Proii Workbook

PRO/II Workbook
GETTING STARTED
PRO/II Getting Started Workbook The software described in this document is furnished under a
License agreement and may be used only in accordance with the
terms of that agreement. Information in this document is subject
to change without notice. SIMSCI-ESSCOR assumes no liability
for any damage to any hardware or software component or any
loss of data that may occur as a result of the use of the informa-
tion contained in this document.
Copyright Notice Copyright 2004 SIMSCI-ESSCOR All Rights Reserved. No
part of this publication may be copied and/or distributed without
the express written permission of SIMSCI-ESSCOR, Rancho
Parkway South, Lake Forest, CA 92630.
Trademarks PRO/II SIMSCI, and SIMSCI-ESSCOR are registered marks of
SIMSCI-ESSCOR.
Windows, Windows 95, Windows NT, Windows 2000, Windowns
XP, and MS-DOS are registered marks and/or trademarks of
Microsoft Corporation.
All other products are trademarks or registered trademarks of
their respective companies.
Printed in the United States of America, April 2004.
Getting Started Workbook i
Contents
Introduction. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1
Launching PRO/II . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
Exploring the PRO/II Desktop . . . . . . . . . . . . . . . . . . . . . . 7
Simulation Made Easy . . . . . . . . . . . . . . . . . . . . . . . . . . . 14
Building the Process Flow Diagram (PFD) . . . . . . . . . . . 16
Setting the Input Units of Measure. . . . . . . . . . . . . . . . . . 18
Defining the Components . . . . . . . . . . . . . . . . . . . . . . . . . 21
Selecting the Thermodynamic Method. . . . . . . . . . . . . . . 34
Supplying Process Stream Data . . . . . . . . . . . . . . . . . . . . 43
Supplying Process Unit Operations Data . . . . . . . . . . . . . 65
Using Specification and Define Features . . . . . . . . . . . . . 77
Distillation Basics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81
Setting up a Case Study . . . . . . . . . . . . . . . . . . . . . . . . . . 99
Working with Keyword Input Files. . . . . . . . . . . . . . . . . 102
Running the Simulation . . . . . . . . . . . . . . . . . . . . . . . . . 103
Generating Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107
Customizing the Flowsheet. . . . . . . . . . . . . . . . . . . . . . . 113
Index . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119
Getting Started Workbook 1
Introduction
PRO/II is SIMSCI's steady-state flowsheet simulator, a product of four
generations of development. Like its predecessors, PRO/II is a steady-
state heat and material balance simulator - only better. PRO/II delivers
rigorous and comprehensive engineering power in an intuitive user envi-
ronment. The super-responsive graphical user interface gives PRO/II the
flexibility of a true Windows environment. PRO/II helps you solve the
widest range of industry applications with the greatest ease.
History of
PRO/II
SIMSCI designed its first flowsheet process simulator, SSI/100, after the
distillation program SP05. Marketed in 1974, SSI/100 had break-through
capabilities for its time.
A few years later, SIMSCI created the PROCESS simulation program.
PROCESS expanded the component and thermodynamic databases. It
added more unit operation calculations as well as flowsheet tools, like an
optimizer and a calculator, which has in-line FORTRAN capabilities.
This program made flowsheet simulators accessible, since it ran on
nearly every mainframe and personal computer. Engineer-friendly terms
became the standard for keywords and free formatting made data input
easier.
Nevertheless, PROCESS eventually bowed to progress. Over time, the
program's limitations became clear: it had a rigid architecture; it ran in
batch mode; it was not interactive.
PRO/II - The
Calculation
Engine
That is when SIMSCI created PRO/II - the calculation engine of the
future. It is easy to install on almost any computer. With a flexible archi-
tecture, PRO/II will adapt to future needs, since there is no limit to the
number of components, streams, units and recycle loops it can handle.
With larger component databanks and enhanced thermodynamic data
methods for chemical, refinery and gas processing systems, PRO/II gives
you many powerful options for simulating your systems.
PRO/II technology includes:
A state-of-the-art chemical distillation algorithm with reactive and
electrolyte distillation capabilities
Flexible and powerful refinery capabilities, including a flash-zone
model, two types of thermosiphon reboilers and multiple assay
blending options
2 Introduction
Regression and data management tools
Solids handling
Modeling ability for electrolyte-hydrocarbon systems
Flexible modeling capabilities for reaction kinetics
Advanced flowsheet sequencing capabilities
And much more.
PRO/II - The
Graphical
User Interface
The graphical user interface opens PRO/II's architecture to a true Win-
dows environment. This PROVISION interface displays your process
flowsheet diagram with unprecedented clarity and flexibility.
PRO/II features include:
Short learning curve because of its easy-to-remember color scheme
A true 32-bit Windows-based application
Multiple view windows on your flowsheet
Graphical output: phase envelopes, assay curves, column profiles,
etc.
Interactive execution
On-line help with hypertext jumps into the reference manual
Flash hotkey quickly determines feed stream phase compositions
Generate graphs, tables, and charts, and export your results to
Excel, AutoCAD and the Windows Clipboard
Flowsheet printing on multiple pages
OLE/DDE Functionality
And many more.
This comprehensive range of features enables your company to use one
simulator for all phases of business.
Where to Find Additional Help
Documents
User manuals are shipped with your copy of PRO/II. A complete set of
documents is provided on the CD in the form of .PDF files that are most
conveniently viewed using Adobe Acrobat Reader, supplied on the
installation CD. If you required additional manuals, contact your sales
representative.
Online Help
PRO/II comes with online Help, a comprehensive online reference tool
that accesses information quickly. In Help, commands, features, and data
fields are explained in easy steps. Answers are available instantly,
online, while you work. You can access the electronic contents for Help
by selecting Help/Contents from the menu bar. Context-sensitive help is
accessed using the <F1> key or the What's This? button by placing the
cursor in the area in question.
Technical
Support
PRO/II is backed by the full resources of Simulation Sciences Inc. (SIM-
SCI), a leader in the process simulation business since 1966. SIMSCI
provides the most thorough service capabilities and advanced process
modeling technologies available to the process industries. SIMSCI's
comprehensive support around the world, allied with its training semi-
nars for every user level, is aimed solely at making your use of PRO/II
the most efficient and effective that it can be.
SIMSCI offers technical support for PRO/II for all questions sent by fax,
E-mail or regular mail. In North America, call our hotline support at 1-
800-SIMSCI1. When contacting Technical Support, please include the
following in your correspondence:
Name and company, phone and fax numbers
Product version number
Problem description, including any error messages that you received
and the steps necessary to duplicate the problem
If you are e-mailing your problem, please include an electronic copy
of the .INP or .PRZ file.
When calling in a request, please have this workbook available and
be near your computer to be able to walk through any difficulties.
4 About This Workbook
About This Workbook
This workbook complements SIMSCI's Introduction to PRO/II training
course. Since much of the course time is dedicated to hands-on exam-
ples, you will not necessarily go through the document page by page.
The workbook does, however, follow the course sequence and you may
want to jot notes in the margin. We strongly recommend that you read
this workbook from cover to cover once and then use it to refresh your
memory later on.
Conventions
Before you begin this workbook, you should be aware of several conven-
tions. These include:
Text written in the SMALLCAPS style is used to denote unit operation
names. These items appear on the PFD palette. For example, FLASH,
OPTIMIZER, COMPRESSOR and STREAM PROPERTY TABLE.
Italicized text denotes menu items, dialog box names and fields, and
lists. For example, File, Save As..., the Source Data dialog box, and
Composition Defined.
Buttons within dialog boxes are represented as gray-filled boxes
with white overlaid text, such as , , and .
Text in < > brackets indicates keyboard strokes.
The , icon indicates a cautionary note or a useful tip.
SIMSCI has made great efforts to ensure that PRO/II is compliant with
Microsoft Windows. As a result, much of what follows will be familiar
to experienced Windows users.
Click, Highlight or Select: Place the pointer on the item and press the
left mouse button.
Double-click: Same as click except you press the left mouse button
twice with only a very short pause between clicks.
Open: To open a dialog box or object, place the pointer on the object
and click or double-click the mouse.
Drag: Move the mouse while holding the left button down
Specific PRO/II features include:
"..." Ellipses indicate items that, when selected, bring up a window
or dialog box, for example, and .
OK Status Add ->
Modify... Enter Data...
Underlined words that appear within non-Help windows denote
"linked text". Clicking on an underlined word will open a new win-
dow or dialog box. A good example of linked text appears in the
Flash Drum dialog box when you select Product Specification:
Parameter = value within the default tolerance
If you click on the word, value, for example, a dialog box will open
that allows you to enter a number.
Underlined words that appear in one of PRO/II's Help screens are
"jump text". If you click on the underlined text, you will jump to that
section of the Help documentation.
Dotted, underlined words that appear in PRO/II's Help screens pop-up
a short definition window when pressed. They differ from jump text
in that they do not change the current Help window, they simply add
an additional window to the screen.
,
Note: Save your work often! PRO/II does have an autosave feature
but you should still save regularly to the simulation database.
6 Launching PRO/II
Launching PRO/II
To initiate a PRO/II session:
Click Start on the taskbar, select Programs and then SIMSCI.
Click on PRO/II.
A Welcome to PROVISION dialog box appears describing how colors
indicate data entry status.
Figure 1:
Welcome to
PROVISION
Dialog Box
Click , then choose File from the menu bar.
The File menu is described below.
Table 1: File Menu Options
Option Function
New Initialize a new simulation
Open Open an existing simulation
Close Close the active simulation
Save/Save As Save the active simulation to a file with the same name, or to a new file
Delete Delete an existing simulation
Copy Create a new simulation as a copy of an existing one
Import Load a keyword input file into PRO/II
Export Export the active simulation to a keyword input file, or the flowsheet drawing
to the Clipboard, Autocad DXF, or Postscript file
Run Batch Run an existing keyword input file without loading it into PRO/II
Print/Print Setup Print the flowsheet drawing or output report
Exit Close the active simulation and exit the program
OK
Exploring the PRO/II Desktop
The visual engineering of PRO/II makes building a simulation easy.
Functional colors, menu-graphics and picture icons guide you every step
of the way. On-line references refresh your memory on equations and
guidelines. And if you encounter trouble, Help is available when you
need it.
Main
Window
The PRO/II main window, shown in Figure 2, is your primary work-
space. This window forms the interface between you and the PRO/II pro-
gram. This is where you will build and run all your simulations, as well
as open files, save the current data, or exit the program.
You will use all the familiar Windows features such as multiple views,
toolbar buttons, menus, dialog boxes, drop-down lists and hotkeys.
Figure 2:
PRO/II Main Window
8 Exploring the PRO/II Desktop
Menu Bar Directly below the title bar of the main PRO/II window you will find the
main menu bar. It gives you easy access to the command menus.
Many of same commands are available through the buttons on the tool-
bar.
Table 2: PRO/II Main Window Components
Component Description
Title Bar The window title contains the name of the current simulation and view.
Menu Bar All functionality can be accessed through the menus.
Toolbar Shortcut buttons for many commonly used PRO/II operations are
provided. These include data entry window buttons, pan and go-to buttons,
run function buttons and PFD tool and drawing buttons.
Primary Workspace This is where you draw your flowsheet. You can have multiple views of the
flowsheet open at the same time.
Scroll Bars The vertical and horizontal scroll bars enable you to move vertically and
horizontally through a window.
Status Bar The bar at the bottom of the window gives quick help on the highlighted
button or window.
PFD Palette Also known as the Unit Operations Palette, you use this to add unit
operations and streams to your flowsheet. You can show or hide this
palette and change its position on the screen.
Run Palette Use this palette to run your simulation interactively. You can show or hide
this palette and change its position on the screen. Usually, the shortcut
buttons on the toolbar are used instead.
Control-menu Box The standard Windows control-menu in the top left corner can be used to
move, resize or close the application window.
Table 3: PRO/II Menu Bar
Menu Main Functions
File File operations: open, close save, import, etc.
Edit Manipulate objects on the main window
Input Add input data - all data can be entered from this menu
Output Define, create and view simulation output
Tools Flash streams, binary VLE curves, output to spreadsheet
Draw Add text, lines or objects to the drawing
View Specify what appears on the main window
Options Customize the working environment
Window Create and manage views on the flowsheet diagram
Help Access the on-line help functions
Toolbar The toolbar appears just below the menu bar on the main PRO/II win-
dow. Using the mouse, you can initiate many actions by clicking the but-
tons on the toolbar.
If you have a low resolution screen, such as 640x480 VGA, you can
change this standard toolbar to the compact toolbar (which contains
fewer buttons) by selecting the Toolbar option on the View menu.
Table 4: PRO/II Toolbar Buttons
Button Description Button Description

