiling pot
reactor in the Reactor Data window:

Tolerances: The absolute temperature and relative mole fraction and enthalpy
tolerances for the reactor may be changed from their default values of 0.1, 10-5,
and 10-4 respectively.

Note: If the Fixed Duty option is specified on the main Reactor data entry
window, an estimate of the reactor temperature may optionally be provided in the
Reactor Data window. The minimum and maximum temperature defaults of
- 457.87 F and 4940.33 F may also be overridden.

Maximum Liquid Volume: If a fixed volume is not supplied on the main Reactor
window, you may supply a maximum liquid reactor volume in this window. A
default of 3531.5 ft3 will be used if a value is not provided.

Initial Volume Estimate: An initial volume estimate may optionally be supplied


in this window.

Component product rate estimates may also be supplied by clicking Product


Estimates on the Reactor Data window.

The number of Broyden trials before the Jacobian matrix is updated may be
specified along with the derivative step size multiplier by clicking on the
appropriate underlined linked text. The defaults are 3 trials and a step size
multiplier of 0.01.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 299


Gibbs Reactor

For the Gibbs reactor, the user may provide a number of optional calculation
options in the Reactor Data window:

Maximum Iterations: The maximum number of iterations allowed. The default is


50.

Convergence Tolerance: The relative convergence tolerance. The default is


10-4 for isothermal conditions and 10-6 for adiabatic conditions.

Fibonacci Tolerance: The convergence tolerance for the Fibonacci search


calculations. The default is 0.01.

In addition, you may specify the physical property evaluation method by clicking
on the underlined hypertext. The options are:

Evaluated at each step: The physical property values are reevaluated at each
step of the search. This is the default.

Used from previous iteration: The physical property values from the previous
iteration are used.

You may select the product rate estimate option by clicking on the underlined
linked text. The available options are:

PRO/II default: The default generates an initial estimate of the product rates
using the PRO/II method.

Average of all feeds: This uses the average of all feed rates to generate an
initial product rate estimate.

Supplied reacting component rates: This option uses the values given for the
reacting component estimated rates. Supply reacting components and estimated
rates in the Reacting Components window, which is reached by clicking Reacting
Components and Estimates on the Reactor Data window.

The options to specify the parameters for the free energy minimization phase
calculations are found in the Phase Split Parameters window. This opens by
clicking Phase Split Parameters on the Reactor Data window.

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Note: The Phase Split Parameters window is available only if the Reactor
Operation Phase is specified as Calculated on the Unit Reaction
Definitions window. See below for Unit Reaction Definitions.

Specfying Reactions: The number of chemical reactions (i.e., the number of


REACTION statements) must equal the number of chemical species minus the
number of effective atoms. Usually, the number of effective atoms is the number
of atomic species.
The number of effective atoms differs from the number of atomic species when
two or more atoms always occur together in the same proportion. For example,
consider the chlorination of ethylene:

Keq
C2H 4 + Cl 2 C2H 4 + Cl 2

There are 3 atomic species (C, H, Cl), but C and H always occur in a 1:2 ratio.
Therefore, the number of effective atoms is 2 (Cl and CH2). These two effective
atoms represent the three chemical species, so only one chemical reaction is
allowed.

The options available on the Phase Split Parameters window are:

Initial Phase Estimate: This entry is the phase used for the initial reactor
calculations. The user may select the vapor, liquid, vaporliquid, liquidliquid,or
vaporliquidliquid phase. The default is vaporliquid.

First Phase Evaluation at Iteration: Specify the first iteration where the phase
will be reevaluated. The phase should not be evaluated too early because the
reaction results may still be far from the final solution. The default is 6.

Phase Evaluation Frequency: Specify the number of iterations between phase


evaluations. The default is 4.

Minimum Phase Tolerance: When the molar ratio of a phase to the total
quantity of material is less than this value, the phase is considered as non-
existent. The default is 10-6 .

Atomic groups can be provided in the Atomic Groups window. This window can
be reached by clicking the User-specified Atomic Groups button on the
Reactor Data window.

Unit Reaction Definitions

The reaction phase, heat of reaction, equilibrium data, and kinetic data for the
reactor may be entered in the Unit Reaction Definitions window. Bring up this
window by clicking Unit Reaction Definitions on the main Reactor window.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 301


Note: Any data previously entered in the Reaction Data Category window will be
transferred to the Unit Reaction Definitions window and used as default values.
You can overwrite the data for a particular reactor in the Unit Reactions
Definitions window for that reactor.

Equilibrium Reactor

You may supply the operation phase of the reactor in the Unit Reaction
Definitions window. By clicking Equilibrium Data in this window, you gain
access to the fields where you may supply the following:

Equilibrium Coefficients: Eight coefficients (A-H) of the equilibrium equation.

Units: The temperature, weight, volume and pressure units of measure for the
equilibrium equation can be changed by clicking on the underlined linked text.
Options are restricted to R or K for the temperature units.

Conversion Reactor

You may overwrite the stoichiometric coefficients for the first reaction in the
selected reaction set by clicking the Define the Stoichiometry for the First
Reaction check box. The values of stoichiometric coefficients are to be
determined from the calculation results of the selected Calculator unit.
Frequently, this feature is applied to use a single reaction to represent the overall
reaction behavior in the reactor and, therefore, there is only a single reaction
defined in the entire reaction set. The stoichiometric data displayed in the grid
box are merely used to echo the reaction equation previously defined in the
Reaction Data section.

Continuously Stirred Tank Reactor and Boiling Pot Reactor

You may supply the reactor operation phase, reaction activity basis and kinetic
rate calculation method in the CSTR Unit Reaction Definitions window.

Reactor Operation Phase: The options are vapor or liquid phase for the
CSTR, but restricted to liquid phase for the BPR.

Reaction Activity Basis: For vapor phase, the options are Molar Concentration,
Partial Pressure or Fugacity. For liquid phase, the options are Molar
Concentration, Fugacity or Activity. Currently, only homogeneous reaction rate
expressions based on either vapor or liquid phase reactions are allowed for the
CSTR. For BPRs, heterogeneous reaction rate expressions are allowed.

Kinetic Rate Calculation Method: The options are Power Law, User Added
Subroutine or Kinetic Procedure. If the default is used, the reation rates are

302 PRO/II USER GUIDE JUNE 2006


computed by power law kinetics in the form of the general Arrhenius equation.
For any of these methods, kinetic data can be entered through the Kinetic Data
button.

Power Law: The default method.

User-added Kinetic Subroutine: This option directs the CSTR module to use a
User-added Subroutine (UAS) written in FORTRAN to perform reaction rate
calculations. Specify a Subroutine Name in the Unit Kinetic Data window. The
identifiying arguments for the subroutine name U1, U2 U5 correspond to
user-added subroutines USKIN1 USKIN5 respectively. After selecting the
user-added kinetic subroutine, you can enter local values (i.e., specific just to this
reactor) for variables to be used for the rate calculation. Use the upper left table
to supply local values for an array of real variables, the lower left table for any
array of integer variables and the upper right for an additional (Supplemental)
array of real variables. These local data, kinetic reaction data specified in the
selected reaction set, and thermophysical property data of the reaction mixture
will be provided to the selected kinetic subroutine for reaction rate calculations.
Refer to the PRO/II User-added Sub-routine Users Manual for instructions on
creating and installing UASs.

Kinetic Procedure: This option directs the CSTR module to use a user-supplied
in line kinetic Procedure to perform reaction rate calculations. After selecting the
name of the Procedure (which must be first defined in the Procedure Data
section), you can enter values for local variables similar to the procedure for the
User Added Kinetic Subroutine mentioned above. Additionally, you may provide
the values for those procedure variables (PDATA) used by the selected
Procedure.

Plug Flow Reactor

Data that may be specified for the Plug Flow Reactor are the same as those
described above for the CSTR.

Pre-exponential Factor: The pre-exponential factor for the kinetic power law rate
equation. The default is 1.

Activation Energy: The activation energy for the kinetic power law rate
equation. The default is 0.

Temperature Exponent: The temperature exponent for the kinetic power law
rate equation. The default is 0.

Base Component: A base component must be supplied for the kinetic reaction
rate report.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 303


Reaction Order and Activity Basis: As is done in the Reaction Data section on
a global basis, the default reaction phase, reaction activity bases for both vapor
and liquid phases, component reaction phase and kinetic orders that are used to
define the kinetic rate expression can be entered here as local data for this
reactor. Click Reaction Order and Activity Phase to specify the kinetic reaction
order and activity phase for each component which appears in the rate
expression. The vapor activity basis is used for all components specified with
vapor activity phase while the liquid activity basis is used for all components
specified with liquid activity phase.

Gibbs Reactor

You may specify the phase of the reactor operation in the Unit Reaction
Definitions window. The reaction phase options are Calculated (default), Vapor,
Liquid, VaporLiquid, LiquidLiquid or VaporLiquidLiquid. If Calculated is
selected, PRO/II will determine the phase as part of the free energy minimization
calculation. If a phase is selected, the calculations wil be based on the selected
phase.

Extent of Reaction

To specify the extent of the reaction for a conversion, equilibrium and Gibbs reactors only.
Click Extent of Reaction on the main Reactor data entry window to open the Extent of
Reaction window.

Conversion Reactor

You may select the base component from which the conversion data were
determined. If the base component is not selected (select none), the
stoichiometric coefficients of the reaction will be taken as the absolute moles
reacted. You may supply constants for the second order temperature-dependent
fractional conversion equation in this window. Default values for the constants
are given in the table. Click on the underlined linked text to change the
temperature units of measure for the conversion reaction. If the temperature units
of measure are not specified locally, the problem temperature units are used.

Equilibrium Reactor

The base component for user-supplied reactions must be specified in the Extent
of Reaction window. You may access this window via the Reaction Set window,
which contains a list of the reactions that have earlier been defined for the
flowsheet. Upon choosing the desired equation, the Extent of Reaction window
appears. (The base components of built-in reactions such as Shift and
Methanation are predetermined and need not be supplied by the user.)

304 PRO/II USER GUIDE JUNE 2006


You may specify the approach to conversion either as a temperature or a
fractional approach. As was the case with the Conversion reactor, you may
supply constants for the second order temperature-dependent fractional
conversion equation in this window. Default values for the constants are given in
the table. Click on the underlined linked text to change the temperature units of
measure for the conversion reaction. If the temperature units of measure are not
specified locally, the problem temperature units are used.

Gibbs Reactor

The extent of reaction can be provided on a global basis in the Extent of


Reaction window (as a component percent converted, or as a component
product rate). The extent of reaction can also be specified for each individual
reaction as a temperature approach or a base component product rate.

Amount of Catalyst

For boiling pot reactors only, you can specify the amount of a nonvolatile catalyst
componenton a weight or molar fraction, or total weight or mole basis in the
Catalytic Components window (which may be reached by clicking Catalysts on
the Reactor Data window). Before the button becomes active, the following
conditions must be met:
You must specify the catalytic component with a reaction
stoichiometry of 0. (Input/Reaction Data(Enter Data)/ Reaction
Definitions(Definition)/ Reaction Components). See the previous section
on Reaction Data for more information on defining reaction data sets.
You must specify the reaction order for the catalytic component as
any number other than 0 in the Reaction Order & Activity Phase
window. This window may be accessed by clicking on the like-named
button located on the Unit Reaction Definitions/Unit Kinetic Data window
for the boiling pot reactor, or by the following path: Input/Reaction
Data(Enter Data)/Reaction Definitions/(K)/Kinetic Reaction
Data(Reaction Order & Activity Phase).

Pressure

For conversion, equilibrium, Gibbs reactors and CSTRs, click Pressure on the
main Reactor window to enter the following reactor pressure options in the
Pressure data entry window:

Pressure Drop: The pressure drop across the reactor. This defaults to 0 if not
supplied.

Outlet Pressure: The pressure at the reactor outlet.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 305


For the plug flow reactor, either the inlet and outlet pressure or a pressure profile
along the reactor length (actual length, or percent or fraction of tube length) may
be entered on the Pressure window:

Inlet: Either the pressure drop below feed (the default is 0 psi), or the inlet
pressure may be supplied.

Outlet: Either the pressure drop below inlet (the default is 0 psi), or the outlet
pressure may be supplied.

Print Options

For all reactor types, excepting the Gibbs reactor, the following print option is
available through the Print Options window:

Print Calculation Path for Enthalpy Balance: This option prints the calculation
path for the heat of reaction calculation.

Thermodynamic System

The thermodynamic system of methods for the reactor calculations may be


selected by choosing a method from the Thermodynamic System drop-down list
box on the main Reactor window.