Open a new flowsheet view
Search for a unit in the current
flowsheet

Hide or display the PFD palette
Search for a stream in the current
flowsheet
Provide a description for the
simulation

Flash the selected feed stream

Select units of measurement

Create a binary VLE plot

Select components

Run the simulation

Specify component data

Stop the simulation

Select thermodynamic methods
View the results for a selected unit
or stream
Specify assay cut point data and
characterization methods

Generate an output report

Define reaction data
Delete the currently selected
flowsheet object

Enter kinetic reaction procedures

Zoom in or out

Define a case study
Display the entire flowsheet in the
main window

Select calculation sequence
Zoom in on a region of the
flowsheet
Specify recycle convergence
options
Clear extraneous lines and dots
from your PFD

Display the pan view window
Display help for the selected object
(main window only)
Data Entry
Windows
PRO/II provides dialog boxes that allow you to enter data in a logical
manner. Throughout this workbook, you will see examples of data entry
windows. Within these dialog boxes, there are many different types of
data entry devices including check boxes, radio buttons and drop-down
lists.
Grayed buttons indicate that the feature is not currently available.
Color Cues PRO/II uses color cues to inform you of the status of your simulation.
Colors are used to indicate:
Completeness of data supplied for units, streams and overall simula-
tion parameters
Real-time execution status of each of the unit operations.
The significance of the colors you will encounter while working with
PRO/II are summarized below.
Table 5: Data Entry Window Buttons
Button Description
All data are saved and the dialog box is closed.
All data entered or modified are lost when the dialog box closes.
Displays context sensitive help for the active data entry field, or for the dialog
box itself (if there is no active field).
Displays the main help dialog box for the data entry window.
Displays the results of the data consistency checks performed for the main
dialog box.
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.
OK
Cancel
Help
Overview
Status
UOM
Define
Range
Table 6: Color Significance During Data Entry
Color Significance
Red Required data
Green Default data
Blue Data you have supplied or modified
Yellow Questionable data: supplied data value is outside the normal range
Gray Data field is not available to you
Black Data entry is optional
Palettes PRO/II provides two palettes: a PFD palette and a Run palette. Both are
displayed in Figure 2.
PFD Palette
You add unit operations and streams to the flowsheet with the icons on
the PFD palette. You can show or hide the PFD palette using the PFD
Palette button on the standard toolbar.
Run Palette
For most simulation calculations, the Run and Stop buttons on the tool-
bar, which start and stop the calculations, are all you will need. The Run
palette allows you to take more control of the calculations by calculating
units one at a time or introducing breakpoints.
Viewing the
Flowsheet
PRO/II allows you to pan over the flowsheet, search for a specific unit or
stream, and view multiple views of the same flowsheet.
Panning
You can pan the contents of the flowsheet using the Pan View window,
which is opened by clicking the Pan View button or by selecting View/
Pan View from the menu bar. This window gives a panoramic view of the
entire flowsheet. A bounding box identifies the area of the flowsheet vis-
ible in the active view. You can move the bounding box to view a differ-
ent region of the flowsheet, or you can change its size to adjust how
much of the flowsheet is visible in the active view.
Table 7: Color Significance During Execution
Color Significance
Pale Green Unit operation has not been calculate
Green Unit operation is in the process of being calculated
Blue Unit operation has been solved
Red Unit operation has failed to solve
Magenta Unit operation is at a breakpoint
Dark Blue Unit operation was solved in a previous run
Figure 3:
PFD with Pan View
Window
Searching for a Unit or Stream
PRO/II builds two lists to identify and locate flowsheet units and
streams. The Unit List stores unit operation names, while the Stream List
stores stream names. To search for a unit or stream, click on the appro-
priate Search for button on the toolbar, or select View/Unit List from the
menu bar. Highlight the unit or stream of interest. This centers the object
in the active view.
Multiple View Capabilities
If you have a large flowsheet, you may want to take advantage of
PRO/II's multiple view capabilities. With these capabilities, you can
view different portions of your flowsheet at the same time. To get an
additional view of your flowsheet, click the Multiple Viewport button on
the toolbar, or choose Window/New View from the menu bar. You can
change the region of the flowsheet, as well as the magnification level
without affecting the original flowsheet view.
The Window menu also contains options for cascading and tiling your
flowsheet views. Simply choose Cascade, Tile Horizontally, or Tile Ver-
tically from the Window menu. To change the active view, click on the
title bar of the desired view, or highlight the name of the view from the
Window menu.
Editing the
Flowsheet
You can use the options on the Edit menu to modify your flowsheet dia-
gram. Most of these commands are accessible upon selecting (highlight-
ing) one or more appropriate flowsheet objects. Table 8 describes these
Edit options in more detail.
Table 8: Edit Menu Options
Option Function
Undo Allows you to undo or redo the last action, if possible.
Cut Removes a single selected feed stream from the flowsheet. The cut
stream and its data are stored in the Clipboard.
Copy Copies selected stream data or stream property table data to the
Clipboard.
Paste Pastes feed stream data from the Clipboard into a flowsheet stream.
Paste Special Pastes feed or product stream data into a flowsheet stream.
Select All Selects (highlights) the entire flowsheet.
Select None Deselects all flowsheet objects.
Insert Object Inserts pictures or other objects onto the flowsheet.
Delete Deletes any highlighted object(s).
Rotate Rotates the selected object(s).
Flip Flips the selected object(s) either horizontally or vertically.
Restore Icon Size Restores the size of the selected icon(s) to their default size for the
current magnification level.
Align Text Left, right, or center justifies the selected text items.
Display Style Changes the style of a highlighted unit operation icon.
Reroute Redraws an unobstructed path for the selected flowsheet stream(s).
Collapse Collapses the selected units into one unit, as a block diagram (sub-
flowsheet).
Expand Expands a block diagram (sub-flowsheet), converting a single unit into
its components.
Rename Renames a block diagram (sub-flowsheet).
Move Up With an external feed or product stream selected in a sub-flowsheet, the
free end of this stream is moved up to the next flowsheet above the
current sub-flowsheet.
Move Down With an external feed into a sub-flowsheet or an external product stream
from a sub-flowsheet, the free end of the stream is moved down to the
sub-flowsheet. The stream no longer appears on the main flowsheet,
only in the sub-flowsheet.
14 Simulation Made Easy
Simulation Made Easy
Now you will learn how to set up simulations, run them, and analyze the
results with PRO/II. When setting up a simulation, you can supply data
in a number of ways. The color codes in PRO/II alert you when data are
required, marking the pathway towards a completed simulation.
A Systematic
Approach
Because some options depend on others, you should establish a routine,
logical approach for entering the data. For instance, you cannot enter the
stream composition or composition-based process specifications before
declaring the components in the process. You may want to change the
input set of units of measure before entering user-defined components
and streams. All calculations hinge on your choice of thermodynamic
methods.
When using PRO/II to develop a simulation, we recommend that you
follow these steps:
Build the Flowsheet
Draw your process flow diagram (PFD) by selecting and positioning the
unit operations. Next, draw the feed and product streams for each unit.
Often a product stream from one unit is the feed stream to another unit.
Entering such streams connects the flowsheet together and establishes
the transfer of information within the simulation.
Check the Input Units of Measure
Almost every quantity has a unit of measure. Initially the global default
for units of measure set is English. You can change this set for this simu-
lation only, or change the global default for all simulations. You can also
locally override individual dimensional units in data entry windows.
Build
the PFD
1
Check the
Units of
Measure
2
Define
the
Components
3
Select
the
Thermo
4
Supply
Stream
Data
5
Provide
Process
Conditions
6
Run
Simulation &
View Results
7
1
2
Define the Components
You can directly define your components by typing their library compo-
nent names, by selecting from lists of components, or by entering user-
defined components, pseudocomponents, solids with associated particle
size distributions, and polymer components.
Select the Thermodynamic Method
Selecting the proper thermodynamic methods is a critically important
step in the solution of a simulation. For most simulations, a predefined
set of thermodynamic methods for calculating K-values, enthalpies,
entropies, and densities can be used. PRO/II offers numerous categories
of method sets. Normally you will want to use one of the thermodynamic
systems in the list of Most Commonly Used methods.
Supply Process Stream Data
For feed streams, you must supply thermal conditions, flowrates, and
compositions for all external feed streams to the flowsheet. For assay
streams, you must input the thermal conditions, flowrates, distillation
curve data and average API or specific gravity. It is usually desirable,
although not necessary, to provide estimated data for recycle streams to
speed convergence of recycle calculations.
Supply Process Unit Data
Supply process data for each unit in your flowsheet. Unit operation iden-
tifiers for which data entries are needed are marked with red borders. To
enter information for a unit operation, double-click its icon to open the
Unit data entry window.
Run the Simulation and View the Results
Before you try to execute the simulation, check that there are no red-bor-
dered fields or red linked text. If all the borders are blue, green, or black
on the toolbar buttons, unit operation labels, and stream labels then you
have supplied enough information to run the flowsheet.
Output is written to the output (*.OUT) file. You can view your results in
a variety of ways ranging from plots and tables to pop-up windows with
values for each stream and unit.
The remaining chapters will explain each of these steps in extensive
detail.
3
4
5
6
7
16 Building the Process Flow Diagram (PFD)
Building the Process Flow Diagram (PFD)
The first step in any simulation, no matter how small or large, is to draw
the process flow diagram. While there is a close correspondence
between an actual flowsheet and its simulation flowsheet, there are some
notable differences. These are:
Time dependencies
Combined units
Time
Dependencies
Because PRO/II is a steady-state simulator, process equipment that con-
trol time-dependent phenomena are not directly relevant to your simula-
tion. The depressuring unit is the only exception. Omit units such as
control valves and instrumentation. However, consider the instrument
settings when you are deciding on the specifications to make in your
flowsheet.
Thus
simplifies to
All the control valves, pressure and temperature indicators have been
eliminated. You can also eliminate utility systems such as cooling water
(as here), steam and refrigerants from the simulation if you are only
interested in the duties they provide.
TI
TI
PI
PI
LC
LC LC
Combined
Units
Certain unit operations can be combined to simplify your PFD. For
instance, the COMPRESSOR unit in PRO/II includes an aftercooler and
most unit operations include a downstream separator.
Thus
becomes
The second compressor's aftercooler and separator have been eliminated
because they are incorporated in the COMPRESSOR model. The first com-
pressor's aftercooler has been eliminated but we cannot eliminate the
first separator because of the recycle from the second compressor.
Flowsheet
Defaults
Figure 4 shows the default stream designations for the simple heat
exchanger, the flash drum, and the column unit in PRO/II.
Figure 4:
PRO/II Unit Defaults
18 Setting the Input Units of Measure
Setting the Input Units of Measure
Almost every item of data you will enter in PRO/II will have Units of
Measure. For simplicity, units of measure in PRO/II have been arranged
into three standard pre-defined sets: English, Metric and SI. You select
the set that nearest matches the needs of your simulation and then over-
ride the pre-defined units for individual quantities. For example, you can
select the Metric Set and override the Celsius temperature unit with
Kelvin.
You can set the units of measure on a global, simulation, and/or field
level.
Simulation
Defaults
The easiest and most efficient way to enter data involves setting the input
units of measure for the active single simulation, and then proceed to
change the units of measure for a specific field of a unit dialog box, if
necessary.
To change the default units of measure set for a simulation, click the
Units of Measure button on the toolbar to open the Default Units of Mea-
sure dialog box.
Figure 5:
Default UOM for
Problem Data Input
Dialog Box
To change the default set, click , select a
set, and click .
Make any changes to individual units, as desired.
Initialize from UOM Library
OK
You can also use this dialog box to override the true vapor pressure tem-
perature basis, the Reid vapor pressure calculation method, and standard
vapor conditions.
UOM Library
You can define and save your own customized sets by selecting Units of
Measure Lists from the Options menu.
Global
Defaults
By default, the standard English set is the global default used to start
each simulation. You can change this global default with your own mod-
ified set so that every subsequent simulation starts with that set.
Select Simulation Defaults/Units of Measure from the Options menu
and select your set from the list.
Figure 6:
Default Sets of Units
of Measure
Output Units of
Measure
Normally, the output report is in the same units as the input set. How-
ever, you can define a different set of units for the output.
Select Simulation Defaults/Units of Measure from the Options menu
and select from the lists.
If you do want output in a different set of units it is good practice to get it
in the input unit set as well, so that you can check the correctness of your
input data.
Select Same as Input for the First Output and your required output
set for the Second Output.
Changing
the UOM for
a Single
Field
When entering data in a data entry window, you can still enter individual
data items in any appropriate unit.
Place the cursor in the field for the item whose units you want to
change.
Click at the top of the dialog box to open the Convert Units of
Measure dialog box.
UOM
20 Setting the Input Units of Measure
Here you can choose to change the units and retain the value you entered
in the field, or to convert the value to the new units.
Figure 7:
Convert Units of
Measure Dialog Box
Notice, however, that the next time you open the data entry window the
value will have been converted to the defined global unit of measure.
Standard
Sets
The units of measure in the standard sets are shown below.
Table 9: Standard Units of Measure
English Metric SI
Temperature F C K
Pressure psia kg/cm
2
kPa
Weight lb kg kg
Time hr hr hr
Length ft m m
Fine Length in mm mm
Velocity ft/sec m/sec m/sec
Energy Btu kcal kJ
Work hp kW kW
Duty 10
6
Btu/hr 10
6
kcal/hr 10
6
kJ/hr
Heat Transfer Coefficient Btu/hr-ft
2
-F kcal/hr-m
2
-C kW/m
2
-K
Thermal Conductivity Btu/hr-ft-F kcal/hr-m-C W/m-K
Viscosity cp cp Pa-sec
Kinematic Viscosity centistoke centistoke centistoke
Surface Tension dyne/cm dyne/cm N/m
Liquid Volume ft
3
m
3
m
3
Vapor Volume ft
3
m
3
m
3
Petroleum Density API gravity kg/m
3
kg/m
3
Defining the Components
Types of
Components
In PRO/II, you can enter the chemical species, or components, that exist
in the flowsheet in six ways:
As library components
As petroleum components (or an assay curve)
As user-defined components
As solid components
As polymer components
As ionic components
Library
Components
The PRO/II component libraries provide easy automatic access to prop-
erty data for nearly 2000 pure components. When running a simulation,
you can retrieve the thermophysical properties for a library component
from the PRO/II database simply by using an access name or alias. Many
components have more than one alias. For example, you can retrieve
information on methane, using any of the following:
C1
CH4
METH
METHANE.
PRO/II contains extensive component databanks as well as comprehen-
sive methods for component property prediction. In general when
PRO/II retrieves component data from one of its libraries, it also
retrieves the necessary component properties to successfully complete
your simulation. If PRO/II has incomplete property information for a
particular component, you can either "fill in the gaps" with established
property prediction methods that are based on structural data or input
your own component property data.
,
Note: As a general rule, if you have water in your system, it is wise
to add it as the first component.
22 Defining the Components
Click the Component Selection button on the toolbar or select Input/
Component Selection from the menu bar and select your components
using the Component Selection dialog box.
Figure 8:
Component Selection
Dialog Box
If you don't know the exact name or alias of a desired component, you
can click and search through the available lists.
Figure 9:
Component Selection
- List/Search Dialog
Box
Components are listed alphabetically, and then by case. For example, the
component ammonia (NH
3
) would be listed as H
3
N. Calcium would be
listed as Ca, not CA.
Select from Lists...
Databanks
The PRO/II component library is actually a composite of several estab-
lished databanks.
By default, PRO/II searches the PROCESS databank first and the
SIMSCI databank second. All the components in the PROCESS data-
bank are in the SIMSCI databank. To change the order in which PRO/II
searches for your components, click in the Com-
ponent Selection dialog box.
Petroleum
Components
A component breakdown for petroleum-based streams, such as crude oil,
is difficult to obtain, because they contain thousands of distinct com-
pounds. Usually these hydrocarbon streams are characterized in terms of
laboratory test data (known as assay data). This typically includes distil-
lation data, gravity data, and an analysis of the low-boiling pure compo-
nents (the lightends). PRO/II derives a set of petroleum components
from this assay data by using industry standard characterization tech-
niques. These derived components are used to model the streams given
by assay data. This technique is discussed in the Process Stream chapter.
PRO/II allows you to enter individual petroleum components, which are
represented as cuts or sections of a hydrocarbon stream with defined
average boiling points, specific gravities, and other thermophysical prop-
erties. You can define individual components as petroleum components
by specifying at least two of the following three properties for each com-
ponent:
Normal boiling point
Gravity
Molecular weight.
Click in the Component Selection dialog box and enter
the data.
You can provide names for the individual cuts, or have PRO/II define
names based on the cuts' NBPs.
Table 10: Pure Component Databanks
Bank Description
PROCESS The PROCESS pure component databank.
SIMSCI The SIMSCI pure component databank.
DIPPR The AIChE DIPPR databank, available as an optional PRO/II add-on.
OLI The OLI databank, available as an optional PRO/II add-on.
bankid User databank, created and maintained using the Property Library Manager.
Databank Hierarchy...
Petroleum...
Typically, normal boiling point and gravity data are available to define
petroleum components and assays. If you do not supply the molecular
weight for a petroleum component, PRO/II uses a method developed by
SIMSCI to estimate molecular weight. This method is most effective for
components within the 300F to 800F boiling temperature range and is
based on the Watson K-factor. In order to ensure accurate characteriza-
tion, you should supply the molecular weight, especially if the PRO/II
correlation range is not valid for your data.
PRO/II generates all other properties using methods in the API technical
databook. You can select these methods or have PRO/II use default
methods for all component properties required for the simulation. If you
want to change the methods used, click the Assay Characterization but-
ton on the toolbar or select Input/Assay Characterization from the menu
bar, then click .
Petroleum components are useful in PRO/II simulations. Here are a few
examples:
You should save petroleum components that have been characterized
from assay data in a previous run, if you intend to run the simulation
often, since this will reduce run time.
If you lack adequate assay data for environmental applications, you
can choose to model heavy hydrocarbon contaminants as petroleum
components.
Some companies process their own assay streams because they have
proprietary procedures for calculating properties such as molecular
weight. In this case, instead of entering assay data you can directly
enter the petroleum components and any other proprietary thermo-
physical properties (e.g., critical properties).
When simulating a process with primarily light hydrocarbons, you
may want to use a petroleum component to represent all of the
hydrocarbon components that are heavier than a certain defined
component. This is often the case in gas processing applications
where the majority of components are typically C5 or lighter.
Characterization Options...
,
Note: If you lump the heavy components of a mixture into a single
petroleum component, you will most likely lose accuracy.
Since the dew point is very sensitive to the heavy components
in a mixture, the lumping together of heavy components should
be minimized in simulations where the dew point is important.
User-defined
Components
For the vast majority of PRO/II simulations, you will select components
from the pure component library or define them as petroleum fractions.
Occasionally you may want to use a component not in the PRO/II
library. In this case you must supply all the properties that the simulation
requires. These will depend on the needs of the thermodynamic system
you select and the unit operations you use. For example, if you have a
rigorous heat exchanger in the flowsheet you will need to supply trans-
port property data.
Click in the Component Selection dialog box and
name your component.
Click the Component Properties button on the toolbar and from the
Component Properties dialog box open the Fixed Properties and
Temperature Dependent Properties dialog boxes to enter the proper-
ties (or to replace data for individual properties of a library compo-
nent).
Figure 10:
Component
Properties Dialog Box
Property Prediction
Whether you are supplying a user-defined component or supplementing
property data for an existing component, the quality of the results is sig-
nificantly enhanced if you use reliable experimental data. If such data are
insufficient or unavailable, you can access the property prediction capa-
bilities of PRO/II. These estimation methods are valid for organic com-
ponents that have molecular weights below 400 and fewer than 20
unique structural groups. Click in the Component
Properties dialog box to select the component(s) you want filled then
click to define the UNIFAC groups.
User-defined...
Fill from Structure...
UNIFAC Structures...
Solid
Components
If some of your components exist in the solid phase you must identify
them as solid, liquid-solid or vapor-liquid-solid.
Click in the Component Selection dialog box.
By default, all non-library components are vapor-liquid. Solid library
components default to the correct phase. All properties are entered in the
same dialog boxes as for user-defined components.
If a component is molecular, you must enter its molecular weight. If it is
a non-molecular component, it can exist in only the solid phase.
Particle size distribution is a property of a stream and is explained in the
Process Stream chapter. However, you must first specify size intervals.
Click on the Component Properties dialog
box and enter distribution ranges.
Polymers Polymers are very high molecular weight, long-chain components made
up of various combinations of monomer units with a recurring chemical
structure. Using the optional Polymer add-on module, you can define the
structure of polymer segments and specify how polymer components are
constructed from these segments. The van Krevelen group contribution
method is used to predict the thermophysical properties of polymers on
the basis of the individual structural groups.
In the Component Selection dialog box, click to define
polymer components and polymer segments.
Enter particle size distribution data for polymer components in the
same way as for solid components. In the Component Properties dia-
log box, click .
Table 11: Component Property Data Required for Solid Components
Property Solid Liquid/Solid
Vapor/Liquid/
Solid
Solid Specific Heat or Solid Enthalpy Required Required Required
Solid Density Required Required Required
Molecular Weight Conditional Required Required
Normal Melting Point Conditional Conditional
Heat of Formation (L or S) Conditional Conditional
Specific Gravity Required Required
Liquid Enthalpy Required Required
Liquid Density Required Required
Heat of Fusion Conditional Conditional
Conditional means that it may be required by some unit operations.
Component Phases...
Particle Size Distribution...
Polymer...
Distribution Functions...
Ionic
Components
Electrolyte models are available in an optional add-on module to simu-
late aqueous systems in a wide range of industrial applications. The
models apply to fixed component lists with a pre-defined set of thermo-
dynamic methods for K-values, enthalpies and densities.
Component
Properties
Components in a PRO/II databank have a full range of properties. Com-
ponent properties fall into six categories:
Fixed properties
Temperature-dependent properties
User Defined and Refinery Inspection properties
Solid properties
Polymer properties
Structure data
The pure component properties that you need to run a simulation may
depend upon the selected thermodynamic method. The required proper-
ties are listed for each method in the Thermodynamic Methods section of
the PRO/II Reference Manual.
Following are a few of the most important data requirements:
With the exception of components declared to exist only as solids,
all components must have a molecular weight and a specific gravity
(which can be alternatively supplied as an API gravity or standard
liquid density).
For calculations with an equation of state method (such as Soave-
Redlich-Kwong or Peng-Robinson), PRO/II requires the critical
temperatures and critical pressures of the components. Each compo-
nent also requires either an acentric factor or a correlation for the
equation's alpha parameter.
K-value calculations with liquid activity coefficient methods (such
as NRTL and UNIQUAC) require pure component vapor pressures.
Several of these methods also require other properties such as liquid
molar volumes, solubility parameters, or van der Waals area and vol-
ume parameters.
All enthalpy and entropy methods require ideal gas enthalpies for
each component, with the exception of the Ideal and Johnson-Gray-
son methods.
The Ideal method for liquid enthalpy requires the enthalpy of the sat-
urated liquid. Use of this method for vapor enthalpies requires satu-
rated liquid enthalpies, plus the latent heat of vaporization for each
component. Ideal liquid densities require saturated liquid densities.
Again, in most cases, you do not need to worry about such requirements
because the components retrieved from PRO/II's databanks will have
sufficient data for any thermodynamic method.
Fixed
Properties
To display the fixed properties of the selected components in your simu-
lation, click in the Component Properties dialog box. Here,
you can enter user-defined component properties or replace data for
library components. Table 12 displays the sub-dialog box in which each
property is located.
Table 12: Location of Fixed Properties
Property Dialog Box / Sub-Dialog Box
Acentric Factor Fixed Properties / Miscellaneous Properties
Carbon Number Fixed Properties / Miscellaneous Properties
Critical Compressibility Factor Fixed Properties / Critical Properties
Critical Pressure Fixed Properties / Critical Properties
Critical Temperature Fixed Properties / Critical Properties
Critical Volume Fixed Properties / Critical Properties
Dipole Moment Fixed Properties / Molecular Constants
Enthalpy of Combustion Fixed Properties / Miscellaneous Properties
Enthalpy of Fusion Fixed Properties / Miscellaneous Properties
Gibbs Energy of Formation Fixed Properties / Heats of Formation
Freezing Point (Normal Melting Point) Fixed Properties / Miscellaneous Properties
Gross Heating Value Fixed Properties / Miscellaneous Properties
Heat of Formation Fixed Properties / Heats of Formation
Heat of Vaporization Fixed Properties / Miscellaneous Properties
Hydrogen Deficiency Number Fixed Properties / Miscellaneous Properties
Liquid Molar Volume Fixed Properties / Miscellaneous Properties
Lower Heating Value Fixed Properties / Miscellaneous Properties
Molecular Weight Fixed Properties
Normal Boiling Point Fixed Properties
Rackett Parameter Fixed Properties / Miscellaneous Properties
Radius of Gyration Fixed Properties / Molecular Constants
Solubility Parameter Fixed Properties / Miscellaneous Properties
Specific Gravity Fixed Properties
Triple Point Pressure Fixed Properties / Miscellaneous Properties
Triple Point Temperature Fixed Properties / Miscellaneous Properties
van der Waals Area and Volume Fixed Properties / Molecular Constants
Fixed...
Temperature-
Dependent
Properties
You can enter the temperature-dependent properties given in Table 13
below in either tabular or equation form. Extrapolation of temperature-
dependent properties outside the user-defined temperature limits is per-
formed linearly, except for vapor pressure and viscosity, which are
extrapolated as ln(property) versus the reciprocal of the absolute temper-
ature. These methods are also used for interpolation and extrapolation of
tabular property data and for extrapolation of the temperature-dependent
property correlations retrieved from PRO/II's databanks.
Click in the Component Properties dialog
box.
Click the appropriate button to enter user-defined component proper-
ties or to replace data for library components.
You can also view correlation coefficients and generate graphical plots
of temperature dependent property data. These plots are displayed in the
Plot Viewer. Each plot generated is shown in a new window, allowing
multiple plots to be displayed simultaneously. PRO/II plots can be
exported to other external applications (for example, Microsoft Excel).
Select the Phase by clicking the appropriate button.
Select Correlation Coefficients (default) and click to
display the coefficients.
Table 13: Location of Temperature Dependent Properties
Property Button
Enthalpy of Vaporization