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Reactor, Batch

General Information

The Batch Reactor unit operation models material production as a result of


simultaneous and/or sequential reactions in the liquid contents of a reactor
vessel. Phase equilibrium analysis during the reaction allows for the tracking or
removal of vapor phase products. The Batch Reactor may be run in a true batch
simulation mode, with the reactants charged to the reactor vessel prior to the
onset of reactions, and product taken from the vessel at the end of reaction
process, or in a semi-batch mode where reactants may be introduced throughout
the reaction process. Batch reactor calculations may also be integrated into a
steady-state process simulation. The unit configuration automatically considers
the presence of holding tanks for steady flow streams to provide the time-variant
reactants to the batch unit. Implicit holding tanks are also considered for the
product streams to provide a coupling of the time-variant process to the
continuous process simulation environment. A representation of the product
steady flow stream comes from an overall process time average of the quantity
accumulated into a given product.

Currently, the Batch Reactor supports only liquid-phase reactions. A reaction


may produce one or more vapor constituents. Whether the vapor constituent(s)
will return to the liquid phase and again be available for reaction(s) will be
determined by equilibrium analysis done at the end of each time step.

Thermodynamic System

The thermodynamic system for the unit is selected by using the Thermodynamic
System drop-down list box in the Batch Reactor dialog box. Batch Reactor also
allows the use of electrolyte thermodynamic methods.

Detailed Information

For detailed information about the use of the Batch Reactor unit operation,
consult the PRO/II Add-On Modules Users Guide.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 307


Solid Separator

General Information

The Solid Separator unit models the separation of solid phase material from a
mixture of feed streams. The unit operates adiabatically at the lowest of the
individual feed stream pressures.

Feed and Product Streams

The solid separator unit can have up to ten (10) feed streams. The inlet thermal
condition is determined by an adiabatic flash calculation at the lowest feed
stream pressure.

The solid separator requires both overhead and bottoms product streams.

Calculation Method

The solid separator provides the option of specifying the fraction of the solid
components in the total feed that is removed in the bottoms stream. The default
fraction of the solid components removed in the bottoms stream is 1.00. An
adiabatic flash calculation is used to determine the product phases and the outlet
temperature based upon the thermal condition of the combined feed.

The solid separator unit supports both VLE (two phase) and VLLE (three phase)
calculations to determine the individual phase compositions. See the online
Technical Information discussion entitled VLE Model and VLLE Model for more
details. To access the main data entry window for VLE and VLLE calculations,
select Tools/Binary VLE from the menu bar.

308 PRO/II USER GUIDE JUNE 2006


Splitter

General Information

This unit may be used to split a single feed or mixture of feeds into two or more
products of identical composition and phase condition. The outlet stream
pressure may be specified, if desired, and an adiabatic flash used to determine
the outlet temperature and phase. A choice of options is provided for splits in
which insufficient feed is available to meet the specified product rates.

Feeds and Products

A splitter may have multiple feed streams. The lowest feed pressure is used for
the pressure of the combined feed.

A splitter must have two or more product streams. All product streams have
identical compositions and phase conditions. Phase separation of product
streams is not available in this unit, and, if desired, a Flash unit operation must
be used for this purpose.

Product Rate Specifications

For a splitter with N product streams, N-1 product stream rates must be
specified. Product rate specifications are supplied by clicking on the underlined
hypertext strings in the Product Rate Specifications section of the Splitter main
data entry window. All of the splitter product streams are listed and any one may
be used for the unspecified rate.

Specifications use the general specification format and are further described in
the SPEC/VARY/DEFINE section of this chapter. Only specifications that are rate
dependent are allowed, e.g., stream or component(s) rate total, stream or
component(s) recovery, stream enthalpy, etc.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 309


Outlet Pressure Specification

The outlet pressure for the splitter products may be changed by applying a
pressure drop to the lowest feed pressure. This value is supplied in the Pressure
Specification window, which is accessed by clicking Pressure Specification on
the Splitter main data entry window.

When a pressure drop is supplied, the resulting outlet temperature and phase
condition are determined by an adiabatic flash calculation from the composite
feed inlet conditions.

Inadequate Feed Rate Options

There are two options for situations in which insufficient feed is available to
satisfy all product stream rate specifications. They may be selected by radio
buttons on the Splitter main data entry window:

Satisfy Each Specification in Order Until Feed is Exhausted: Each


specification is satisfied in the order of the products until the feed is exhausted.
The product stream that encounters insufficient feed is limited to the feed
available and the remaining products are assigned zero rates. (This is the default
option.)

Satisfy Each Specification and Normalize Flowrates if Needed: All specified


product rate specifications are satisfied and the resultant rates are normalized to
the total feed rate. The product with the unspecified rate is assigned a zero flow.

The order of the product streams in the list box may be changed, if desired, by
clicking Change Stream Specification Order on the Splitter main data entry
window. You can reset a stream specification by clicking Reset Stream
Specification on the Splitter main data entry window.

Thermodynamic System

The thermodynamic system of methods to be used for splitter calculations may


be selected by choosing a method from the Thermodynamic System drop-down
list box on the Splitter main data entry window.

310 PRO/II USER GUIDE JUNE 2006


Stream Calculator

General Information

The Stream Calculator unit blends any number of feed streams and splits them
into two product streams with defined compositions and thermal condition. It may
also be used to create a pseudoproduct stream based on the blended feeds or
by defining the amount of each component in the stream.

Feeds and Products

The stream calculator may have any number of feed streams. Scale factors
(positive or negative) may be applied to all feeds in the Feed Scaling window in
order to create a mixed feed with the desired composition. If scale factors other
than 1.0 are used, the unit will not material balance. Multiple feed streams are
flashed at the lowest feed stream pressure.

For stream splitting, both the overhead and bottoms product are required. In
order to create a stream, a pseudoproduct must be defined. The feeds may be
split and a pseudoproduct created in the same stream calculator unit. If there is
no feed to the unit, only a pseudoproduct may be specified.

A multiphase product from the stream calculator may be separated into streams
containing one or more phase. The allowable product stream phases are vapor,
liquid, decanted water and mixed (vapor+liquid). A mixed phase product is not
allowed with a vapor or a liquid product. The decanted water product is also used
as the second liquid product phase with rigorous VLLE calculations.

If any product, overheads or bottoms, has more than one stream attached, the
phases must be allocated to the streams in the Product Phases window, which is
accessed by clicking Product Phases in the overhead or bottoms product
windows.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 311


Mode of Operation

The mode of operation is specified by the number of feeds and products attached
to the unit so it is important to connect the streams correctly before entering the
unit data.

Stream Splitting

In order to define the component splits, specifications must be entered in the


Product Specifications window to define how much of each component goes into
either the overhead or the bottoms product. Specifications may be on single
components or on ranges of contiguous components. Several specifications may
be required and some may specify the amount of components in the overhead
and others the amount in the bottoms product. Each component must appear in
one, and only one, specification. The component rates, recovery or composition
in a product may be specified.

The thermal condition of the products may optionally be defined in the Overhead
Product Conditions window and the Bottoms Product Conditions window.
Pressure defaults to the lowest feed pressure. If no temperature specification is
supplied for either product, the product temperatures are set equal at a value
calculated from the enthalpy balance, using the duty entered on the Stream
Calculator window. If one temperature is supplied, the other temperature is
calculated to meet the enthalpy balance. If both temperatures are given, duty is
calculated.

Temperature specifications may be a temperature value, the temperature rise


above the feed, dew or bubble point or an approach to dew or bubble point.

Stream Creation

In order to define the pseudoproduct, specifications must be entered in the


Pseudoproduct Specifications window to define how much of each component is
in the product. Specifications may be on single components or on ranges of
contiguous components and several specifications may be required. At least one
specification must be defined. Any component which does not appear in a
specification will be set to zero in the pseudoproduct. If the unit has feeds,
component rates, recovery or composition in the product may be specified,
Otherwise, the component rates must be defined.

If there is no feed to the unit, pseudoproduct thermal condition must be defined in


the Pseudoproduct Conditions window. If there is a feed, the temperature and
pressure specifications are optional. The pressure defaults to lowest feed
pressure and the temperature is calculated to satisfy the enthalpy balance. If a
duty is supplied, it will be used only for the stream splitting enthalpy balance.
Duty is not used for the pseudoproduct enthalpy balance.

312 PRO/II USER GUIDE JUNE 2006


Temperature specifications may be a temperature value, the temperature rise
above the feed, dew or bubble point or an approach to dew or bubble point. If
there is no feed, the temperature rise specification cannot be used.

Negative Component Rates

It is possible to specify the unit such that negative component rates are
calculated in a product stream. The appropriate action if this happens is selected
from:
reset any negative rates to zero (this is the default)
reset the rates to their absolute value
the unit should fail.

Thermodynamic System

The thermodynamic system of methods to be used for the stream Calculator may
be selected by choosing a method from the Thermodynamic System drop-down
list box on the Stream Calculator main data entry window.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 313


SPEC/VARY/DEFINE

General Information

PRO/II has an extensive system of cross-referencing for flowsheet parameters.


Flowsheet parameters include operating conditions for unit operations, calculated
results from unit operations, and stream flows, compositions, and properties. For
example, the supplied outlet pressure for a Pump, the calculated temperature for
a dew point Flash, and the simulated D86 ninety-five percent distilled
temperature for a Column product stream are all flowsheet parameters.

Most unit operation parameters may be either DEFINEd or SPECified relative to


any other flowsheet parameter in the problem. Some unit operations may VARY
a flowsheet parameter that would ordinarily remain constant at the input value.
The table below summarizes the methods for cross-referencing flowsheet
parameters:

SPEC: A unit operation or stream performance specification (calculated result)


must meet a desired value, either on an absolute basis or relative basis.

VARY: A unit operation or stream flowsheet parameter is varied from the


supplied value.

DEFINE: A unit operation parameter is defined by cross-reference to another


flowsheet parameter.

PRO/II uses a common format for the SPECification, VARY, and DEFINE
features. Each feature is discussed separately below. Tables are also presented
with cross-reference availabilities of the flowsheet parameters for streams and
the unit operations.

SPECifications

By definition, a SPECification must always be a calculated flowsheet result. The


following unit operations use the generalized SPEC format to define the
performance of the unit: Flash, Splitter, Column/Side Column, and Controller.

A SPEC has the following general form:

Parameter = value within the default tolerance

A choice for the Parameter and a numeric entry for the value must be supplied by
clicking on the underlined hypertext strings to gain access to the pertinent data
entry fields. Optionally, the tolerance basis may be changed from the default to
absolute or relative and the default tolerance value of 0.02 replaced by direct
entry.

314 PRO/II USER GUIDE JUNE 2006


Click on the Parameter hypertext to access the Parameter window.
Choose the Stream or Unit from the drop-down list box.
Select the unit or stream name in the drop-down list box.
Finally, click on the Parameter hypertext and select the desired
parameter from the window that is displayed. Note that only those unit or
stream parameters that are valid for use as a SPEC are available.

If the SPEC is not related to another flowsheet parameter:

Click OK to return to the unit specification.


Click on the value hypertext, and enter the desired numeric value for the
SPEC.

To create a mathematical expression for the SPEC:

Select the = sign linked text and select an option from the pop-up
window. Choices are as follows:

No Operator
Primary parameter only (the default)

+ Operator
Primary parameter plus reference parameter
(SUM)

- Operator
Primary parameter minus reference parameter
(DIFFERENCE)

/ Operator
Primary parameter divided by reference parameter (RATIO)

x Operator
Primary parameter times reference parameter (TIMES)

Select the Reference Parameter and click on the Parameter text string,
and select the desired reference parameter from the list which is
displayed.

Note: Only those unit or stream parameters which are valid for a specification
are available.

Click OK to return to the unit specification window; then click on the


value linked text string to enter the desired numeric value for the SPEC.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 315


The following examples illustrate the use of SPECs:

Example 1: Reid Vapor Pressure of stream S103 = 6.0

Unit or stream parameter = a value within a relative tolerance of 0.02


| |
| [6.0]
Specification
Unit/Stream Stream Name {Parameter Window}
[Stream] [S103]
Parameter
[Vapor Pressure]

Example 2: Duty of exchanger X103/ Duty of exchanger X104 = 1.0


+ 0.001

Unit or stream parameter = a value within a relative tolerance of 0.02


| | | |
| [1.0] [absolute] [0.001]
Specification
Unit/Stream Unit Name {Parameter Window}
[Heat Exchanger] [X103]
Parameter
[Duty]
Reference: [/ Parameter =]
Reference Parameter
Unit/Stream Unit Name {Parameter Window}
[Heat Exchanger] [X104]
Parameter
[Duty]

Note: [ ]denotes user input.