Ideal Vapor Enthalpy

Liquid Density

Liquid Thermal Conductivity

Liquid Viscosity

Saturated Liquid Enthalpy

Solid Density

Solid Heat Capacity

Solid Vapor Pressure

Surface Tension

Vapor Pressure

Vapor Thermal Conductivity

Vapor Viscosity

Temperature Dependent...
Enter Data...
Figure 11:
Correlation Selection
Dialog Box
To view a plot, click and select the type of plot you
want. For example, Figure 12 shows a plot of the vapor pressure of
butane.
Figure 12:
Vapor Pressure of
Butane Plot
You can view the plot in any desired unit of measure.
View Curve...
Refinery
Inspection
Properties
You can enter global data for Refinery Inspection Properties by clicking
in the Component Properties dialog
box. These global data will be used for all thermodynamic systems but
can be overridden in each thermodynamic system.
A refinery inspection property will not be calculated unless a method is
selected for it during thermodynamic data entry.
User-Defined
Properties
You can enter global data for user-defined properties by clicking
in the Component Properties dialog
box. These global data will be used for all thermodynamic systems but
can be overridden in each thermodynamic system.
Solid
Properties
All solid properties, fixed and temperature-dependent, are entered in the
same dialog boxes as for user-defined components.
Polymer
Properties
Click on the Component Selection dialog box to define
polymer components and polymer segments. Enter particle size distribu-
tion data for polymer components in the same way as for solid compo-
nents. Click in the Component Properties
dialog box to enter distribution function data for polymer components.
Structure Data Click in the Component Properties dialog box to
define UNIFAC structures for selected components.
Accessing
Property
Data with
DATAPREP
Within PRO/II you are limited to examining either the fixed component
properties given in the printout, or those which can be viewed through
the Component Properties dialog boxes. However, DATAPREP provides
you quick and total access to the PRO/II component database without
having to set up and run a simulation. Using the menu-driven interface of
DATAPREP, you can view fixed and descriptive properties as well as
temperature-dependent properties in tabular and graphical forms for all
the components in the PRO/II databanks. DATAPREP also contains the
following pure component fixed properties:
Lower flammability limit
Upper flammability limit
Auto-ignition temperature
Flash point.
Refinery Inspection Properties...
User-defined Special Properties...
Polymer...
Furthermore, unlike PRO/II, DATAPREP gives information regarding
the accuracy and source of the component data, as well as the tempera-
ture limits for the temperature-dependent correlations.
DATAPREP also gives you the option of viewing properties for families
of components. You can view this data as either tables or graphs. Figure
13 shows a plot of vapor pressure versus temperature for a family of
alcohols. The axes have been set to plot vapor pressure (on a logarithmic
scale) versus inverse temperature. The top curve corresponds to metha-
nol, followed by ethanol, and then the remaining alcohols by increasing
carbon number.
Figure 13:
Vapor Pressure for
Family
of Alcohols
Figure 14 further illustrates the type of graphical information that
DATAPREP provides for pure library components. This graph com-
pletely describes the range in enthalpy of water from the solid to ideal
gas phase, and includes several distinct stages, which are described
below:
1. The diagram starts at the bottom, far left, with the solid enthalpy
curve.
2. The first vertical line (at the melting temperature) equals the heat of
fusion and marks the transition from the solid to the liquid phase.
3. The liquid line then continues to the right until it reaches the critical
temperature.
4. At the critical temperature the liquid enthalpy curve makes a contin-
uous transition back to the left along the vapor line.
5. The vertical line connecting the liquid and vapor curves represents
the heat of vaporization at the normal boiling point.
15 20 25 30 35 40
0.0001
0.001
0.01
0.1
1
10
100
1000
10000
(10E- 4)
(10E+ 3)
1/T (1/K)
V
A
P
O
R

P
R
E
S
S
U
R
E

(
N
/
m
^
2
)
0 :METHANOL 1 :ETHANOL 2 :n-PROPANOL 3 :n-BUTANOL 4 :1-PENTANOL
5 :1-HEXANOL 6 :1-HEPTANOL 7 :1-OCTANOL 8 :1-NONANOL 9 :1-DECANOL
5
4
3
2
1
0
6
7
8
9
Figure 14:
Enthalpy Curve for
Water
Component
Data
Printout
In the Component Data section of the output file (.OUT), each compo-
nent defined in the simulation is listed, along with its component and
phase type, and nine associated fixed properties. These include: molecu-
lar weight, API, NBP, critical temperature, critical pressure, critical vol-
ume, acentric factor, heat of formation, and Gibbs free energy of
formation.
-500 -250 0 250 500 750
-80
0
80
160
240
320
(10E+ 2)
Temperature F
E
N
T
H
A
L
P
Y

B
T
U
/
l
b
m
o
l
Heat of Vaporization
at NBP
Saturated
Vapor Curve
Ideal Gas
Curve
Critical Point
Saturated Liquid Curve
Solid Curve
Heat of Fusion
at NMP
E
n
t
h
a
l
p
y

(
B
t
u
/
l
b
-
m
o
l
)
(F)
34 Selecting the Thermodynamic Method
Selecting the Thermodynamic Method
Selecting the appropriate thermodynamic method for your flowsheet is a
critically important decision. Obviously, if you choose a thermodynamic
system that cannot accurately model the phase behavior of the process,
the simulation results will be invalid.
Inappropriate choice of thermodynamic model is the largest single
source of error in process simulation and it is always a good idea to ver-
ify your selection of a thermodynamic system by comparing simulation
results with actual plant operating data. Since it is not possible to
develop a single thermodynamic method to model all chemicals under
all conditions, PRO/II uses several different models. Each works well in
some situations and poorly in others. It is up to you to select the most
appropriate methods for your particular flowsheet. Polar components at
high pressure should not be simulated with a thermodynamic method
that was designed to model low pressure hydrocarbons. Just because a
computer reports convergence to great precision does not mean you
should believe that the answers accurately model your actual process.
Use your experience and engineering judgment to check that results are
reasonable.
Properties
and Systems
PRO/II offers numerous methods for calculating thermodynamic proper-
ties. Generally you must select methods for calculating these thermody-
namic properties:
Equilibrium K-values
Enthalpies
Entropies
Densities.
In PRO/II, thermodynamic methods are arranged into systems. When
you choose a thermodynamic system, PRO/II will provide default meth-
ods for each of these thermodynamic properties. You can override these
defaults. For example, if the Soave-Redlich-Kwong thermodynamic sys-
tem is selected, the default liquid density method is API. You can replace
this with another method, for example, Lee-Kesler, should you feel Lee-
Kesler will predict the liquid densities more accurately for your simula-
tion.
Click the Thermodynamic Data button on the toolbar or select Input/
Thermodynamic Data... from the menu bar.
Click on a Category and choose a Primary Method from the selec-
tion shown.
Transfer your choice by clicking .
Figure 15:
Thermodynamic
Data Dialog Box
To change a default, click in the Thermodynamic Data
dialog box and make the desired changes.
Figure 16:
Modification
Dialog Box
The thermodynamic methods available in PRO/II can be classified into
seven categories:
Ideal methods
Generalized correlations
Equations of state
Liquid activity methods
Add ->
Modify...
Special packages
Electrolytes
Polymers.
Ideal Methods
Ideal methods calculate the mixture properties as weighted sums of the
pure component properties. Each component's contribution is propor-
tional to its quantity in the mixture. While ideal methods often provide
good approximations for enthalpies and densities, more sophisticated
methods are almost always required for K-values.
Generalized Correlations
Generalized correlations are empirical or semi-empirical methods,
mostly based on the principle of corresponding states. They generally do
not contain any adjustable binary parameters and are primarily useful for
nonpolar hydrocarbon mixtures. Examples of generalized correlations
include the Braun K-10 (BK-10) and Grayson-Streed (GS) methods.
Equations of State (EOS)
Equations of state are mathematical expressions relating the density,
temperature, pressure, and composition of a fluid. From an equation of
state, you can calculate component K-values as well as the departures of
enthalpy and entropy from their ideal gas values. Well-known examples
of equations of state are the ideal gas law and the Van der Waals equa-
tion. More modern equations of state include the Soave-Redlich-Kwong
(SRK) and Peng-Robinson (PR) equations. These equations often
involve the use of binary interaction parameters (usually denoted by k
ij
)
to account for interactions between different components. These param-
eters can be:
Obtained from PRO/II's databanks or internal estimation techniques
Supplied by the user
Fit to experimental data.
The basic SRK and PR equations are useful for systems of nonpolar
hydrocarbons; more sophisticated modifications are available to better
represent systems containing polar components and to calculate rigorous
vapor-liquid-liquid equilibrium.
Liquid Activity Coefficient Theory (LACT) Methods
LACT methods calculate K-values by starting with an ideal solution and
correcting the result with activity coefficients. The activity coefficients
are calculated from a model for the excess Gibbs energy of the liquid
mixture. The most commonly used methods are NRTL and UNIQUAC.
Binary interaction parameters are usually necessary. They can be:
Obtained from PRO/II's databanks
Estimated using the UNIFAC method
Supplied by the user
Fit to experimental data.
Dissolved gases can be modeled with Henry's Law, and a heat of mixing
option can be used to correct for nonideality in the liquid enthalpy. If the
necessary parameters are available, LACT methods can successfully
describe a wide variety of nonideal mixtures (particularly mixtures of
components having similar volatility) including mixtures exhibiting two
liquid phases.
Special Packages
PRO/II contains several special packages designed for thermodynamic
calculations on specific systems. These include:
The Glycol package uses the SRKM method to calculate phase equi-
libria for glycol dehydration applications.
The Sour package and the GPA Sour Water package were developed
for sour water applications.
The Amine package can be used to model the removal of H
2
S and
CO
2
from natural gas streams using aqueous amine systems.
The Alcohol package uses the NRTL liquid activity method to calcu-
late phase equilibria for systems containing polar compounds, such
as alcohols and water.
Electrolytes
A special add-on of PRO/II is available for systems in which aqueous
electrolyte chemistry is important. Consult your SIMSCI representative
for further details.
Polymers
The polymers add-on provides special thermodynamic packages which
are calculated by a variety of empirical methods including three activity
coefficient K-value models using ideal enthalpy and density and two
equations of state which predict all the required thermodynamic proper-
ties.
Transport
Property
Methods
All simulations require selection of a thermodynamic method. Some also
require transport properties, which are accessed through the Modifica-
tion dialog box by clicking .
The unit operations that need transport properties are:
Column (hydraulics)
Pipe
Rigorous heat exchanger
Dissolver
Depressuring unit
Output tables.
Transport properties include:
Viscosity
Thermal conductivity
Liquid diffusivity
Surface tension.
Four calculation methods are available for computing transport proper-
ties:
Pure
Petroleum
Trapp
User-defined.
The Pure option applies simple mixing rules to the temperature-depen-
dent pure component values available in the selected databanks to calcu-
late mixture transport properties. Saturation values are not pressure
corrected. The Petroleum method uses predictive correlations, including
pressure corrections, that apply to bulk hydrocarbon mixtures. The Trapp
option uses a one fluid conformal model to calculate vapor and liquid
viscosities and thermal conductivities for hydrocarbons; it uses the
Petroleum method to calculate surface tension. The User-defined option
allows you to provide up to five subroutines to compute transport proper-
ties.
Transport Properties...
PRO/II provides a default method for each transport property when you
select a transport method (except User-defined). You can choose to over-
ride these methods if necessary. For example, you can select the API
Technical Data Book liquid viscosity method to replace the default Pure
liquid viscosity method. Refer to the PRO/II Reference Manual and the
PRO/II Application Briefs Manual for selection of the proper transport
property method.
Water
Handling in
Hydrocarbon
Systems
PRO/II can perform three-phase flash calculations for hydrocarbon-
water mixtures. These calculations can be conducted either rigorously
using VLLE thermodynamics or semi-rigorously using VLE thermody-
namics with the water decant option.
Water Decant Option
The free water option is a convenient, efficient method to simulate the
three phase behavior of hydrocarbon-water systems. This option should
be used when the solubility of hydrocarbons in the liquid water phase is
small and not important for the simulation. There are two product
streams: the first is a liquid hydrocarbon phase with dissolved water, the
second is a free water phase. The free water phase contains no dissolved
hydrocarbons or light gases. If the amount of dissolved hydrocarbons in
the water phase is important (for example, an environmental compliance
application), use a rigorous three-phase calculation, such as SRKM or
SRKKD.
Using the free water option will result in a semi-rigorous three phase cal-
culation. The vapor phase is saturated with water at a fixed pressure, and
water is dissolved in the hydrocarbon liquid up to its solubility limit.
Any remaining water is decanted as a pure water phase. PRO/II com-
putes the solubility of water in the hydrocarbon-rich liquid phase using
one of its three water solubility correlations:
SIMSCI (based on SIMSCI proprietary methods)
KEROSENE (based on the data for the solubility of water in kero-
sene from API Technical Data Book Figure 9A1.4)
EOS (based on computing the water K-value with the equation of
state as the VLE K-value method).
A pure water liquid phase is formed when the partial pressure of water
reaches its saturation pressure at the flash temperature. Details of the cal-
culation are given in the PRO/II Reference Manual.
Click in the Modification dialog box to switch on
water decanting and to select the solubility calculation method.
Water Options...
Rigorous Vapor-Liquid-Liquid Equilibrium (VLLE) Calculations
Some thermodynamic systems have the ability to model VLLE as well
as VLE systems. PRO/II can perform rigorous three-phase equilibrium
calculations using the FLASH unit if you select the VLLE option for such
a thermodynamic system. Rigorous thermodynamic calculations can
predict the existence and compositions of two immiscible liquid phases.
In this case, the second product stream is designated as the second liquid
phase.
For a hydrocarbon-water system, the water product stream is no longer
pure, it does contain some dissolved hydrocarbon. This liquid water
phase is considered as the denser of the two liquid phases.
A discussion on selection of the appropriate thermodynamic set for
three-phase systems is given in the PRO/II Reference Manual.
Solid-Liquid
Equilibrium
Solid-liquid equilibria can be used with all thermodynamic systems. The
van't Hoff solubility method calculates solid-liquid equilibrium K-values
for nearly ideal non-electrolyte systems. The solute and solvent should
be of a similar chemical nature. Select this method from the K-value
(SLE) list on the Modification dialog box.
Alternatively, you can enter solubility data correlated as a function of
temperature. Select User-supplied Data from the K-value (SLE) list on
the Modification dialog box, and click .
Precipitation of solid salts and minerals from aqueous solutions can be
calculated rigorously using the PRO/II Electrolytes add-on module.
Application
Examples
Table 14 shows some applications for the most common forms of ther-
modynamic methods.
Enter Data...
Table 14: Thermodynamic Methods and Application Examples
Form Application Examples of
Thermodynamic
Method
Generalized
Correlation
Low pressure crude systems involving heavy
hydrocarbons: vacuum and atmospheric crude
towers
BK-10, GS, IGS
Equation of State Light hydrocarbon systems, hydrogen-rich
systems: reformers and hydrotreaters
SRK, PR
Liquid Activity
Coefficient Method
Non-ideal chemical systems: aromatic/non-
aromatic extraction, chemical systems with small
amounts of supercritical gases
NRTL, UNIQUAC, NRTL
with Henry's law
Because the accuracy of the simulation hinges largely on the selection of
the correct thermodynamic method, you should exercise great care in
choosing a method. Though these guidelines give advice on which ther-
modynamic sets best suit which process systems, it is always advisable
to check that the results of your specific simulation are reasonable.
Application guidelines are available in the PRO/II on-line Reference
Manual, supplied on the distribution CD, or are accessible through the
Help system. Alternately, in the Thermodynamics Data main dialog box,
click on the toolbar to access the Help topic for that dialog
box. Click on Application Guidelines on the first Help screen.
Multiple
Methods
For some complex processes, you may need to use different thermody-
namic systems for different sections of the flowsheet. PRO/II allows you
to define multiple thermodynamic systems for use in a single simulation.
Click the Thermodynamic Data button, which is now blue to show
that you have already made a selection.
Click on a Category, choose a second Primary Method from the
selection shown, and click . Any method from any category
is satisfactory.
Do this for as many different methods as you wish.
You can then select any of these Defined Systems for use within any unit
operation. If you do not make an explicit selection in a unit operation,
the unit will use whichever system you designate as the default. Desig-
nate the default by selecting from the drop-down Default System list on
the Thermodynamic Data dialog box.
Using Multiple
Methods
Using multiple thermodynamic systems within a single simulation pre-
sents no complications when the materials flowing through the process
are not mixed. For example, you might use different methods for the hot
and cold sides of a HEAT EXCHANGER. On the other hand, if you are feed-
ing a product stream from a unit operation that uses one thermodynamic
system into a unit that uses a different system, you must be careful not to
introduce discontinuities in the flowsheet.
For example, a stream at a known pressure whose temperature has been
calculated from its enthalpy by the Soave-Redlich-Kwong equation of
state is fed to a constant pressure adiabatic flash unit which uses Peng-
Robinson as its thermodynamic set. If nothing is done, the adiabatic
flash will calculate a different temperature from the enthalpy of the
stream.
Overview
Add ->
To avoid this inconsistency and maintain the same stream temperature,
insert a dummy isothermal "reset" unit which maintains the temperature
and pressure but re-calculates the enthalpy using Peng-Robinson.
The adiabatic flash now receives a feed at a temperature, pressure and
enthalpy consistent with the method it is using and there will be no dis-
continuity. The difference between the two methods is represented by the
duty of the dummy flash unit.
In this example it is appropriate to use a fixed temperature and pressure