VARYs

For each SPEC in a flowsheet, there must be one VARY or degree of freedom.
The VARY for the Flash unit is implicitly defined, i.e., not defined explicitly by the
user. For Flash units with specifications, the degree of freedom is the
temperature when the pressure or pressure drop is given and the pressure when
the temperature is supplied. Other unit Operations which have VARYs are the
Column/Side Column and the Controller. A VARY is always a flowsheet
parameter that has a fixed versus calculated value in the flowsheet.

316 PRO/II USER GUIDE JUNE 2006


For Columns/Side Columns a VARY may be a feed stream rate, product draw
rate, or a heat duty. For example, the lean oil feed rate to a column may be
defined as a VARY in order to meet a specification on the propane recovery for
the column. Ordinarily, the lean oil feed rate would have a fixed or constant rate
in the flowsheet.

Controllers have VARYs that are associated with other unit operations. For
example, the supplied outlet pressure for a Compressor may be a VARY for a
Controller. Note that this flowsheet parameter would ordinarily have a fixed or
constant value in the flowsheet. On the other hand, the calculated temperature
for a dew point Flash unit could not be used as a VARY, since this is a flowsheet
parameter that is determined by the flowsheet calculations.

A VARY has the following general form:

Vary Parameter

To enter a parameter:

Click on the underlined hypertext string to access the Variable window.


From this window, select the type of vary, i.e., stream or unit type, in the
drop-down list box.
Next, select the unit or stream name in the adjacent drop-down list box.
Finally, click on the Parameter hypertext string and select the desired
parameter to be varied from the list.

Note: Only those unit or stream parameters which are valid for use as a VARY
are available.

The following example illustrates the use of VARYs:

Example 3: The temperature for isothermal flash unit D101 is varied by a


Controller.

Vary unit or stream parameter |


|
Specification
Unit/Stream Unit Name {Variable Window}
[Flash] [D101]
Parameter
[Temperature]

Note: [ ]denotes user input.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 317


DEFINE

The DEFINE is used to dynamically define the value for a flowsheet parameter
that ordinarily has a fixed versus calculated value in the flowsheet. Thus, the
value for a unit operating condition may be set to a value that is based on a
calculated flowsheet parameter. For example, the DEFINE may be used to set
the temperature for an isothermal Flash to the temperature that is calculated for a
Compressor outlet stream plus 10 degrees. This concept greatly enhances the
flowsheeting capability of PRO/II, and, in fact, nearly every unit operation input
parameter may be DEFINEd in PRO/II.

To define a flowsheet parameter:

Select the parameter in the appropriate window for the unit operation. At
this point, the Define button on the toolbar is activated if the parameter
may be DEFINEd. Click Define to access the Definition window.
From this window, select the check box to enable the DEFINE options.
Click on the Parameter text string and select the desired parameter from
the window which is displayed.

Note: Only those unit or stream parameters which are valid for use as a DEFINE
are available.

If the DEFINE is not related to another flowsheet parameter click OK to


return to the unit window. If the DEFINE is related to another flowsheet
parameter, establish the appropriate mathematical relationship.
Mathematical expressions for a DEFINE are created in a manner
completely analogous to that described above on page 309 for a SPEC.
Select the reference parameter type in the same manner as used to
select the primary parameter.
Click the OK button in the child windows to return to the unit operation
window.

For a constant:

Select Constant from the Constant/Stream/Unit drop-down list box in the


Parameter window.
Enter a numerical constant in the supplied data entry field.
The following example illustrates the use of a DEFINE:

Example 4: DEFINE the temperature for Flash drum D103 to be the


temperature of stream S104 minus 15 degrees.

[Select the temperature field on the Flash Second Specification]


[Click Define from the Toolbar]
[Select the check box to set up the Define]

318 PRO/II USER GUIDE JUNE 2006


|
Primary Parameter:
Unit/Stream/Constant Unit Name {Definition Window}
[Stream] [S104]
Parameter
[Temperature]
Reference: [= Parameter - Parameter]
Reference Parameter:
Unit/Stream/Constant Value
[Constant] [15.0]

Note that the DEFINE is nearly identical in structure to the SPEC.

Stream Parameters Available for Cross-referencing


SPECS DEFINE1 VARY2
Parameter Flash Splitter Column Controller All Units Controller

Temperature Yes - Yes Yes Yes Yes


Pressure Yes - Yes Yes Yes Yes
Enthalpy Yes - Yes Yes Yes -
Mole Weight Yes - Yes Yes Yes -
Total Flow Yes Yes Yes Yes Yes Yes
Component Yes Yes Yes Yes Yes -
Flow
Composition Yes - Yes Yes Yes -
Phase Fraction Yes - Yes Yes -
Density/Volume Yes - Yes Yes Yes -
Distillation Yes - Yes Yes Yes -
Curve
Vapor Pressure Yes - Yes Yes Yes -
Transport Yes - Yes Yes Yes -
Property
Refining Yes - Yes Yes Yes -
Property
Special User Yes - Yes Yes Yes -
Property
1 In general, any applicable stream property may be used to define a unit operating condition.
Note that not all stream properties are applicable to all unit operating conditions.
2 With the exception of the Column, only the Controller may vary stream parameters. The
Column may vary the total flow of a feed strean.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 319


Unit Parameters Available for Cross-referencing

Within Operation External Controllers

Unit Parameter SPEC VARY DEFINE Reference1 SPEC VARY

Calculator

Result - Yes Yes Yes Yes Yes


Parameter - Yes Yes
Stream Calculator

Temperature - Yes Yes - Yes Yes


- Yes Yes - Yes Yes
Pressure - Yes Yes - Yes Yes
Delta T - Yes Yes - Yes Yes
Temp. Below - Yes Yes - Yes Yes
Bubble Pt.
Temp. Above - Yes Yes - Yes Yes
Dew Pt.
Delta P - Yes Yes - Yes Yes
Feed Cofactor - Yes Yes - Yes Yes
Duty - Yes Yes Yes Yes Yes
Frac. Overhead - Yes Yes - Yes Yes
Frac. Bottoms - Yes Yes - Yes Yes
Frac. Product - Yes Yes - Yes Yes
Overheat Rate - Yes Yes - Yes Yes
Bottoms Rate - Yes Yes - Yes Yes
Product Rate - Yes Yes - Yes Yes
Comp. - Yes Yes - Yes Yes
Overhead
Comp. Bottoms - Yes Yes - Yes Yes
Comp. Product - Yes Yes - Yes Yes
Controller

Specification Yes Yes Yes Yes Yes

MVC

Specification Yes Yes Yes Yes Yes

Optimizer

Specification Yes Yes Yes Yes Yes

Constraint Yes Yes Yes Yes Yes

320 PRO/II USER GUIDE JUNE 2006


Column

Reflux Yes Yes Yes Yes Yes Yes


Reflux Ratio Yes Yes Yes Yes Yes Yes
Duty Yes Yes Yes Yes Yes Yes
Feed Rate - Yes Yes Yes Yes
Draw Rate - Yes Yes Yes Yes
Specification - - Yes Yes Yes
Percent of Flood - - Yes Yes Yes Yes
Max % of Flood - - Yes Yes Yes Yes
Downcomer B/U - - Yes Yes Yes Yes
Max D.C. B/U - - Yes Yes Yes Yes
CS Approach - - Yes Yes Yes

Flood Approach - - Yes Yes Yes


Tray Diameter - - Yes Yes Yes Yes
Max Tray Diam. - - Yes Yes Yes Yes
Condenser Pres - - Yes Yes Yes
Top Tray Pres - - Yes Yes Yes
Tray Delta P - - Yes Yes Yes
Column Delta P - - Yes Yes Yes
Tray Temp - - Yes Yes Yes Yes
Feed Tray No - - Yes Yes Yes Yes
Draw Tray No - - Yes Yes Yes Yes
Duty Tray No - - Yes Yes Yes Yes
Tray Effy Factor - - Yes Yes Yes Yes
P/A Rate - - Yes Yes Yes
P/A Return T - - Yes Yes Yes
Product Moles - - Yes Yes Yes
Thermosiphon Reboiler

Circulation Rate - - Yes Yes Yes Yes


Vapor Fraction - - Yes Yes Yes Yes
Liquid Fraction - - Yes Yes Yes Yes
Outlet Temp - - Yes Yes Yes Yes
Delta T - - Yes Yes Yes Yes
LLEX

Specification - - Yes Yes


Top Tray Pres - - Yes Yes
Feed Rate - Yes Yes Yes
Draw Rate - Yes Yes Yes
Duty - Yes Yes Yes
Pump

Temperature - - Yes Yes

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 321


Outlet Pres - - Yes Yes Yes Yes
Delta P - - Yes Yes Yes Yes
Pres. ratio - - Yes Yes Yes Yes
Work - - Yes Yes
Head - - Yes Yes
Efficiency - - Yes Yes
Pipe

Diameter - - Yes Yes Yes Yes

Max velocity - - Yes Yes Yes Yes


Average velocity - - Yes Yes Yes
Delta P - - Yes Yes Yes
Duty - - Yes Yes Yes Yes
Rel Roughness - - Yes Yes Yes
Abs Roughness - - Yes Yes Yes
Friction Factor - - Yes Yes Yes
Flow Efficiency - - Yes Yes Yes
Length - - Yes Yes Yes
Heat Transfer - - Yes Yes Yes
Coeff.
Ambient Temp - - Yes
Delta P Max - - Yes
K-Factor - - Yes Yes
Simple Exchanger

Duty - - Yes Yes Yes Yes


Cold Delta P - - Yes Yes Yes Yes
Cold T Out - - Yes Yes Yes Yes
Cold Liq Fr - - Yes Yes Yes
Cold Subcool - - Yes Yes Yes
Cold Supheat - - Yes Yes Yes
Hot Delta P - - Yes Yes Yes Yes
Hot T Out - - Yes Yes Yes
Hot Liq Fr - - Yes Yes
Hot Subcool - - Yes Yes
Hot Supheat - - Yes Yes
LMTD - - Yes Yes
Zoned LMTD - - Yes Yes
Overall U - - Yes Yes Yes Yes
Area - - Yes Yes Yes Yes
U * Area - - Yes Yes Yes Yes
Ft Factor - - Yes Yes Yes Yes
Approach - - Yes Yes Yes Yes
MITA (Pinch) - - Yes Yes

322 PRO/II USER GUIDE JUNE 2006


Min. Approach - - Yes Yes Yes Yes
Rigorous Heat Exchanger

Duty - - Yes Yes Yes Yes


Overall U - - Yes Yes Yes
Estimated U - -
Area - - Yes Yes Yes Yes
U*Area - - Yes Yes Yes
LMTD - - Yes Yes
Shell T Out - - Yes Yes Yes Yes
Tube T Out - - Yes Yes Yes Yes
Tube Foul Factor - - Yes Yes Yes Yes
Shell Foul Factor - - Yes Yes Yes Yes
Required Foul - - Yes Yes Yes
Factor
LNG Heat Exchanger

Duty - - Yes Yes


T Out - - Yes Yes Yes Yes
Single Stream - - Yes Yes Yes Yes
Duty
Delta P - - Yes Yes Yes
U*Area - - Yes Yes
LMTD - - Yes Yes
MITA - - Yes Yes
Splitter

Temperature - - Yes Yes Yes


Pressure - - Yes Yes Yes Yes
Delta P - - Yes Yes Yes Yes
Specification - - Yes
Valve

Temperature - - Yes Yes


Pressure - - Yes Yes Yes Yes
Delta P - - Yes Yes Yes Yes
Compressor

Outlet Temp - - Yes Yes Yes Yes


Outlet Pres - - Yes Yes Yes Yes
Delta P - - Yes Yes Yes Yes
Compr. Ratio - - Yes Yes Yes Yes
Actual Work - - Yes Yes Yes Yes
Head - - Yes Yes Yes Yes
Adiab. Effy - - Yes Yes Yes Yes

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 323


Poly Effy - - Yes Yes Yes Yes
Max. Press - - Yes Yes
Cooler DP - - Yes Yes
Cooler Temp - - Yes Yes
Temp Estimate - - Yes Yes
RPM - - Yes Yes Yes
Curve RPM - - Yes Yes Yes
Expander

Outlet Temp - - Yes Yes


Outlet Pres - - Yes Yes Yes Yes
Pressure Drop - - Yes Yes Yes Yes
Expans. Ratio - - Yes Yes Yes Yes
Actual Work - - Yes Yes Yes Yes
Head - - Yes Yes Yes
Adiab. Effy - - Yes Yes Yes Yes
Min. Pressure - - Yes Yes
Flash -

Temperature - - Yes Yes Yes Yes


Pressure - - Yes Yes Yes Yes
Delta P - - Yes Yes Yes Yes
Duty - - Yes Yes Yes Yes
Specification - - Yes
Entrainment - - Yes Yes
Pseudo Prod. - - Yes
Mixer