FLASH to reset the enthalpy. In other situations, you might need to spec-
ify the reset FLASH to produce a bubble or dew point or a fixed liquid
fraction. It is your responsibility to decide what stream characteristics
need to be preserved in order to avoid errors in the downstream unit and
to set up the reset FLASH accordingly.
L H*
L
Set=PR
V H*
V
F H
F
Q = (V H*
V
+ L H*
L
) - F H*
F
Set=PR
Set=SRK
H*
F
F
H
F
H*
F
Insert reset
flash unit
Supplying Process Stream Data
Streams and unit operations are the building blocks of a flowsheet. For
each unit operation you must define at least one feed stream and at least
one product stream. By defining the product from one unit operation as
the feed to another, you establish the connections between the various
units in the flowsheet.
Types of
Streams
Even simple flowsheets can contain several different types of streams.
External Feed Streams
External feed streams originate outside the flowsheet. You must provide
their thermal condition (e.g., temperature and pressure), their composi-
tion, and their flowrate. The components in your feed streams can come
from PRO/II's component library, from assay data, or from user-defined
or petroleum components.
You do not have to worry about resetting external feed streams. PRO/II
automatically flashes these streams prior to flowsheet execution. Each
stream is flashed using the thermodynamic system associated with the
unit it feeds. Other user-supplied streams, such as initial estimates for
recycle streams, are also flashed to be consistent with the units they feed.
Internal Feed Streams
Internal feed streams are the product of one unit operation and the feed
to another. Their properties are calculated by PRO/II and although you
can provide data for their attributes these data will be overwritten by
PRO/II as soon as the unit operation has solved.
Product Streams
Product streams exit the unit. No data entry is necessary, for any attribute
you provide will be overwritten by the calculated values.
Internal
Feed
External
Feed
Product
Recycle
Product
44 Supplying Process Stream Data
Recycle Streams
Recycle streams are special internal feed streams that connect down-
stream units to upstream units. PRO/II automatically recognizes recycle
loops and adjusts its calculations appropriately. You can provide esti-
mates for recycle stream properties to help accelerate the solution but it
is not usually necessary and a poor estimate is usually worse than no
estimate at all.
Recycle Convergence
PRO/II accomplishes recycle convergence by solving the flowsheet
sequentially using iterative techniques. PRO/II's default iterative method
is direct substitution. In this technique, the units are calculated sequen-
tially many times. For example, if a recycle loop contains units A, B, and
C, then the calculational sequence would be: A,B,C, A,B,C, A,B,C, ...
Each pass through the loop constitutes an iteration. In the first iteration,
the recycle stream has a flowrate of zero, unless you explicitly provide
an estimate. At all other iterations, the recycle stream has the values that
were calculated at the end of the previous iteration. The recycle loop has
converged when the recycle stream changes are sufficiently small
between two iterations. The magnitude of sufficiently small is deter-
mined by the various recycle convergence tolerance parameters that
PRO/II uses (you are free to provide these values).
You must be aware that iterative methods are usually not guaranteed to
converge. Direct substitution, however, is fast and reliable for many
problems, although it sometimes needs your help. If you can provide a
good initial guess for a recycle stream, the loop is likely converge faster
and more reliably.
Because of the greatly increased number of computations, converging
recycle loops can require large amounts of time. For this reason, PRO/II
provides two methods to accelerate convergence. These are the Wegstein
and Broyden methods. As is typical with many iterative techniques, they
work well for some problems and might not work at all for others. Both
of these methods seek to accelerate the direct substitution method by
providing better estimates of the recycle stream at each iteration. Accel-
eration methods can often help with problems which tend to oscillate
when using direct substitution alone or with problems which approach
convergence asymptotically. These methods are described in more detail
in the PRO/II Workbook, Flowsheet Control and Optimization.
Sequencing
Another way you can control recycle loop convergence is by specifying
the calculation sequence. PRO/II provides three sequencing options:
The default method, Minimum Tear Streams, orders the calculations
to minimize the number of tear streams. You can think of a tear
stream as a stream whose estimate you (or PRO/II) provide to break
a recycle loop.
The Alternate method sequences the calculations roughly in the
order that the units were entered. This was the default method in ver-
sions earlier than PRO/II 3.30.
The Explicitly Defined by User method allows you to choose the
ordering of the calculations.
Stream
Properties
Before you enter data for a stream, you should have placed the unit oper-
ations on your flowsheet and connected them together with feed, prod-
uct, and recycle streams. You should also have declared the components
that will be present in your simulation and specified the thermodynamic
methods you want to be used.
To define a stream completely you must specify its:
Thermal condition
Composition
Flowrate
To open the Stream Data dialog box, double-click on the stream, or
right-click on the stream and select Data Entry from the menu.
Figure 17:
Stream Data Dialog
Box
Thermal
Condition
PRO/II requires that you provide the thermal condition for all external
feed streams. You must also supply the stream thermal condition if you
choose to enter a recycle estimate. To define the thermal condition, you
must specify two of the following three properties:
Pressure
Temperature
Phase
Temperature and/or Pressure
From the First Specification drop-down list select either Temperature or
Pressure. If you want to supply both, select Temperature here and Pres-
sure as the Second Specification. Enter values in the fields supplied.
Phase
Phase data are supplied as the Second Specification after you have sup-
plied temperature or pressure. When defining the phase, you can specify
the stream as one of:
a saturated liquid at its bubble point
a saturated vapor at its dew point
a mixed phase stream at a liquid fraction between 0.0 and 1.0, on a
molar, weight or volume basis. Enter the value in the field provided.
For example:
If you do not define the phase, PRO/II will determine it with a phase
equilibrium calculation at the specified temperature and pressure.
Composition
and Flowrate
PRO/II requires you to specify the composition and flowrate of all exter-
nal feeds and estimated recycle streams. You can enter the composition
of a stream in one of four ways:
Using defined components
Using assay or distillation data
By referencing to another defined stream
By defining a stream as containing only solids
Select the stream type in the Stream Type group box. You define the
flowrate after choosing the stream type.
Compositional
Stream
Compositional streams are made up of pure components: library, user-
defined or petroleum. You must always provide the composition.
Click to open the dialog box.
Figure 18:
Flowrate and
Composition Dialog
Box
If you select Individual Component Flowrates, PRO/II adds the individ-
ual component flowrates to get the total rate.
If you provide a total stream flowrate, the sum of individual composi-
tions entered should be 1.0 (fractions), 100 (percentages), or the flowrate
that you supply. If not, check the Normalize Component Flowrates
Based on Specified Fluid Flowrate box and PRO/II will adjust them for
you.
If a component does not exist in a particular stream, enter a zero value
for that component, or leave blank.
Flowrate and Composition...
Both composition and flowrate can be given on a molar, weight, standard
liquid volume or standard gas volume basis. You can mix bases. For
example, you can enter the total flowrate on a molar basis and enter the
component rates on a weight basis.
To change the basis, click in the relevant field and click at the top
of the dialog box.
Standard Conditions
If you enter data on standard liquid or standard vapor volumetric bases,
PRO/II will use the density of the phase you specify, regardless of the
actual physical state of the stream at the specified thermal condition.
For liquid volume, PRO/II determines the molar flowrate using the liquid
densities of the components at standard conditions (60F and 1 atm). In
cases where a component is a vapor at standard conditions, the estimated
density value comes from the GPSA handbook. If the GPSA value is
unavailable, PRO/II extrapolates from the density of the saturated liquid
at atmospheric pressure.
For vapor volume, PRO/II uses the defined standard vapor conditions to
determine the molar flowrate. The actual values of the standard tempera-
ture and pressure (and therefore the computed flowrate) depend on the
default units of measure that you are using. For the metric and SI sys-
tems, STP defaults to 0C and 1 atm of pressure. For English units, the
STP default is 60F and 1 atm of pressure. You can change the standard
vapor conditions for your simulation using
in the Default Units of Measure for Problem Data Input dialog box.
After determining the molar flowrate, PRO/II performs an internal flash
to bring the stream from STP to the thermal condition that you have
specified.
Petroleum
Assay Stream
Assay streams differ from compositional streams by the way in which
their compositions are entered and referenced. When you input an assay
stream, instead of explicitly stating how much of each species is present,
you provide simple experimental data. PRO/II uses that data to charac-
terize the stream's composition in terms of petroleum components.
Typically, a laboratory-scale batch distillation analysis, such as the
ASTM D86 procedure, is performed to characterize a crude stream.
UOM
Standard Vapor Conditions...
Generating Assay Curves
The beaker is charged with the crude sample and heated. The tempera-
ture increases as the lighter fractions boil out of the mixture. While the
liquid is boiling, the temperature (T) and the total condensed volume (V)
are periodically recorded, as are quantities such as gravity. Gravity data
are commonly reported.
The quantities measured in this batch distillation experiment constitute
the assay data for the sample. PRO/II then uses correlations to translate
the assay data into TBP data from which all physical and thermody-
namic properties are calculated.
The assay is represented as a plot of the temperature versus the cumula-
tive percent distilled. PRO/II uses this distillation curve, along with an
analysis of both the light pure components (e.g., propane, butanes, and
pentanes) and the gravity data, to develop a set of petroleum components
for the stream. These derived components are then used within the flow-
sheet simulation to model streams that are characterized by assay data.
PRO/II uses petroleum components in its internal calculations and can
translate the simulation results back to assay data for output.
Thermometer
C
o
n
d
e
n
s
e
r
Burner V
T
T
e
m
p
e
r
a
t
u
r
e
% Distilled
Assay Data Entry
In the Stream Data dialog box, Select Petroleum Assay in the Stream
Type group box. Click to open the dialog box.
In addition to the thermal conditions, you must provide:
Flowrate
Distillation Data
Gravity Data
Flowrate
Enter a value in the field.
Figure 19:
Flowrate
and Assay Dialog
Box
Distillation Data
Click to open the Assay Definition dialog box.
Select a distillation type from the list:
True Boiling Point (TBP)
ASTM D86
ASTM D1160
ASTM D2887
Note that the D86 and D1160 data are almost always reported on a liquid
volume basis while the D2887 data are always reported on a weight
basis. Your flowsheet can include different types of assay streams (e.g.,
one stream on a D86 basis and another on a TBP basis).
If your distillations data has been collected at a pressure other than atmo-
spheric (760 mm Hg), you must supply that pressure.
Enter the data in the Percent Distilled vs. Temperature table.
Flowrate and Assay...
Define/Edit Assay...
Gravity Data
You must supply at least the average gravity for an assay stream,
expressed as API gravity, Specific Gravity or Watson K-factor. If, in
addition, you have a gravity versus percent distilled data curve, you
should enter it for greater accuracy. Click to enter the
data.
Figure 20:
Assay Definition
Dialog Box
Optional Data
The following data are optional:
Light Ends Analysis
Molecular Weight Data
Refinery Inspection Properties and User-defined Properties
Light Ends Analysis
Often you can identify and accurately measure the quantity of a few of
the lighter components that are present in the petroleum stream. You can
supply their rate and composition in terms of library components. Such
precisely measured data naturally improves the accuracy of the charac-
terization. If the light ends are included in the average gravity of the
stream, enter them here by clicking and entering the data.
If the light ends are not included in the average gravity of the stream,
enter them as a separate compositional stream and mix with the assay
stream.
Gravity Curve...
Lightends...
Molecular Weight Data
If possible, you should provide measured molecular weight data because
the molecular weight correlations are traditionally the least accurate of
those used in hydrocarbon characterization. You can supply a molecular
weight curve without supplying an average value by clicking
.
Refinery Inspection Properties and User-defined Properties
If available, you can include refinery inspection properties, such as cloud
point, pour point, sulfur content, and kinematic viscosity, in assay form
by clicking . To include custom-defined
special properties, click .
Assay Processing Methodology
In order for assay data to be useful in a flowsheet simulation, they must
be converted to a discrete set of petroleum components. The flowchart in
Figure 21 describes the procedure that PRO/II uses to interpret and trans-
form the assay stream data into useful compositional information.
Figure 21:
Assay Processing
Flowchart
This section explains the processing required to convert the assay data to
its corresponding set of petroleum components.
Molecular Weight...
Refinery Inspection Properties...
User-defined Special Properties...
Characterize Other
Thermophysical Properties for
Pseudocomponents
Determine Average NBP, SPGR
and MW for Pseudocomponents
Process Light Ends
Determine Moles, Mass and
Volume for Each Cut
Distribute Assay Curve
into Cuts
Convert Data to Equivalent TBP
Curve @ 760mm Hg
Distillation Data
Light Ends
in Stream
Set of
Petroleum Components
n
o
p
q
r
s
A
s
s
a
y

P
r
o
c
e
s
s
i
n
g

S
t
e
p
s
Convert Data to Equivalent TBP Curve
Although ASTM assay data are much easier to obtain than TBP data,
they are less valuable and must first be converted to 760 mm Hg true
boiling point (TBP) curves. The next step is to fit the TBP data to a con-
tinuous curve. This step is necessary because the supplied data points
will not necessarily correspond to the desired cutpoints.
PRO/II offers three methods for interpolating distillation curves:
The default is the cubic spline method (known as the SPLINE
option). Cubic spline interpolation usually provides an excellent fit,
however, instabilities can arise if the input data contain a large jump.
Such jumps are usually the result of an error in your distillation data.
In the rare cases where a spline fit is unstable, PRO/II can interpolate
the data using piecewise quadratic approximations (known as the
QUADRATIC option).
The Probability Density Function (PDF) method is recommended
when you suspect significant errors or random noise in your assay
data. It differs from the SPLINE and QUADRATIC methods in that the
curve is not required to pass through all of the supplied points. You
can force the curve to pass through the initial and/or end points by
using the Include in PDF option. This option has a strong effect on
how incomplete distillations are extrapolated, and you are encour-
aged to refer to the PRO/II Reference Manual before using it.
For incomplete distillations (i.e., distillations that do not range from 0 to
100% distilled), PRO/II uses the first two data points to extrapolate the
TBP curve back to 0.01% volume and will similarly use the last two data
points to extrapolate the TBP curve out to 99.99%. The extrapolation
feature is particularly valuable for heavy ends distillations, which can
terminate with over 50 volume percent of the initial charge not distilled.
Distribute Assay Curve into Cuts
As an option, you can define how to partition the TBP curve into discrete
pseudocomponents, or cuts, by setting the desired number of compo-
nents within a given temperature range. Table 15 lists the default cut-
points used by PRO/II, when user-supplied cutpoints are not provided.
Table 15: Defining Cutpoints
Temperature Range Number of Components
100-800F (38-427C) 28
800-1200F (427-649C) 8
1200-1600F ( 649-871C) 4
Here, 28 pseudocomponents should exist in the temperature range 100-
800F; thus, these components each have a boiling range of 25F. Note
that the defaults in Table 15 were originally designed for partitioning
crude oils. Material that boils below the first cut is combined with the
first cut and material that boils above the last cut is combined with the
last cut.
Determine Moles, Mass, and Volume for each Cut
Based on the sample's average gravity (or gravity curve, if you provided
it), PRO/II calculates the number of moles, the mass, and the volume
contained in each cut.
Process Light Ends
Hydrocarbon streams often contain significant amounts of light hydro-
carbons. While there is no universal definition of light, hexane is a com-
mon upper limit. Simulation of such systems is more accurate if these
components are considered individually rather than lumped into
pseudocomponents. PRO/II offers several techniques for processing your
light ends:
Match to TBP Curve: By default, PRO/II will match your light ends
data to the TBP curve. The rates for the light end components are
adjusted up or down, all in the same proportion, until the NBP of the
highest-boiling light end component intersects the TBP curve.
PRO/II then discards all of the cuts from the TBP curve that fall into
the region covered by the light ends data and uses the light end com-
ponents in subsequent calculations.
Fraction of Assay: This method allows you to specify that the total
light ends flowrate be a prescribed fraction (or percent) of the overall
stream flowrate.
Use Compositions as Actual Rates: Here the compositional entries are
used as the actual component flowrates. The total light ends flowrate
is the sum of the individual components. The flowrates are not
scaled to match the TBP curve.
Light Ends Rate: Here you provide the total light ends flowrate and
the individual light ends components are given as fractions or per-
cents. If your individual component values do not sum to 1 or 100,
you can use the normalize component flowrates option.
Figure 22 shows graphically how the petroleum components are gener-
ated and how the light ends data are matched to the assay curve.
Figure 22:
Light Ends Matching
Determine Average NBP, SPGR, and MW for each Pseudocomponent
Once PRO/II has defined the cuts in terms of moles, mass, and volume,
and incorporated the light ends, it determines the normal boiling point
(NBP), specific gravity (SPGR), and molecular weight (MW) for each
cut.
Computing the Normal Boiling Point
PRO/II determines the NBP for each pseudocomponent as a volume or
weight fraction average by integrating across the cut range:
(1)
x represents the percent liquid volume or weight distilled in cut j. PRO/II
uses these average boiling points as correlating parameters when calcu-
lating other thermophysical properties for each pseudocomponent.
Computing Average Gravity
If, in addition to the required stream average gravity value, you have
entered a gravity curve, PRO/II will calculate the average gravity for
each cut. If you supply only the average gravity for the stream, then
PRO/II uses the Watson-K factor to calculate the average gravity for
each cut. As you may recall, the Watson-K factor is a function of NBP
and specific gravity:
(2)
NBP
j
T x ( ) x d
x
min
x
max
x
max
x
min
---------------------------- =
K
NBP
1 3
spgr
------------------- =
Using the average NBP and average gravity for the stream, PRO/II com-
putes a Watson-K factor for the entire stream. The Watson-K factor is a
measure of the paraffinicity of a stock. The factor is relatively constant
through the entire boiling range of crude oils, so computing one factor
for the entire stream is a valid assumption. PRO/II then uses the Watson-
K factor and the NBP for each cut to back-calculate each cut's average
gravity as illustrated in Figure 23, where:
(3)
Computing Molecular Weights
As the next step in characterizing the pseudocomponents, PRO/II deter-
mines the molecular weight using a correlation that relates it to NBP and
gravity. Keep in mind that PRO/II's molecular weight correlations tend
to be biased toward crude oils. Whenever possible, you should supply
molecular weights to obtain a more accurate set of components. You can
supply a molecular weight curve and, if available, an average value. If
you supply both a curve and an average value, the average takes priority
and the curve will be adjusted and extrapolated to match the average.
Figure 23:
Computing the
Component NBP's
and Gravities
spgr
j
NBP
j
1 3
K
--------------------- =
First, Integrate
to Get NBPs . . . .
Volume % Distilled
T
e
m
p
e
r
a
t
u
r
e
A
P
I

G
r
a
v
i
t
y
L
i
g
h
t

E
n
d
s
1
s
t

C
u
t
2
n
d

C
u
t
3
r
d

C
u
t
. . . .Then Use Watson K Factor
to Compute Midpoint Gravity
for Each Cut.
Percent Distilled
Characterize Other Thermophysical Properties for the Pseudocomponents
All other physical and thermodynamic properties (e.g., critical properties
and enthalpy curves) required by PRO/II can be calculated from the
molecular weight, the NBP, and the gravity data by using correlations.
To change methods for property estimation, curve fitting and intercon-
versions, click and make the appropriate
selections in this dialog box (Figure 24).
If the default correlations do not adequately match your specific assay
data, you can try other calculation options to improve the fit. For more
information on characterization options, refer to the PRO/II Keyword
Manual and the PRO/II Reference Manual.
Figure 24:
Assay
Characterization
Options
Set of Petroleum Components
You now have a set of petroleum components, which define the assay
stream's composition and can be used in the simulation. You may be
wondering if there is any relationship between the petroleum compo-
nents discussed earlier in this chapter and the petroleum components
generated from an assay. The answer is a definite Yes. A petroleum com-
ponent, whether defined as part of a compositional stream, or generated
by PRO/II's assay processing machinery, is treated the same by PRO/II.
In this discussion we have only considered deriving a set of petroleum
components from one assay stream. In reality, multiple streams are often
used to generate a component set. The blend option allows you to gener-
ate more than one set of petroleum components from multiple streams
within a given run. This is a powerful feature for modeling a process that
has different feedstocks, particularly one that uses both virgin and
cracked feedstocks.
Controlling Assay Processing
You can control how PRO/II processes your assay data by clicking the
Assay Data button on the toolbar. In this dialog box (Figure 25), you can:
Modify the primary cutpoint set.
Add, modify and delete a secondary cutpoint set.
Nominate a cutpoint set to be used as the default for stream assay
processing. To do this you must have defined at least one secondary
cutpoint set.
Figure 25:
Assay Cutpoints and
Characterization
Dialog Box
Then, in the Flowrate and Assay dialog box, entered from the Stream
Data dialog box, you can select the cutpoint set to use with this stream.
Click on the default set of TBP cutpoints in the linked text and select the
Secondary Cutpoint Set of your choice.
Reference
Stream
A reference stream is a feed stream whose attributes are defined in terms
of another stream (the referenced stream). The two streams have the
same composition and can have the same rate (molar), temperature, and/
or pressure.
Select Referenced to Stream in the Stream Type group box and click
the to open the dialog box.
Figure 26:
Reference Stream
Dialog Box
Flowrate and Stream...
Typically, when using this option, you transfer the composition of one
stream (the source) to another (the target) while overriding the molar
rate, temperature, and/or pressure. You may find the reference stream
feature most useful when the stream rate, temperature, and/or pressure
change, but the composition remains the same. Such is the case in a ther-
mal recycle. Figures 27 and 28 illustrate how a reference stream is used
to break a thermal recycle, which occurs in natural gas processing plants
where the cold separator gas is back exchanged with the warm feed to
the chiller.
Figure 27:
Thermal Recycle
Occurring in Natural
Gas Processing
PRO/II will attempt to sequentially solve the flowsheet in Figure 27.
Since the recycle stream (stream 5) has no calculated value, PRO/II will
set the rate of the recycle stream entering HX-1 to zero and perform a
one-sided heat exchanger calculation before advancing to HX-2. Taking
this approach, PRO/II must complete three iterations or recycle passes to
solve the flowsheet.
For a more efficient approach, you can rearrange the flowsheet by refer-
encing stream 4X to stream 2. This will result in the resequencing of the
PRO/II execution, and a new problem setup emerges as depicted in Fig-
ure 28. Because stream 4X is now an external feed, its thermal condition
must be provided. In this case, you can deduce temperature and pressure
from other flowsheet parameters. The temperature of stream 4X is the
same as the outlet temperature of HX-2, and the pressure is the pressure
of stream 2 less the cumulative pressure drop across the two heat
exchangers.
PRO/II can now solve the broken-recycle flowsheet, shown in Figure 28,
in a single pass.
Figure 28:
Breaking the Thermal
Recycle Using a
Reference Stream
Clearly you can only apply the reference stream concept when the com-
position of the source stream being referenced is available in the flow-
sheet. In the example given above, the composition of stream 2 is known
prior to the calculation of FLASH DRUM D-1 with a reference stream.
Another common usage of reference streams in a thermal recycle is
shown in Figure 29. The feed to the distillation column is preheated by
the column's bottom product. Most preheat systems have controllers,
known as trim heaters, that maintain a desired column feed temperature;
thus, this loop can be broken without corrupting the flowsheet solution.
In Figure 27, HX-2 is a trim heater.
You can use a reference stream to set up the column feed at the desired
temperature. This serves to decouple the column from the preheater and
allows PRO/II to solve the column and preheater sequentially. The
required flowrate of stream 5 is calculated after the column is solved. All
recycle calculations have been eliminated.
,
Note: You can use a reference stream to break any thermal recycle
where a trim heater or cooler is used to set a desired thermal
condition in a flowsheet.
,
Note: Each time a source stream is updated, the target stream is also
updated. For this reason, you should generally not use refer-
ence streams to provide recycle estimates. If the source and tar-
get streams are part of the same or nested recycle loops,
PRO/II will reset the target stream on each pass through the
loop. Nonconvergence of the flowsheet is likely to occur. How-
ever, if the source stream is fixed (i.e., an external feed) using a
reference stream as a recycle estimate will not cause conver-
gence problems.
Figure 29:
A) Distillation Column
with Thermal Recycle
for Preheating Feed
and B) Breaking the
Thermal Recycle
Using a Reference
Stream
At times you may want to use one set of stream properties in several
places. Though PRO/II does not allow you to use the same stream name
to feed multiple units, it does offer these time-saving techniques:
Input the feed stream once and then reference the other feed streams
to the original.
Input the feed stream once and then use the stream copy feature to
define all others feed streams.
There is an important distinction to be made between a reference stream
and a stream that has been defined using the copy feature. If you change
the original feed stream, every stream that references it will also change.
This is not true for a stream that has been copied. The original stream
and its copy are totally disconnected after the copy has been made.
Solids Stream All streams can contain solids but there are some streams which contain
only solids. These are handled differently in PRO/II. Solids-only streams
contain only components which have been defined as solid components
on the Component Phase Selection dialog box, accessed from the Com-
ponent Selection dialog box.
In the Stream Data dialog box, select Solids Only Stream in the
Stream Type group box. Click . The Stream
Data - Solid Components dialog box appears (Figure 30).
Click the appropriate to enter molar- or weight-based
solids flowrate and composition. Solid components which do not
have molecular weight defined can be entered only on a weight
basis.
(A) (B)
Stream Solids Data...
Enter Data...
Figure 30:
Solid Components
Dialog Box
Polymer
Stream
With the exception of reference streams, you can describe attributes of
polymer components in any stream. You must first define at least one
polymer component in the Definition of Polymer Components dialog
box, accessed by clicking in the Component Selection dialog
box. You must also supply distribution data for that component by click-
ing in the Component Properties dialog box.
Then, in the Stream Data dialog box, click and
enter Molecular weight/Moment distributions, particle size distribution
and general attributes as appropriate.
Stream
Utilities
PRO/II provides several utilities for obtaining stream properties and for
creating and copying streams. In this section you will learn why these
features are useful and how to use them. These include:
Flash and BVLE hotkeys
Copying streams within the same flowsheet and between different
flowsheets
Hotkeys The PRO/II toolbar contains two buttons that allow you to calculate
stream and thermodynamic properties at any time. These options are also
accessible through the Tools menu.
The flash hotkey flashes the selected feed stream (or recycle estimate) at
its specified conditions. Simply select the stream and click the flash hot-
key button. A window displaying the temperature, pressure, composi-
tion, and molar flowrate of each phase will appear. The flash hotkey also
reports the stream's molecular weight and heat capacity. The flash hot-
key is useful in the following circumstances:
To find the component molar flowrates of a stream that was entered
on a volumetric or weight rate basis.
Polymer...
Stream Polymer Data...
s To determine the phase(s) of a stream with known temperature, pres-
sure, and bulk composition
s To determine the temperature, or pressure, of a stream with known
pressure, or temperature, and liquid fraction.
The BVLE hotkey graphically presents phase equilibrium data for pairs
of components. Figure 31 shows a sample. It also plots activity coeffi-
cients, fugacity coefficients, K-values, and compositions versus tempera-
ture, pressure, and composition. To view the graphs, click on the BVLE
hotkey and enter the desired component pair and the temperature or pres-
sure. As with any other graphic in PRO/II, you can copy the resulting
plots to the clipboard and paste them into reports, spreadsheets, etc.
Figure 31:
Sample BVLE Plot
Copying
Streams
PRO/II allows you to copy streams within the same flowsheet and/or
between different flowsheets.
Copying Streams Within the Same Flowsheet
Suppose you want to copy the properties of feed stream S1 into feed
stream S2, a stream in the same flowsheet. To do so, simply select stream
S1 and press <CTRL+C> to copy the stream. Then select stream S2 and
press <CTRL+V> to paste. All of S1's properties will be copied to
stream S2. These functions also exist on the Edit menu.
To copy the properties of a product stream, copy it as before, but paste it
using the Paste Special command on the Edit menu.
1-/- ||c: cc L1^N| ~cc .^1L| (| = . |5|^) 1-/- ||c: cc L1^N| ~cc .^1L| (| = . |5|^) 1-/- ||c: cc L1^N| ~cc .^1L| (| = . |5|^) 1-/- ||c: cc L1^N| ~cc .^1L| (| = . |5|^)
C
7
c
-
-'
-2
.2 .- .C .c '
|c|c |c~c:|cc L1^N| |c|c |c~c:|cc L1^N| |c|c |c~c:|cc L1^N| |c|c |c~c:|cc L1^N|
1
c
c
c
c
~
:
u
c
c
,