Temperature - - Yes
Pressure - - Yes Yes Yes Yes
Delta P - - Yes Yes Yes Yes
Specification - - Yes
Pump

Temperature - - Yes Yes Yes


Outlet Pres - - Yes Yes Yes Yes
Delta P - - Yes Yes Yes Yes
Press Ratio - - Yes Yes Yes Yes
Work - - Yes Yes
Head - - Yes Yes
Efficiency - - Yes Yes
Equilibrium Reactor

Temperature - - Yes Yes Yes Yes

324 PRO/II USER GUIDE JUNE 2006


Pressure - - Yes Yes Yes Yes
Delta P - - Yes Yes Yes Yes
Duty - - Yes Yes Yes Yes
Conversion - - Yes Yes Yes Yes
Stoic. Coeff. - - Yes
Conversion Reactor

Temperature - - Yes Yes Yes Yes


Pressure - - Yes Yes Yes Yes
Delta P - - Yes Yes Yes Yes
Duty - - Yes Yes Yes Yes
Conversion - - Yes Yes Yes Yes
Gibbs
Temperature - - Yes Yes Yes Yes
Pressure - - Yes Yes Yes Yes
Delta P - - Yes Yes Yes Yes
Duty - - Yes Yes Yes Yes
PFR

Temperature - - Yes Yes Yes Yes


Pressure - - Yes Yes Yes Yes
Delta P - - Yes Yes
Inlet Pres. - - Yes Yes
Delta P In - - Yes Yes
Duty - - Yes Yes Yes Yes
Tube Diameter - - Yes Yes
Length - - Yes Yes
No. of Tubes - - Yes Yes
U - - Yes Yes
Max Veloc. - - Yes Yes Yes
Temp In - - Yes Yes Yes
Temp Out - - Yes Yes
Pre-exp. Factor - - Yes Yes
Activation E - - Yes Yes Yes
Conversion - - Yes Yes Yes
CSTR/Boiling Pot

Temperature - - Yes Yes Yes Yes


Pressure - - Yes Yes Yes Yes
Delta P - - Yes Yes Yes Yes
Duty - - Yes Yes Yes Yes
Conversion - - Yes Yes
Pre-exp factor - - Yes Yes Yes
Activation E - - Yes Yes Yes
Volume - - Yes Yes Yes

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 325


Min. Temp. - - Yes Yes
Max. Temp. - - Yes Yes
Max. Veloc. - - Yes Yes
Depressuring

Final Pres. - - Yes Yes Yes Yes


Relief Pres. - - Yes Yes Yes
Final Time - - Yes Yes Yes Yes
Relief Time - - Yes Yes Yes
Relief Duration - - Yes Yes Yes Yes
Valve Constant - - Yes Yes Yes
Valve Back P. - - Yes Yes
Valve Coeff. - - Yes Yes Yes
Critical Flow - - Yes Yes Yes
Factor
Init. Wetted A - - Yes Yes Yes
HT Area - - Yes Yes Yes
HT Coeff - - Yes Yes Yes
HTC Fac - - Yes Yes Yes
Vapor HTC - - Yes Yes Yes
Liquid HTC - - Yes Yes Yes
Coeff C1 - - Yes Yes Yes
Coeff C2 - - Yes Yes Yes
Coeff C3 - - Yes Yes Yes
Coeff C4 - - Yes Yes Yes
Coeff C5 - - Yes Yes Yes
Final Temp - - Yes Yes Yes
Final Duty - - Yes Yes Yes
Final Vent Rate - - Yes Yes Yes
Vess. Vol. - - Yes Yes
Liquid Holdup - - Yes Yes
Vess. Diam. - - Yes Yes
Vol. Corr. Fac. - - Yes Yes
Ht. of Holdup - - Yes Yes
Vess Weight - - Yes Yes
Vess. CP - - Yes Yes
Tan-tan Vess. - - Yes Yes
Length
Tan-tan Vess. - - Yes Yes
Height
Time Step - - Yes Yes
Isen Eff. - - Yes Yes Yes
Heat Scal. Fac. - - Yes Yes Yes
Area Scal. Fac. - - Yes Yes Yes
1 Available for any SPEC or DEFINE.

326 PRO/II USER GUIDE JUNE 2006


User-added Unit Operations

General Information

The PRO/II User-added Unit Operation capability enables users to add their own
FORTRAN subroutines to simulate any type of unit operation or to perform
calculations on flowsheet parameters. The subroutine must first be linked into the
PRO/II program and it is then accessed via the graphical user interface in the
same way as any other unit operation.

The User-added Unit Operation has access to the PRO/II physical property data
and may call the PRO/II flash and property calculation subroutines. Other
information, such as input and output dimensional units, is also available. See
the PRO/II Data Transfer System and User-Added Subroutine Users Guide for
information on writing and interfacing User-added Unit Operation subroutines.

The developer of the User-added Unit Operation can also customize the User-
added Unit Operation Data window to request only data which may be required
for the calculations.

Note: If transport properties are required in the User-added Unit Operation, you
must select a suitable method in the Thermodynamic Data.

Selecting the Subroutine

When a User-added Unit Operation is laid down on the PFD, the User-added
Unit Operation window opens in which the user must select the name of the
required subroutine.

Calculation or Output Execution

A User-added Unit Operation may be executed during the flowsheet


convergence calculations or at output time only. The User-added Unit Operation
Data window will show when the selected subroutine is calculated. This affects
whether feeds and/or products are allowed. The default is to perform the
calculations for the user-added unit as part of the normal flowsheet convergence
calculations.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 327


Calculation time: The User-added Unit Operation is calculated as part of the
normal flowsheet convergence. Additional calculations may be performed at
output time and an output report may be produced.

Output time: If the User-added Unit Operation requires only converged


flowsheet data for calculations and reports, it can be executed at output time
rather than during the flowsheet convergence.

Feeds and Products

The User-added Unit Operation may have up to ten feed streams. The
subroutine can retrieve each feed separately. They are not mixed or flashed. If
they are to be mixed, the user must do this in the subroutine. User-added Unit
Operations which are to be executed during the flowsheet convergence must
have at least one feed stream. Those which are only executed at output time
need not have any feeds.

User-added Unit Operations which are to be executed during the flowsheet


convergence may have up to ten product streams. These may be any
combination of phases. User-added Unit Operations which are only executed at
output time cannot have any product streams.

Stream Reordering

If the User-added Unit Operation has more than one feed or product, they will be
shown in the order in which they were laid down on the PFD. The user may need
to reorder the streams so that they are presented in the correct order to the User-
added Unit Operation. For example, the User-added Unit Operation may always
feed vapor to the first product stream and liquid to the second.

Reordering is done in the User-added Subroutine - Stream Reordering window


accessible by clicking Reorder Streams on the User-added Unit Operation Data
window.

Entering Data

Data are supplied to the User-added Unit Operation in four tables:


Real Data
Supplemental Data
Integer Data
Heat Balance Data

Data can be supplied to a User-added Unit Operation using either a Customized


Data Entry Window or the standard Developers Data Entry Window. These two
choices are explained below.

328 PRO/II USER GUIDE JUNE 2006


Data may also be entered into the variables in the Real Data table using the
PRO/II Define feature.

The variables in the Real Data table are also available to other unit operations by
means of SPECs, VARYs and DEFINEs. The other tables

Customized Data Entry Window

A user has the option of defining a Customized Data Entry Window to be used
for all user-added unit operations that utilize a specific user-added calculation
subroutine. The standard PRO/II User-added Unit Operations use the default
names USER41 - USER60 (displayed as US1-US20). If you create a customized
data entry window for a user-added calculation subroutine, the name that is
selected for it will replace one of the default names in the list of available
subroutine names that is displayed when a user-added unit is laid down on the
PFD.

Creating a Customized Q Data Entry Window

To create a customized data entry window to be used for a specific user-added


calculation subroutine, two ASCII files must be created in the directory specified
by the UserConfigDir= entry in the PVISION.INI file. These two files are called
UASLIST.INI and USERXX.INI and are described below.

File UASLIST.INI

This file contains the user-specified names for specific user-added calculation
subroutines that will be displayed in place of the default names US1 - US20,
corresponding to the subroutines USER41 - USER60. Each line in the file has
two entries; the entry number in the list of user-added subroutine names, and the
actual text that is to be displayed for the user-added subroutine. An example of a
typical UASLIST.INI file is shown below:

1. PIPE DP Routine
2. Stream Heating Value

These entries in the UASLIST.INI file will result in the following list of available
user-added calculational subroutines being displayed when a User-added Unit
Operation is laid down on the PFD:

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 329


File USERXX.INI

This file contains the variable names and array locations for all of the Real,
Supplemental, Integer, and Heat Balance Data values that the specific user-
added calculation subroutine requires or that can be input by the user. For a
user-added subroutine with a customized data entry window, a user will only be
able to enter values for the data items specified in this file. The XX in the name
of the USERXX.INI file corresponds to the respective user-added subroutine
referenced, i.e. the user-added subroutine USER41 with a user-specified name
of PIPE DP Routine above would need a USER41.INI file to describe the
required data for the calculations. An example of a typical USERXX.INI file is
shown below:

Example USER41.INI file:

IPARM 1 iPPrint ControllN Required


RPARM 1 iPDiameter (in)lm Required
RPARM 2 iPLength (ft)lg Required
...
SUPPLE 1 No. Of Segments Required
...

The first entry on each line indicates to which data array the variable belongs.
The second entry is the array number where the data value entered by the User
will be stored for access by the User-added calculational subroutine.

The third entry is the label to be displayed for the variable in the customized data
entry window. This entry must be enclosed in double quotes ().

The fourth entry on each line indicates whether or not data entry for the item is
Optional or is Required. The default is Optional, and this entry is not required.

The entries in the USER41.INI file shown above will result in the following
required data values and variable names being shown in the custom window
displayed for data entry, for any User-added Unit Operation where the user-
selected PIPE DP Routine as the user-added subroutine when the unit was laid
down on the PFD as shown below.

Customized UAS Data Entry Window

The order in which the variable labels appear on the customized User-added Unit
Operation Data window is the same as the order in which they appear in the
USERXX.INI file.

The limits on the number of variables that can be entered for each array are
shown below. These limits are:

330 PRO/II USER GUIDE JUNE 2006


Real Data - up to 500 elements
Supplemental Data - up to 10,000 elements
Integer Data - up to 250 elements
Heat Balance Data - up to 10 elements

Each table shows the name(s) of the variable(s) for which values must be
entered. They will scroll if they contain more than four rows. All data entries
displayed using a customized data entry window are required. No checks on
validity or completeness of the data are carried out until the User-added Unit
Operation is executed.

The Standard Developers Data Entry Window

A special window is available for developers of User-added Unit Operations. It is


the default window displayed for a User-added Unit Operation if a Customized
Data Entry Window has not been defined for the specific unit.

The developers data entry window has no variables names and any number of
variables may be entered up to the limits of each array.

These limits are:

Real Data - up to 500 elements


Supplemental Data - up to 10,000 elements
Integer Data - up to 250 elements
Heat Balance Data - up to 10 elements

The user must know which elements of each array are used by the User-added
Unit Operation and enter the array element number along with the value. Values
may be entered for any or all of the elements in the arrays. The elements defined
need not be contiguous and may be entered in any order.

PRO/II knows nothing about the data requirements of a User-added Unit


Operation and so no restrictions are imposed in the data entry.

Note: Unless the user defines a custom Data Entry Window for a specified User-
added Unit Operation, the data entry for that unit will be via the developers data
entry window.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 331


Electrolyte Module

General Information

The optional Electrolyte Module of PRO/II allows you to handle systems


containing electrolytes. See the PRO/II Add-On Modules Users Guide for more
information. The following unit operations can be used with this electrolyte
version:
Flash
Pump
Valve, Mixer, Splitter
Pipe
Simple heat exchanger, LNG heat exchanger
Conversion reactor, Equilibrium reactor
Stream calculator
Heating/Cooling curve
Calculator
Controller, Optimizer
Column (Electrolytic Algorithm, see below)

Thermodynamic Models

Eight built-in electrolyte models in PRO/II simulate aqueous systems in a wide


range of industrial applications. The models apply to fixed component lists with a
predefined set of thermodynamic methods for K-values, enthalpies and densities.
It is not possible to define individual methods for K-value, enthalpy or density
when using electrolyte thermodynamic models.

Note: Electrolyte models may not be used to calculate the following properties:
(1) Nonaqueous electrolyte systems; (2) Free water decant;
(3) Water dew points; (4) Hydrocarbon dew points, (5) Entropy and heat capacity.

The following electrolyte models are available in this release:


Amine Systems
Acid Systems
Mixed Salt Systems
Sour Water Systems
Caustic Systems
Benfield Systems
Scrubber Systems
LLE and Hydrate Systems

332 PRO/II USER GUIDE JUNE 2006


To select an electrolyte model:

Click Themodynamic Data on the toolbar to open the


Thermodynamics Data main data entry window.
Select the Electrolyte option in the Category list box.
Choose an appropriate electrolyte model.

The suggested range of applicability for the electrolyte models is summarized


below:

Temperature: 32-390 F (0-200 C)


Pressure: 0-200 atm
Dissolved gases: 0-30 mole %
Ionic solutes: 0-30 ionic strength
Amine Systems
Pressure: 0-30 atm
LLE Systems
Organic solutes: 0-10 weight %

You may add your own models, specifically suited to your application, by using
the PRO/II and the Electrolyte Utility Package (EUP). If you wish to do this,
contact your nearest SIMSCI support office for more information.

Note: Take care when using nonelectrolyte and electrolyte thermodynamic


methods in the same application. The PRO/II electrolytic models use a different
enthalpy basis from that used for other thermodynamic systems. When both are
used, PRO/II automatically takes care of the difference but it may appear to be
confusing. To avoid this, select the electrolyte enthalpy method for all
nonelectrolyte thermodynamic systems in a mixed application. All systems will
then use the electrolyte model basis.

Electrolytic Column Algorithm (ELDIST)

This column algorithm was designed to solve nonideal aqueous electrolytic


distillation columns involving ionic species. It uses a Newton-Raphson method to
solve the mass balance, vapor/liquid equilibrium and specification equations
simultaneously. The K-values and enthalpies are supplied by the electrolyte
thermodynamic model.

The Electrolytic Column Algorithm is selected from the Column Algorithm drop-
down list box on the Column main data entry window.

Note: Electrolytic thermodynamic models only support VLE and so total phase
draws are not permitted.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 333


Advantages and disadvantages of the Electrolytic Column Algorithm are given
below:

Advantages

(1) Rigorously models ionic equilibrium systems.


(2) Solves highly nonideal distillation columns.

Disadvantages

(1) Side columns are not supported.


(2) Pumparounds and tray hydraulics are not available.
(3) Certain Column Specifications and Variables are not permitted.

334 PRO/II USER GUIDE JUNE 2006


Simsci Add-on Modules

Add-on modules can be obtained in this version of PRO/II to extend the


functionality of the program. These modules include units for modeling polymer
systems, separating solid components from feed streams, blending streams with
different component and refinery inspection properties, as well as Profimatics
hydrotreating and reformer reactor models.

SIMSCI POLYMER CSTR Unit Operation

PRO/II contains features for handling polymers (e.g., van Krevelen property
prediction method, polymer moment attributes, ALM thermodynamic method, and
polymer flash).

The SIMSCI Polymer CSTR Add-on Model offers you the capability of modeling a
polymerization reactor operating under the following conditions:

Single monomer producing a linear homopolymer.


Single phase reaction (effects of heat and mass transfer on the mass
transport are not considered).
Ideal CSTR (steady-state, well-mixed, constant volume reactor).
Free radical polymerization kinetics.
Bulk or solution polymerization.

This reactor unit has been added to PRO/II as part of the SIMSCI Add-on Models
(Polymer CSTR) and is available from SIMSCI as the SIMSCI Polymer CSTR
module.

Required Data for the Polymer Reactor Unit

This version of PRO/II does not allow you to enter the necessary Component,
Stream, or Thermodynamic Data via required the data entry windows. However,
you can enter the necessary Polymer CSTR data using the Polymer CSTR data
entry window for the SIMSCI Add-on Model.

To enter data for the Polymer CSTR:

Once you have entered your simulation data, including the data for the Polymer
CSTR, but excluding any polymer-specific thermodynamic, stream, or component
data, you will need to do the following:

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 335


Export the simulation data to a PRO/II keyword file.
Add the necessary polymer-specific data to the keyword file.
Import the modified keyword file into PRO/II and run the simulation
problem in Run-Only mode.

For additional information, refer to the PRO/II Add-On Modules Users Guide.

SIMSCI COMPONENT PROPERTY REPORTER Unit Operation

This unit prints out the Component Properties and Refinery Inspection Properties
for all the thermodynamic methods in the current flowsheet. This unit is selected
from a drop-down list box on the SIMSCI Add-on Units main data entry window.
No data input is required.

SIMSCI BLEND Unit Operation

The Blend unit allows you to blend two or more streams to give one product
stream with different component and refinery inspection properties. This unit is
selected from a drop-down list box on the SIMSCI Add-on Units main data entry
window.

The feed streams should have different thermodynamic methods for this unit to
function correctly, but this is not necessary. The unit thermodynamic method
must be different from any of the feed stream thermodynamic methods.

The following data must be provided:


Product stream temperature.

The product stream pressure may also be supplied, but if it is not given, the
pressure will be set to the lowest feed stream pressure.

The unit thermodynamic method component properties will be recalculated from


the blend of the feed streams properties and will then be stored as part of that
thermodynamic method data storage. Only petroleum and assay generated
component properties will be recalculated; it is assumed that Library component
properties do not change in the flowsheet. The unit first recalculates the normal
boiling point, molecular weight and specific gravity for all the petroleum
components. These recalculated properties are then used to recharacterize all
the other petroleum fraction properties such as the critical temperature.

336 PRO/II USER GUIDE JUNE 2006


Using the Blend Unit with Refinery Inspection Properties

Any refinery inspection properties specified in the input will also be blended from
the feed streams properties using the specified blending method for that
property. It is necessary that every thermodynamic method must have the same
refinery inspection properties specified and that these properties must use the
same property method and blending basis in order for the unit to work. A check is
done at input time to check that all the methods in the problem have the same
refinery properties, methods and bases specified. You can request this check to
be done, at calculation time, on the methods used in the current unit using the
IPARM entry.

Note: Requesting this check at calculation time should be used with care and is
not recommended.

SIMSCI RESET Unit Operation

The RESET unit allows you to reset the product stream enthalpy datum using the
thermodynamic method specified within the unit. This unit is selected from a
drop-down list box on the SIMSCI Add-on Units main data entry window. Only
one feed and one product stream are allowed for the unit.

Note: If you try to import a keyword file that specifies more than one feed or
product stream, PRO/II will produce an input error.

The feed stream pressure is always kept constant and you are required to
specify whether the temperature, enthalpy, dew point, bubble point or vapor
fraction is kept constant. The new product stream conditions will be calculated
based on the option specified. The available calculation options are entered
through the first value in the Integer Data for Unit field and are as follows:

Value Entered Calculation Option

1 Specify the product stream at the feed stream temperature


2 Specify the product stream at the feed stream enthalpy
3 Specify the product stream at the feed stream vapor fraction
4 Specify the product stream at the dew temperature
5 Specify the product stream at the bubble temperature

Note: In this version, a warning message will alert you if the thermodynamic
method of the unit operation is different from the thermodynamic method of any
of the feed streams. This warning message applies to all unit operations except
for the RESET unit, the BLEND unit and any Profimatics reactor models.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 337


SIMSCI Profimatics Reactor Unit Operations

These units model Profimatics Hydrotreater and Reformer Reactor unit


operations and can be selected from a drop-down list box on the SIMSCI Add-on
Units main data entry window.

338 PRO/II USER GUIDE JUNE 2006


Valve

General Information

The Valve is used to model the Joule-Thompson effect that occurs


across a pressure restriction such as a valve, orifice plate, etc. The temperature
for the exit fluid is computed by assuming that the operation is adiabatic.
Rigorous calculations may be performed for both VLE and VLLE systems.

Feeds and Products

A valve operation may have multiple feed streams, in which case the inlet
pressure is assumed to be the lowest feed stream pressure.

A valve may have one or more product streams. The product phase condition for
valve operations with one product stream is automatically set by PRO/II. For
valve units with two or more product streams, the product phases must be
specified in the Valve Product Phases window which is accessed by clicking
Product Phases on the Valve main data entry window.

Product phases allowable include: vapor, liquid, decanted water, heavy liquid,
and mixed phase (vapor plus liquid). Mixed phase is mutually exclusive with
vapor and liquid products and is not allowed when four product streams are
specified.

Outlet Conditions

The outlet condition for a valve is selected with the appropriate radio button on
the Valve main data entry window as:

Pressure drop
Outlet pressure

Thermodynamic System

The thermodynamic system of methods to be used for valve calculations may be


selected by choosing a method from the Thermodynamic System drop-down list
box on the Valve main data entry window.

Chapter 9 UNIT OPERATIONS AND UTILITY MODULES 339


Wiped Film Evaporator

General Information

The Wiped Film Evaporator unit operation (WFE) provides the capability to model
the separation of solvents and/or monomers from a polymer melt. A Wiped Film
Evaporator should be used when the removal of volatiles from a viscous polymer
melt is diffusion limited. The blades inside the wiped film evaporator continually
mix and spread a thin film of the melt on the wall of the evaporator. As the melt
moves down the evaporator, the volatiles diffuse out of it and into the vapor
space of the evaporator. The volatiles are pulled out of the evaporator under
vacuum.

Detailed Information

For detailed information regarding operating modes, data requirements, and


range of applicability of the Wiped Film Evaporator model, consult the PRO/II
Add-On Modules Users Guide.

340 PRO/II USER GUIDE JUNE 2006


Chapter 10
Running and Viewing a
Flowsheet
This chapter describes how to run a simulation, interactively change the
calculation sequence, use breakpoints, and view calculation history and results.

Using the Run Palette

The PRO/II Run palette shown in Figure 10-1 provides options for data
verification, interaction with the simulation (running the simulation by stepping
through the units) and viewing convergence or simulation results. You access
these features by choosing the appropriate button on the Run palette. If all
required input data have not been provided when you choose Run, PRO/II will
display a warning message telling you which data are incomplete.

To display/hide the Run palette:

Select/deselect the View/Palettes/Run option from the menu bar. The


Run palette appears/disappears on the PRO/II main window.

Chapter 10 RUNNING AND VIEWING A FLOWSHEET 341


Figure 10-1: Run Palette

The palette displays push buttons that execute or access a feature:

Operation Description

Status Displays the global messages for the


current simulation.

Check Data Checks the input data to determine


whether there are any data
inconsistencies.

Run Executes the simulation, either from


the beginning or from a breakpoint.
irCheck Datalc is automatically
performed, if necessary.

Step Steps through the execution of the


simulation by stopping at each unit
operation in the calculation sequence.

Stop Interrupts or stops the simulation while


it is executing. The program completes
its current calculation before stopping.

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Set Breakpoints Selects the units you want to assign as
breakpoints. The program then
executes the simulation, stopping at
these breakpoints.

Goto Starts the execution from any specified


unit. You can select the unit by clicking
the ihGoto cursorlg on the desired unit
in the flowsheet.

Messages Displays the calculation history as it is


being produced. This window can be
displayed when the PRO/II calculation
engine is executing the simulation, in
which case, the history will be updated
as the calculation proceeds.

View Results Displays the detailed output results of


the highlighted unit operation or stream
in the flowsheet of the previously run
simulation. You can review the results
of multiple units or streams, if desired.
If the simulation has been run
previously, you can view its results
without executing it again by opening
the appropriate .OUT file.

Show Breakpoints Shows which units are assigned as


breakpoints by displaying their icons in
a different color. Clicking the button a
second time disables the breakpoint
display.

Checking the Simulation Status

Use Status to display the Flowsheet Status window. This window allows you to
view the global status messages for the current simulation. This button is
highlighted as a selectable operation only if Check Data has been previously
invoked either directly from the palette or indirectly from execution of the Run
operation. The following colors around the Status button indicate the Check Data
results:

A red border indicates that errors were found.

A yellow border indicates that warnings were generated.

A black border indicates that no errors were found when Check Data was last
performed.

Chapter 10 RUNNING AND VIEWING A FLOWSHEET 343


In all cases, the status can be viewed by selecting Status.

To see the current global status messages for your simulation:

Choose Status from the Run palette. The Flowsheet Status window
appears. The Check Data results appear in a scrollable window.

Figure 10-2: Flowsheet Status

If errors were detected, you must correct your simulation data.

Choose Close to exit the Flowsheet Status window.


Correct your simulation errors.

If no errors were detected, run the simulation.

Understanding the Unit Color Coding Cues

As the simulation progresses, you will observe that the individual units will
change color. Refer to the following for the default color codes.

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Unit Color Coding

Color Significance

Yellow Unit operation at initial condition.

Red Unit operation has not been solved.

Green Unit operation in process of being


calculated.

Blue Unit operation has been solved.

Dark Blue Unit operation has been calculated.


This color is displayed only when you
use the Run button, and a unit
operation was previously calculated.

Purple Breakpoint set directly before or after a


unit operation

Using the No Colors Feature

If you do not wish to see the unit icon colors update as the flowsheet solves, you
can get a performance benefit by deselecting the View/Show Run Colors option
on the menu bar. This option operates exactly like the Run button on the Run
palette, but unit icon colors are updated only when the simulation finishes or
stops at a breakpoint.

Running the Simulation

When you begin executing the simulation, the flowsheet convergence can be
viewed in a Messages window by clicking Messages on the Run palette. You can
close this window by clicking again on Messages or by double-clicking on the
Message windows control-menu box.

Use Run to begin executing the simulation. The program starts from:

The first unit, if this is the first run;


The unit at which the calculations were stopped;
The unit you selected using the Goto option.

Chapter 10 RUNNING AND VIEWING A FLOWSHEET 345


The Run option automatically runs Check Data.

To begin executing the simulation:

Choose Run from the Run palette.

When stepping through or stopping simulation execution, you may


choose to examine the status of the simulation.

Select Status from the Run palette.


You may continue stepping through the simulation on a unit-by-unit basis
by selecting Step .
Alternatively, you may choose to run the simulation without stepping by
selecting Run .

If the run encounters problems, warnings will appear in the Flowsheet Status
window. You have the option to close the window and correct the warnings or
continue the run by clicking Run Simulation.

Stepping Through Simulation Execution

Use Step to execute the calculations for the current unit (stopping at the next unit
in the calculation sequence). In this manner, you can step through the execution
of the simulation by stopping at each unit operation in the calculation sequence.

To step through the execution of the simulation:

Choose Step from the floating Run palette.

If the Messages window is open, you can observe that execution ceases after
completion of the current unit.

Stopping Simulation Execution

Use Stop to interrupt or stop the simulation while it is executing. The program
completes its current calculation before stopping.

To stop or interrupt simulation execution:

Choose Stop from the Run palette.

The unit after the calculation stops becomes the current unit, as
indicated by its color.

346 PRO/II USER GUIDE JUNE 2006


Using Goto

Use Goto to start execution from a selected unit. This can be invoked at program
initiation or after execution pauses while stepping or stopping.

To start the execution from a specified unit:

Select a unit on the PFD.


Choose Goto from the Run palette.

The selected unit becomes the current unit. When execution completes on this
unit, its Goto status is removed.

Using Breakpoints

You can set a breakpoint on any unit. Breakpoints can be before the unit
operation, after it, or both. You can set breakpoints using the cursor or by utilizing
the Breakpoints window. In addition, you can set breakpoints before and after a
loop using the Breakpoints window.

To set breakpoints using a cursor:

Choose Set Breakpoints from the Run palette to turn on the Breakpoint
mode. This automatically brings up the Breakpoints window.
Select the unit for which you want to set a breakpoint.
Choose Close to exit the Breakpoints window.

PRO/II turns units selected as breakpoints purple and updates the values in the
Breakpoints window.

To delete a breakpoint in Breakpoint mode:

Select the unit. PRO/II will no longer show this unit as purple.

PRO/II updates the values in the Breakpoints window to show that there is no
longer a breakpoint attached to this unit.

The Breakpoints window lists all unit operations in the calculation sequence and
identifies the breakpoint type for each unit: (before, after, both). Units without a
breakpoint are considered Off. Breakpoints are for use during the current
session. PRO/II does not save breakpoint information.

Chapter 10 RUNNING AND VIEWING A FLOWSHEET 347


To set breakpoints using the Breakpoints window:

Choose Set Breakpoints from the Run palette. The Breakpoints window
appears.

Note: Click Show Breakpoints to highlight those units or loops where


breakpoints have been previously set.

Figure 10-3: Breakpoints Window

Set the desired breakpoint type by clicking on the check boxes. You can
set before, after, or both.
Select a unit from the list.

The breakpoint for the unit is set based on the breakpoint placement you select.

To close the Breakpoints window:

Choose Close.

Note: Closing the Breakpoints window does not turn off Breakpoint mode.

To turn off Breakpoint mode:

Choose Set Breakpoints on the Run palette a second time.

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Viewing Calculation History

Use Messages to view the calculation history that has been produced so far. This
can be used while the simulation is executing, after the simulation finally ends, or
when the simulation reaches a breakpoint.

To view the calculation history for the simulation thus far:

Choose Messages from the Run palette.

The Messages window appears. This is a multiline data window that is


continuously updated.

Viewing Results

Use View Results to display results for the selected stream or unit in the default
text editor.

To view results for a stream or unit:

Select the desired stream or unit.


Choose View Results from the Run palette, or
Click View Results on the toolbar.

Alternatively, you can view process unit and stream results via the Unit List and
Stream List (Go To) windows:

Click unit or stream to open the Unit List or Stream List window
.
Highlight the desired unit or stream.
Click View Results .

The PRO/II report generator creates a single ASCII file.

The default text editor will be used to display the standard PRO/II output for the
selected stream or unit.

Chapter 10 RUNNING AND VIEWING A FLOWSHEET 349


Viewing Results in Stream Property Tables

The stream property tables provide a convenient means to display selected


results for a group of streams on the PFD. Four predefined report formats are
supplied. These formats may be modified as desired and/or additional formats
may be defined by the user. In addition to the stream properties selected for
display, the titles and number of decimal places to display for each stream
property may be chosen by the user. A quick check of the material balance for
the problem may be accomplished by displaying the source and sink streams for
the problem.

350 PRO/II USER GUIDE JUNE 2006


Selecting Streams for Property Tables

Stream property tables are set up from the PFD palette by adding a stream
properties icon to the PFD.

Double-click the stream properties icon on the PFD to display the Stream
Property Table window.
Choose the method for available stream selection by selecting the
appropriate radio button:

Include All Streams: This is the default. All the streams in the flowsheet are
displayed in the Available Streams list box.

Include Flowsheet Source/Sink Streams: Only those streams entering the


flowsheet as feeds and leaving the flowsheet as products are displayed in the
Available Streams list box, producing a material balance check for the flowsheet.

The streams in the Displayed Streams list box may be sorted using the Up,
Down, Top and Bottom buttons.

Customizing the Stream Property Tables

The appearance of a stream property table may be customized with options


provided on the Stream Property Table window. The property list (format) to use
for the display may be selected in the Property List to be Used list box. Note that
in addition to the property lists supplied by PRO/II, the user may also prepare
special property lists for selection. See Defining Stream Property Lists below for
information.

Contiguous strings of components may be grouped into a single component


group for printout. For example, a C6 plus component group might be used to
group all components from NC6 and heavier. Any number of component groups
may be set up. To specify a component group, click Define Component Groups
on the Stream Property Table window to access the Group Components window.
This window may be used to define and name component groups, as well as to
edit existing component groups.

Chapter 10 RUNNING AND VIEWING A FLOWSHEET 351


The appearance of the steam property table itself may be altered by the user in
the Stream Property Table window. Options include multiple rows per table,
displaying the row grid lines, and setting the widths for the borders, lines, and
property cell characters.

Defining Stream Property Lists (Formats)

Stream property lists are defined and edited via the Define Property List window.
This window is accessed by choosing Options/Stream Property Lists from the
menu bar. PRO/II provides four default lists that may be edited if desired:

Short Property List: Temperature, Pressure, Molar flowrate, Phase.

Material Balance List: Temperature, Pressure, Molar flowrate, Phase, Molar-


based composition.

Stream Summary: Phase, Molar flowrate, Standard liquid flowrate,


Temperature, Pressure, Molecular weight, Enthalpy, Specific enthalpy, Mole
fraction liquid, Reduced temperature, Reduced pressure, Acentric factor, UOP
K-value, Standard liquid density, Vapor and liquid molar flowrate, Vapor and
liquid mass flowrate, Vapor and liquid volumetric flowrate, Vapor and liquid
molecular weight, Vapor and liquid specific enthalpy, Vapor and liquid CP, Vapor
and liquid density, Vapor and liquid viscosity, Vapor and liquid thermal
conductivity, Liquid surface tension.

Comp. Molar Rates: Molar component and total flowrates, Temperature,


Pressure, Enthalpy, Molecular weight, Mole fraction vapor and liquid.

To edit an existing property list:

Use the drop-down list box to select the property list name.

To create a new property list:

Click New to access the New List window and enter a name for the new
list in this window. This window also allows you to select an existing list
from a drop-down list box to be copied to create the new list.

To add a property to a property list:

Select the property in the Select Properties drop-down list box on the
Define Property List window and click the button to transfer the property
to the Property Description Format list box.

The property that was selected is expanded in this window, with the addition of a
description and a format which may be edited in the data entry fields provided.

352 PRO/II USER GUIDE JUNE 2006


The description for the property may be changed from the default value and the
number of decimal places for printout may also be changed if desired.

When editing an existing property list, properties may be selected in the Property
Description Format list box and edited, deleted, or rearranged as desired.

In addition to such properties as temperature, pressure, enthalpy, etc., property


items such as double line, line, and text may be incorporated in a property
list to add blank lines and special headings.

Running a Case Study

Case Study is an executive level feature that allows you to perform studies on a
base case solution by altering parameters selectively and rerunning the
simulation.

Access the Case Study main data entry window by selecting


Input/Casestudy Data from the menu bar.

Figure 10-4: Case Study Main Data Entry Window

Enable the window by checking the Define Case Study box.

Chapter 10 RUNNING AND VIEWING A FLOWSHEET 353


In this window, you can specify the changes you want to make to your input
Parameters and to define the Results you want to examine. You may define as
many parameters and results as you want.

Parameters: The table of parameters initially has one row. You may insert or
remove as many rows as you wish.

Parameter Identifier: The parameter identifier defines the way you want the
output data to be presented after the Case Study has been executed. A default
identifier (here PARAM1) is supplied. To change the parameter identifier, click
on the data field and enter a new name.

Parameter: You must identify a parameter to change. Click Parameter to open


the Parameter window. Select the parameter that you want to change. When you
close this window, the parameter you have specified appears in place of the
original text.

Start Value: Click Base Case Value to open the Parameter Start Value window
where you define the starting value for the parameter. The starting value defaults
to the value of the parameter in the base case. When you close this window, the
starting value will be displayed.

Start Cycle: The start cycle is the cycle after which the incremental changes are
implemented. Cycles before the start cycle use the value in the base case. If
necessary, enter a new start cycle number. By default, the starting cycle is one
(1).

End Cycle: Cycles after the end cycle use the value in the end cycle. If
necessary, enter a new end cycle number. The end cycle defaults to the value of
the start cycle.

Step Value: Next, define the value of the incremental step change per cycle. The
new step value will be displayed.

Results: The table of results initially has one row. You may insert or remove as
many rows as you wish. You may define a Result as one flowsheet parameter or
as a function of two flowsheet parameters or as a function of one flowsheet
parameter and a constant. See SPEC/ VARY/DEFINE in Chapter 9 for details on
using and changing mathematical operators and composing specifications.

Result Identifier: The result identifier will be used when you define how you
want the output data to be presented after the Case Study has been executed. A
default identifier is supplied. To change the result identifier, click on it and enter a
new identifier.

354 PRO/II USER GUIDE JUNE 2006


First Parameter: Click on the first (or only) parameter to open the Parameter
window where you select the parameter that you want as a Result or as the first
element of the function you are defining.

Second (Reference) Parameter: Click on second parameter to open the


Parameter window where you select the parameter (or constant) that you want
as the second element of the function you are defining.

Execution Options: Select from the Execute: list to execute the base case only
or the base case and the case study. If you do not want to execute all the cycles
of the case study, select Base Case and Specified Cycles and specify a
beginning and ending cycle.

Viewing Case Study Results

Select Output/Case Study/Plots or Output/Case Study/Table from the menu


bar to specify the format of your Case Study results. After entering a required
name and optional title for the plot or table, click Data to open a window where
you may specify the parameters and results you wish to have plotted or
tabulated, enter labels for the axes of the plot or rows and columns of the table,
etc.

Running Files in Batch Mode

You can execute one or more PRO/II ASCII keyword input files or flowsheet
simulation files in Batch Mode from within PRO/II.

The keyword input file may be one that was created using a text editor or word
processor, or one that was previously created using the Keyword File Export
capability. You can also execute flowsheet simulations that were created using
PRO/II from the GUI, or were created by importing a PRO/II keyword input file.

The batch execution of keyword input files or simulation files generates the
standard PRO/II ASCII output file for each of the selected files.

While executing simulation problems in batch mode, you can continue to work
with other Windows applications. You can terminate the currently executing
problem or the batch execution mode completely by pushing the Terminate
Current Problem or Terminate Batch Run buttons, respectively.

To select a PRO/II keyword input file, simulation file (or group of files), or a
previously stored execution list file:

Close the currently open simulation.


Choose File/Run Batch from the menu bar. PRO/II displays the Run
Batch - Input and/or Simulation Files Selection window.

Chapter 10 RUNNING AND VIEWING A FLOWSHEET 355


Figure 10-5: Run Batch - Input and/or Simulation Files Selection

Initially, there are no keyword input (*.INP) or simulation files (*.PR1) displayed in
the File Sequence window. There are two methods of adding keyword input or
simulation files to the file sequence list:

Select the files explicitly using the Add Files button, or


Load a previously saved list of files using the Load List button.

To select the desired keyword input or simulation files:

Click Add Files.

PRO/II displays a list of available existing keyword input files. The default file
type is keyword files (*.INP). You can change the file type to simulation files
(*.PR1, *.PRZ) using the Files of type drop-down list-box.

356 PRO/II USER GUIDE JUNE 2006


Figure 10-6: Run Batch - File Select

Type or select the name of the file that you want to execute. You can
select multiple files within a given directory. Only the keyword input files
highlighted in the currently selected directory will be added to the list of
files to execute when you exit this window.
Click OK to validate your selection and return to the Run Batch - Input
and/or Simulation Files Selection window.

To load an existing list of keyword input and/or simulation files:

Click Load List.

PRO/II displays a list of available existing execution list files. The default file type
is Run Batch List (*.LST). These files contain the complete path and name of
keyword input and simulation files in the execution order previously specified by
the user. An example of the typical contents of an execution list file is given
below:

C:\SIMSCI\PROII_W\USER\CASE1.INP
C:\SIMSCI\PROII_W\USER\CASE2.INP
C:\SIMSCI\PROII_W\USER\CASE3.INP

Execution list files may include comment lines (beginning with a semicolon ;),
and include list file directives given by #include followed by the .LST file name.
An example is given below:

Chapter 10 RUNNING AND VIEWING A FLOWSHEET 357


;This is a comment
C:\SIMSCI\PROII_W\USER\CASE1.INP
C:\SIMSCI\PROII_W\USER\CASE2.INP
; The following list file to be loaded
; contains flash problems
#include flash.LST

Note: The #include directives may be nested, e.g., in the example above,
flash.LST itself could contain the directives #include dewpt.LST and #include
bubpt.LST.

Figure 10-7: Run Batch - Load File List

Type or select the name of the execution list file that you want to load.
You can select multiple list files within a given directory. Only the list files
highlighted in the currently selected directory will be used to create the
list of keyword input and simulation files to be executed.
Click OK to validate the selection and exit.

When you return to the Run Batch - Input and/or Simulation Files Selection
window, the contents of the previously selected execution list file(s) will have
been expanded and are now displayed in the File Sequence list box. Selected
files will be added to the bottom of the list of previously selected files displayed in
the File Sequence list box.

358 PRO/II USER GUIDE JUNE 2006


Revising the File Execution Sequence Order

You can revise the order in which the selected files are to be executed using the
Remove , Move Up , Move Down , Move Top and Move Bottom buttons.

Creating an Execution File List

You can store a list of keyword input or simulation files as an Execution File List
that can be retrieved and executed at a later date.

Click Select from Lists.

PRO/II displays the Run Batch - Save File List As window containing the
execution file list options.

Figure 10-8: Run Batch - Save File List As

Enter a name for the Execution List File.


Click OK to store the list as a *.LST file in ASCII format.

Executing the Batch List

When you return to the Run Batch - Input and/or Simulation Files Selection
window, you can begin the execution of the specified file list. To start the batch
mode execution of the list:

Click OK.

Chapter 10 RUNNING AND VIEWING A FLOWSHEET 359


The specified list will be executed in the order shown in the File Sequence box.
When the execution is complete, a message will be displayed to notify you that
the batch mode execution has been completed.

Terminating Execution of a Batch List

You have the choice of terminating the currently executing simulation problem, or
terminating the batch mode execution completely.

To terminate batch mode execution of the selected keyword files:

Click Terminate Current Problem to terminate the currently executing


problem.

The problem execution will stop after the current unit calculations are complete.

Note: You can terminate an executing problem only during calculation.

To terminate batch mode execution completely:

Click Terminate Batch Run to end the execution.

Viewing Output Results

Results of Batch Execution of Keyword Input (*.INP) Files: By default, the


program deletes the simulation files that remain after batch mode execution of
specified keyword input files (*.INP). The standard PRO/II ASCII output report will
be located in the corresponding .OUT file(s).

Results of Batch Execution of Simulation (*.PR1, *.PRZ) Files: By default, the


program will not delete the simulation files that remain after the batch mode
execution of specified simulation files (*.PR1, *.PRZ), or the ASCII format
standard output report located in the corresponding .OUT file. You can open the
resulting simulation file(s) with the File/Open command, and then proceed to
generate reports or modify the simulation flowsheet as desired in PRO/II.

Whatever type of file (keyword input or simulation) was executed in batch mode,
you can always view and edit the corresponding standard ASCII output files with
any ASCII-capable text editor or word processor.

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Chapter 11
Printing and Plotting
This chapter describes how to generate, view and print reports, and generate
and print plots. Printer setup is also described.

Defining Output Format

PRO/II provides a variety of report options for streams, unit operations and
dimensional units. You can change the output format of a report for any solved
simulation without re-executing the simulation.

To define the output format:

Choose Output/Report Format from the menu bar. The Report Format
menu appears with options for Units of Measure, Miscellaneous Data,
Stream Properties, and Unit Operations.

Figure 11-1: Report Format Menu

Setting Miscellaneous Data Report Options

You can set the report dimensions, identify the data you want to include and set
the product stream scaling using the Miscellaneous Data option.

Chapter 11 PRINTING AND PLOTTING 361


To set miscellaneous data options:

Choose the Option/Report Format/Miscellaneous Data from the menu


bar. The Miscellaneous Report Options window appears.

Figure 11-2: Miscellaneous Report Options

362 PRO/II USER GUIDE JUNE 2006


Setting Product Stream Scaling

To change the scale stream flowrate:

Choose Product Stream Scaling from the Miscellaneous Report


Options window. The Report Options - Product Stream Scaling window
appears.
Select the Scale Stream Flowrate checkbox.
Specify the stream to be scaled, the components to be scaled, and the
scaled flowrate.

Figure 11-3: Scale Stream Flowrate

Click OK twice to commit the changes and return to the PFD.

Chapter 11 PRINTING AND PLOTTING 363


Setting Stream Properties Report Options

To set the stream properties report options:

Choose the Output/Report Format/Stream Properties menu item. The


Stream Property Report Options window appears (Figure 11-4).
Select the desired flowrate, fractions, or percent values for the Standard
Component Flowrate/Composition Report.
Click OK to commit the entries and return to the PFD.

Figure 11-4: Stream Property Report Options

Setting Units of Measure Report Options

In addition to the global, problem and unit level default units of measure you set
for input data, you can also set Problem Units of Measure for output reports. You
can change the output values for all the fields by applying a different units of
measure set or you can make individual value adjustments.

To set units of measure for output reports:

Choose the Units of Measure menu item from the Report Format menu.
The Default Units of Measure for Problem Output Report window
appears.

364 PRO/II USER GUIDE JUNE 2006


Figure 11-5: Default Units of Measure for Problem Output Report

Click Initialize from UOM Library to extract default values from another
set or replace the default values as necessary.
Optionally, click Standard Vapor Conditions to change the vapor
condition settings for this problem. The Problem Standard Vapor
Condition window appears.

Figure 11-6: Problem Standard Vapor Conditions

Specify the desired standard vapor conditions.

Chapter 11 PRINTING AND PLOTTING 365


Click OK in the child windows to return to the PFD.

Setting Unit Operations Report Options

You can set specific print options for each type of unit operation.

To set the unit operations report options:

Choose the Output/Report Format/Unit Operations menu item. The Unit


Operation Output Report Options window appears.

Figure 11-7: Unit Operations Output Report Options

Select the desired unit operation.


Choose Print Options . The Column Print Options window appears.

366 PRO/II USER GUIDE JUNE 2006


Figure 11-8: Column Print Options

Select the items you want to include in a Column Report.


Optionally, click Plot Column Results to set options for a plot. The Column Plot
Options window appears.

Chapter 11 PRINTING AND PLOTTING 367


Figure 11-9: Column Plot Options

Click OK in the child windows, then Close to commit the entries and
return to the PFD.

Generating a Report

You can generate a report to a file. Use the Define Format option to define the
format of the report.

To generate a report from an executed simulation:

Click Generate Reports on the toolbar, or choose Output/Generate


Reports from the menu bar.

As PRO/II generates the report, a window appears, displaying the status of the
report as it runs. Once the report has been generated, the default editor window
appears displaying the contents of the report. PRO/II appends an .OUT
extension to the current simulation name and saves the file in the USER
directory.

368 PRO/II USER GUIDE JUNE 2006


Viewing a Report

To view a previously generated report of the current simulation:

Choose Output/View Report from the menu bar.

To view a previously generated report for any simulation:

Choose File/Open from the menu bar.


Select Report Files in the List Files of Type list box and choose the
desired file.

Printing a Report

To print the report:

Print from your text editor while viewing the report, or


Choose File/Print from the menu bar.
Select Report in the Print drop-down list box in the Print window.
Click OK .

Plotting

PRO/II generates and displays a variety of plots for input data and tabulated
results. The following plots can be generated:
Input Data
Assay stream analysis
Output Results
Distillation column profiles (temperature, flowrates, composition, and
separation factor)
Zones analysis for simple and rigorous heat exchangers
Phase envelopes
Heating/Cooling curves

Plots can be displayed using PRO/IIs Plot Viewer or Microsoft Excel. The section
Setting Up the Plot Driver later in this chapter describes how to select and
configure the plot driver.

Chapter 11 PRINTING AND PLOTTING 369


Generating a Plot

To generate an assay stream analysis plot, select View Curve... on the Stream
Assay Definition window. Three curves will be generated:

The actual user input distillation data


The regressed TBP curve
The component cuts generated.

To generate one of the output results that PRO/II supports:

Choose Output/Generate Plot from the menu bar. PRO/II displays the
Generate Plot window as shown in Figure 11-10.

Figure 11-10: Generate Plot Window

By default, the Units for Selection list box displays all the unit Operations in your
flowsheet for which plots are available. If you check the Selected Units option,
only those units you previously selected on the PFD for which plots are available
will be shown.

When you select a unit operation in the Units for Selection list box, the Available
Plots list box displays all plots available for that unit. You may select a plot then
click Plot to display the plot. If the plot requires additional options to be chosen,
the Plot button will change to an Options button. Currently, additional data is
required only for Distillation Column Plots.

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Plotting a Column

To obtain a plot of vapor and liquid compositions:

Choose Vapor and Liquid Compositions, then choose Options to open


the Column Vapor and Liquid Composition Plot window.

Figure 11-11: Column Vapor and Liquid Composition Plot

Enter the additional data required.


Click Plot.

Setting Up the Plot Driver

PRO/II can display plots using its internal Plot Viewer or Microsoft Excel (through
version 7).

The PRO/II Plot Viewer is a built-in utility that also prints plots.

Microsoft Excel provides a complete set of formatting features. With Excel, you
can change plot colors, axis titles, and other attributes to create a presentation-
quality graph.

To select and configure the plot driver:

Choose Options/Plot Setup on the menu bar to open the Plot Setup
window.

Chapter 11 PRINTING AND PLOTTING 371


Figure 11-12: Plot Setup Window

PRO/IIs installation procedure will set up the options in this window. Select the
desired plot driver using the list box. If you need to configure the currently
selected plot driver, press Setup to display the Setup Plot Driver window. You
cannot configure the PRO/II Plot Viewer (option SIMSCI).

Figure 11-13: Setup Plot Driver Window

372 PRO/II USER GUIDE JUNE 2006


The configuration options are:

Driver File: The complete path and filename of the dynamic link library (DLL) for
the plot driver.

Driver Function: The function name to invoke the driver.

Command Line: The full command line to invoke the plotting application.

Options: Additional driver-specific options.

The Plot Viewer

PRO/IIs Plot Viewer utility lets you view a plot, print it, copy it to the clipboard,
and export its data to a file. Modifications of plot attributes are not supported. If
you want access to comprehensive editing and formatting features for your plot,
choose the Excel plot driver.

To save a plot:

Choose File/Save As from the Plot window menu.


Enter the desired plot file name and click OK .

You can send a plot from the Plot window to your plotter.

To send a plot to the plotter:

Choose File/Print from the Plot window menu.

To export a plot to an ASCII file:

Choose File/Export from the Plot window menu.


Select the file type (tab- or comma-delimited) and click OK .

To copy the plot image to the clipboard:

Choose Edit/Copy from the Plot window menu.

Chapter 11 PRINTING AND PLOTTING 373


Setting Up the Printer

To set up the printer:

Choose File/Print Setup from the menu bar.


Select a printer.
Select paper orientation and size and click OK .

Printing a Flowsheet Layout

To print a flowsheet diagram:

Choose File/Print from the menu bar.


Select the range of pages and click OK .

374 PRO/II USER GUIDE JUNE 2006


Chapter 12
Customizing the PFD
Workplace
This chapter surveys the customization of PFD appearance. You can control unit
and stream appearance, modify the stream property tables, and set the font style
used on your PFD.

Changing Unit Style

You can specify a different icon, name, or label starting number for any unit
operation. These changes affect all unit operations that you subsequently place
on the PFD.

Changing the Unit Icon Globally

To change the style of a unit globally:

Choose Options/Drawing Defaults/Unit Display from the menu bar.


The Unit Style window appears.

Chapter 12 CUSTOMIZING THE PFD WORKPLACE 375


Figure 12-1: Unit Style Window for Classes of Units

Select the type of unit operation you want to change.


Enter your changes for the label format and starting number.

The text portion to the left of the % sign is the label displayed with the unit
number. The label may not contain spaces or underscores. The integers
following d are appended to the automatically applied sequential unit numbers.
You may also choose the starting number for the particular unit. For example, if
the Auto Label Format for the Flash unit operation were FLASHUNIT%d05,
subsequent Flashes placed on the PFD would be labeled FLASHUNIT105,
FLASHUNIT205, FLASHUNIT305, and so forth.

You can also modify the type face and type size used in the stream label as
discussed below under the topic Changing the Default Font.

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Changing the Unit Icon for a Single Unit

You can specify a different display icon for any unit operation currently shown in
your flowsheet. Some unit operations can be represented by several different
icons. This choice is particularly useful when different variants of the same unit
operation are being modeled.

Note: Any icon available can be assigned to a User-Added Subroutine.

To change the style of a single unit:

Right-click on the icon of the unit you wish to modify. The unit menu
appears.

Figure 12-2: Unit Menu

Select Display... from this menu (or select Edit/Display Style from the
menu bar) to open the Unit Style window for the selected unit type as
shown in Figure 12-3.

Chapter 12 CUSTOMIZING THE PFD WORKPLACE 377


Figure 12-3: Display Style Window

Select an alternative icon from the palette at the top of the window.
Choose OK to confirm the change.

You can also change the type face, type size and color of the unit label by
choosing Select to access a standard font editing window.

Changing the Label for a Particular Unit

PRO/II automatically labels each unit you place it on the PFD. You can change
the label for each unit without altering the numbering sequence.

To change a unit label:

Double-click on the unit on the PFD.


Type over the existing Unit label in the data entry window.
Commit the change by pressing OK.

Changing Stream Style

You can modify stream appearance by changing:

The height and width of the arrows

378 PRO/II USER GUIDE JUNE 2006


The fill of the arrows
The segments on which the arrows appear
The label format
The starting number
The stream label location
The stream label border
The label type (name or list of properties)
The contents of the property list (material balance, gas report,
comparative molars rates, etc.).

To change the style of a stream:

Choose Options/Drawing Defaults/Stream Display from the menu bar


to open the Stream Style window.

Figure 12-4: Stream Style Window

By default, stream labels have rectangular borders and appear on the stream
line. (Optionally, you may select (1) diamond-shaped or circular label borders, or,
alternatively, no label border at all, and (2) the position of the label relative to the
stream.) Process stream arrows are not filled and appear only on the horizontal
segments of an orthogonal process stream. You can change the appearance of
the arrows and where the arrows appear on the process stream.

Chapter 12 CUSTOMIZING THE PFD WORKPLACE 379


Figure 12-5: Default Stream Style

Figure 12-6: Modified Stream Style

380 PRO/II USER GUIDE JUNE 2006


Changing the Label for a Particular Stream

PRO/II automatically labels each stream as it is placed on the PFD. You can
change the number or label for just one stream without altering the ongoing
numbering sequence.

To change a stream label:

Double-click on the stream to open the Stream Data window.


Alternatively, right-click on the stream and choose Data Entry.

Figure 12-7: Stream Data Entry Window

Enter the new stream name in the Stream entry field.

Displaying Stream Properties on Stream Labels

PRO/II allows you to display various stream properties on labels attached to the
streams on the PFD. Display options include:

Chapter 12 CUSTOMIZING THE PFD WORKPLACE 381


Selecting a global default property list for all stream labels in the
flowsheet
Choosing from a group of predefined property lists
Creating a custom stream label property list
Positioning stream property labels anywhere on or beside the streams on
the PFD
Choosing the type of border for any label
Choosing a different font for any label

To Select a Global Default Steam Property:

Choose Options/Drawing Defaults/Stream Display from the menu bar


to open the Stream Style window.
From the Stream Label Type drop-down list, choose the Properties
option.
Choose one of the predefined property lists and click OK to commit your
choice.

The property list that you have selected will appear on all streams subsequently
drawn on the PFD.

Creating a Customized Stream Property List

PRO/II allows you to create customized property lists for use in Stream Property
Tables. You can use the same property list in more than one simulation. The
default Stream Property Table is outlined by a single-lined rectangular box. You
may arrange the properties in any desired order, and you may separate entries
by single or double horizontal lines to improve the legibility of the list.

To select a property list:

Choose Options/Stream Property Lists from the menu bar to display the
Define Property List window (Figure 12-8).

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Figure 12-8: Define Property List Window

Select a list from the Property List box (Figure 12-9).

Figure 12-9: A Typical Property List

You can add or delete properties, modify the property description and
change the numerical format.

To create a property list:

Choose New from the Define Property List window. The New List
window appears.

Chapter 12 CUSTOMIZING THE PFD WORKPLACE 383


Figure 12-10: New List Window

Enter a name for the new list, or


Select the list from which you want to copy an existing property list.
Choose OK to commit the entries.

To add one or more properties to a list:

Select the desired properties. (The usual Windows click, shift-click and
control-click selection options are supported.)
Choose Add-> .

The selected properties will be added to the bottom of the property list.

To change the order of the properties in a list:

Select the properties you want to move.


Use the Up, Down, Top, Bottom buttons to move the selected properties.

To change the description or the format of a property:

Select the property you want to change.


Enter the new description and format in the entry fields under the
property list.
Commit the changes using the Replace button.

To delete a property from a list:

Select the properties you want to delete.


Choose Remove.

384 PRO/II USER GUIDE JUNE 2006


To clear (delete) all properties from a list:

Choose Clear.

To demarcate sections of a list:

Insert single or double horizontal lines where desired.

Positioning Stream Property Labels on the PFD

You may place stream labels on, above, below or beside the streams on the
PFD. The labels may appear with or without stems connecting them to the
streams.

To position stream labels:

Choose Options/Drawing Defaults/Stream Display from the menu bar.


Select the desired position from the Stream Label Location drop-down
list.
Click OK to commit your selection.

Alternatively, you may drag a stream label to any of these positions from the PFD
itself.

While in the Stream Styles window, you may also choose a text font and
a border style for the labels from the corresponding drop-down lists.

Toggle stream property list:

Select the table of properties to be included during the toggle action. User can
select a particular stream property table as the toggle stream property list. When
the user clicks the toggle button on the toolbar the stream label toggles between
the stream label type and the toggle stream label list. The default option for the
toggle stream list is "Property Label List"

Chapter 12 CUSTOMIZING THE PFD WORKPLACE 385


Figure 12-11: Toggle Stream Property List

User configured property lists will also be included in the drop-down list of toggle
stream property list and the same can be used to toggle between the existing
stream label and the toggle list.

Tooltip property list:

User can configure the tooltip feature using this list box. By default the Property
Label List acts as the tooltip option. This list box will help the user to configure
the property lists so that they can be used as tooltip displays.

User should select a particular property list from the tooltip property list box The
selected property list will be displayed as tooltip display, when the user hovers
the mouse pointer on the stream. User can also set this option to OFF so that
stream name will appear as tooltip display.

Modifying Drawing Preferences

Drawing preferences include settings for snap and move tolerances, zoom and
pan increments, the PFD palette icon, icon fill, unit snapping, and delete
confirmation.

To modify drawing preferences:

386 PRO/II USER GUIDE JUNE 2006


Choose Options/Drawing Defaults/General from the menu bar.
The General Drawing Defaults window appears with current settings. The
settings can be changed as desired.

Specifying a Default Editor

You can specify a default editor (such as Brief, Edit or Notepad) for use with
PRO/II to display output reports and keyword input files. Using the editor, you
can save any displayed text to a file or printer. The default editor is the
Programmers File Editor (pfe.exe).

To specify a default editor:

Choose Options/Editor from the menu bar to open the Set Text Editor
window.
Enter the full path name to the editor executable program file.

Figure 12-12: Set Text Editor

Changing the Default Font

The Default Font option enables you to set the default font, font style and size
used in PRO/IIs main and data entry windows. This option is useful if the default
font size for your system is too large for PRO/IIs data entry windows. Note that
you cannot change the fonts for the title, menu, and status bar text. Also,
changing the font size will not change the size of PRO/IIs windows.

To specify the default font:

Chapter 12 CUSTOMIZING THE PFD WORKPLACE 387


Choose Options/Font from the menu bar to display the Font specification
window.
Choose the desired font, font style, and size.

Figure 12-13: Font Window

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Index
Aligning Text, 77 Multivariable Controller, 265
Boiling Pot Reactor, 299 Objects
Border Handles, 13 Deselecting, 74
Bounding Box Flipping, 76
Changing the size, 83 Moving, 76
Moving, 83 Rearranging, 75
Calculator Resizing, 74
calculator, 150 Rotating, 76
cancel Selecting all, 73
Unit placement, 59 Selecting group, 73
Cancel Pan
Delete, 59 Left, Right, Up or Down, 83
Changing Window Size, 13 Panning, 81
Column, Side, 197 Phase Envelope, 268
Components, 26 Pipe, 273
Continuous Stirred Tank Reactor, 295 Pump, 288
Control Menu, 13 Reactor
Conversion and Equilibrium Reactors, Polymer Reactor, 278
294 Reactor, Batch, 307
Data Entry Window Buttons, 19 Report options, 361
Depressuring Unit, 219 Run/Results Buttons, 20
Dissolver, 224 Save
edit text, 77 Current Simulation, 32
Entering Text, 66 Save as dialog box, 33
Excel Unit, 225 Simulation to another name, 32
Expander, 231 Screen Color Coding, 14
Fill from Structures, 88 Scroll Bar
Fixed Properties, 105 Horizontal, 12
Flash, 233 Vertical, 12
Flash With Solids, 237 Scrolling
Floating Palettes. See increments, 79
Flowsheet Optimizer, 238 PFD, 79
Gibbs Reactor, 300 Select
Go To Buttons, 20 all objects, 73
Heat Exchanger, Lng, 244 Group of objects, 73
Heat Exchanger, Rigorous, 246 Multiple objects, 71
Heat Exchanger, Simple, 256 Set
Heating/Cooling Curves, 260 Breakpoints, 347
Help Button, 22 Setting Up the Printer, 374
Henrys Law, 116 Simsci Add-On Modules, 335
Importing a PRO/II keyword input file, 37 Simulation
Linked text, 97 Closing, 34
Menus, 14 Copy, 35
Minimize/Maximize Buttons, 13 Deleting, 34
Mixer, 264 Opening, 31
Multiple View and PFD Palette Buttons, Opening a existing simulation, 32
18 Save current simulation, 33

INDEX 389
Savings tp another file name, 33 Column, Batch, 171
Simulation defaults compressor, 200
Problem Description, 48 Controller, 205
Units of measure, 48 Crystallizer, 208
Simulation Defaults, 47 Distillation, 172
Snapping, 58 Unit Operations, 27
Solid Separator, 308 Units of Measure Library, 51
Splitter, 309 User defined special properties
Starting PRO/II, 9 Thermodynamic Data, 142
Stream Calculator, 311 User-Added Unit Operations, 167, 327
Stream Information, 27 User-defined Special Properties,
Stream Property, 44 139, 140
Temperature-Dependent Properties, Valve, 339
106 Vertical Scroll Bar, 12
Thermodynamic Methods, 26 View Buttons, 21
Toolbar, 18 Viewing Results, 349
Transport Properties, 120 VLE Tools Buttons, 20
turn off, 348 Water Decant Options, 121
Unit data entry window, 27 Window Position, 13
unit icon, 58 Wiped Film Evaporator, 340
unit label, 378 Zoom Area, 21
Zoom Increment, 80
unit opeartion
Zooming, 79
Cyclone, 212
unit operation, 148

390 PRO/II USER GUIDE JUNE 2006