|
1
c
c
c
c
~
:
u
c
c
,

|
1
c
c
c
c
~
:
u
c
c
,

|
1
c
c
c
c
~
:
u
c
c
,

|
|u|||c |c|c: |u|||c |c|c: |u|||c |c|c: |u|||c |c|c:
|c. |c|c: |c. |c|c: |c. |c|c: |c. |c|c:
,
Note: PRO/II cannot copy petroleum components that were gener-
ated from assay data (as opposed to petrocomponents whose
properties you explicitly enter) from product into feed streams.
Copying Streams Between Different Flowsheets
PRO/II's Stream Data Link feature lets you transfer stream data between
simulations. It establishes a link between a stream in the active simula-
tion and a stream in another simulation database, allowing you to copy
data from the other database to your open simulation. Unlike the refer-
ence stream feature, this link is not dynamic, i.e., the target stream is not
updated automatically every time the source stream changes. The data
are copied only when you select the Update Stream Data Links com-
mand from the Input menu, or when you activate the Update Now box in
the Define Stream Data Link dialog box.
Assume that flowsheet APP1.PRZ contains a stream, S1, that you want to
copy into another simulation. Run and save APP1 so that the properties
(calculated or entered) of S1 are stored in the APP1 database files.
To copy stream S1 from APP1.PRZ into stream S2 in flowsheet
APP2.PRZ:
Open or create APP2.
Select stream S2 and choose Input/Define Stream Data Link from the
menu bar.
Check the Define Link box and enter the name of the database file
that contains the desired stream, APP1 in this example. Or, click
to search for the simulation.
Enter the name of the stream that you would like to copy, S1 in this
example. Or, use to search the stream names.
If you want to copy S1 into S2 now (update the data link), check the
Update Now box, and click . If you want to wait before transfer-
ring the data, simply click .
PRO/II copies only those components that are common to both flow-
sheets. Assume, for example, that S1 contains 10 mol/hr of methane, 5
mol/hr of ethane, and 20 mol/hr CO
2
. If flowsheet APP2 does not have
CO
2
in its list of defined components, then a data link between S1 and
S2 will result in S2 containing 10 mol/hr of methane and 5 mol/hr of
ethane. The CO
2
is not copied. PRO/II will warn you of this situation.
Browse...
Browse...
OK
OK
,
Note: The stream data link does not allow you to copy assay data and
petroleum components that were generated from assay data.
Supplying Process Unit Operations Data
PRO/II is a sequential modular simulator. Each unit is calculated sepa-
rately with the calculations proceeding in a stepwise fashion from one
unit to another.
PRO/II uses the unit operations concept to construct the flowsheet. You
must define the unit operating conditions, e.g., the outlet temperature of
a heat exchanger or the reflux ratio for a column.
Categories
PRO/II offers a complete suite of unit operation calculations as shown
Table 16 below.
Table 16: PRO/II Unit Operations
Unit Operation Description
Phase Change
Flash Calculates the thermodynamic state of any stream by performing phase
equilibrium calculations when two variables are given.
Flash with Solids This is identical to the standard flash except that solid components are
allowed in the calculation.
Stream Manipulation
Mixer Combines two or more streams into a single stream.
Splitter Splits a single feed or a mixture of feeds into two or more streams of
identical composition and phase.
Stream Calculator Blends any number of feed streams and produces products with defined
composition and thermal condition. New streams can also be created.
Columns
Distillation Column Splits feed stream(s) into streams of different composition based on
temperature and pressure.
Side Column Includes both sidestrippers and siderectifiers.
Batch Distillation Simulates a batch rectifier comprising a stillpot, column, condenser and
accumulator.
Pressure Change
Compressor Compresses the feed stream according to given specifications.
Expander Expands a stream isentropically to the specified conditions and outputs
work during the process.
Pump Increases the pressure of a process stream to the required value.
Pipe Calculates single or mixed phase pressure drops through piping between
unit operations. It can also determine the line size required for a given
maximum pressure drop or minimum outlet pressure.
Depressuring Unit Simulates the time-pressure-temperature relationship when depressuring
a vessel through a relief or control valve.
Valve Simulates the pressure drop across a valve.
66 Supplying Process Unit Operations Data
Heat Exchangers
Heat Exchanger Heats or cools a single process stream, exchanges heat between two
process streams or between a process and a utility stream.
Rigorous Heat
Exchanger
Calculates the temperature change, pressure drop, and heat transfer
coefficients on both the Shell and Tube side of a rigorously defined Heat
Exchanger, based upon the user-supplied exchanger geometric details.
LNG Heat
Exchanger
Simulates the exchange of heat between any number of hot and cold
streams. It is used for cryogenic cooling in the natural gas and air
separation industries and can achieve close temperature approaches.
Reactors
Conversion Reactor Simulates a chemical reactor by solving the heat and material balances
based on supplied reaction stoichiometry and fractional conversion.
Equilibrium Reactor Simulates a chemical reactor by solving the heat and material balances
based on supplied reaction stoichiometry and reaction equilibrium data.
Plug Flow Reactor Simulates a tubular chemical reactor by solving the heat and material
balances based on supplied reaction stoichiometry and kinetic data.
CST Reactor Simulates a chemical reactor by solving the heat and material balances
based on supplied reaction stoichiometry and kinetic data. The Boiling Pot
reactor is a continuous stirred tank reactor where all reactions take place in
the liquid phase and only a single vapor product is allowed.
Gibbs Reactor Simulates a chemical reactor by solving the heat and material balances
based on minimizing the free energy of the components in the reaction.
Stoichiometry is not required.
Polymer Reactors Models either a continuous stirred tank reactor or a plug flow reactor for
polymer systems with several different kinetic models.
Batch Reactor Simulates the operation of a batch or semi-batch reactor as a non-steady
state operation.
Utilities
Phase Envelope Generates phase envelopes for multi-component streams using the Peng-
Robinson or Soave-Redlich-Kwong equations of state.
Heating Curves Generates heating or cooling curves which represent a composite of
equilibrium flash calculations, for any process stream or an unit operation
internal stream.
Block Diagram Allows you to organize flowsheets into a hierarchical structure. One or
more unit operations on a flowsheet can be grouped into a single icon,
simplifying the main flowsheet.
Stream Properties Creates a stream property table which lists various properties for the
selected streams.
Solids Handling
Solid Separator Separates the solid phase material from a mixture of feed streams.
Crystallizer Models the transformation of a supersaturated solution into a solid/liquid
mixture phase.
Dissolver Models the dissolution of crystals into the liquid solvent phase from a
mixture of feed streams.
Wiped Film
Evaporator
Separates 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.
Gas/Solid Cyclone Provides the capability to separate solid phase material with a specified
particle size distribution from vapor streams.
Common
Features of
all Unit
Operations
All unit operations have some common features:
Unit identifier and a description. The unit identifier identifies the
unit within the PRO/II calculations and is used in sequencing and
specifications. PRO/II supplies identifiers for you automatically.
However, you can override them, or have PRO/II prompt you for a
name when adding the unit to the flowsheet.
Multiple feeds
Thermodynamic options
Product phases
Multiple
Feeds
You can supply any number of feeds to a unit. Exceptions to this rule are
highlighted when the unit operation is described.
When you do not provide a unit's pressure, PRO/II sets it to the lowest
feed pressure and PRO/II mixes all feeds adiabatically at this pressure.
Thermo
Options
If you have defined more than one thermodynamic system for your sim-
ulation, you can specify which of the defined thermodynamic systems is
to be used for the calculations of a specific unit operation. Select the
thermodynamic system from the list of available choices within the unit
operation.
Flowsheet Manipulation
Controller Adjusts an upstream parameter in the flowsheet to reach a specified
objective on a process stream, unit or thermodynamic parameter
operation.
Multi-variable
Controller
Adjusts a group of at least two or more upstream parameters in the
flowsheet to reach a specified set of two or more objectives on process
streams, units or thermodynamic parameter operations. There must be an
equal number of specifications and variables.
Flowsheet Optimizer Either minimizes or maximizes an objective function by varying a number
of flowsheet variables subject to a number of constraints while at the same
time meeting a number of specifications.
Calculator Computes a result or an array of results for printout, allows you to assign
results to a stream vector or for use by other unit operations.
User-Added Unit Allows access to your own FORTRAN calculational routines if you have
obtained the PRO/II User-added Unit Operation supplement for PRO/II.
SIMSCI Add-Ons Allows access to SIMSCI Add-On calculational routines that are available
within the standard version of PRO/II. This unit also allows access to
optional calculational routines provided by SIMSCI if you have requested
and installed the proper PRO/II upgrade package.
The default system used for the thermodynamic calculations within indi-
vidual unit operations is that selected as Default System in the Thermo-
dynamic Data dialog box.
If the default system is changed, unit operations that have the default
choice selected for their thermodynamic method calculations will auto-
matically use the new default system
For unit operations that have an alternative thermodynamic system
selected, changing the default system in the Thermodynamic Data dialog
box will not change the thermodynamic method used within that unit
operation.
Product
Phases
Most unit operations allow you to split the product into one or more
streams. You can assign the following phases to product streams:
Vapor
Liquid
Solid
Decanted Water
Second (heavy) Liquid
Vapor + Liquid (Mixture)
Exceptions to this rule are:
Simple heat exchangerthe rule applies to both sides of a simple
HX.
Rigorous heat exchangerthe rule applies to both sides of a rigor-
ous HX
LNG exchangerthe rule applies to all cells of an LNG exchanger
Plug flow reactorthe rule applies to both the reaction side and the
heat exchange side
Flashhas to be the flash with solids to have a solid phase
Pumponly one product allowed
Depressuringas many products as there are time intervals
Wiped film evaporatorbottoms has polymer melt (with less vola-
tiles than the feed). Overhead is vapor stream containing volatiles
that were removed.
Solid unitsone solid and one liquid (with or without solids); or one
solid and one gas (with or without solids)
Batch unitsas many products as required by the process
Flash
Calculations
When you perform design calculations or troubleshoot a process, you
may need to know a mixture's phase behavior at certain process condi-
tions, or you may need to know what conditions are necessary to recover
a certain amount of a component from a mixture. Usually you must rely
on a process simulator to get this type of information.
Flash Unit
Operation
Figure 32 shows a general schematic of the PRO/II FLASH unit for a
vapor-liquid system. PRO/II allows up to three products for this unit and
an unlimited number of feeds.
Figure 32:
Three-Phase
Equilibrium Flash Unit
Operation
Note that F
j
denotes the feed streams, V denotes the vapor product, L
denotes the liquid product, W denotes either the decanted water or the
second liquid product, and z
ji
, y
i
, x
1i
, and x
2i
denote the component mole
fractions for the respective streams. Q denotes the duty added or
removed from the flash unit operation.
Solution Approach
For simplicity, consider a common special case of the above configura-
tion: a flash with a vapor product and a single liquid product. PRO/II
uses an iterative approach to solve the mass and energy balances and
equilibrium relationships for a given system. For a general two-phase
flash, these equations are:
Total Mass Balance
F = V + L (4)
Component Mass Balances
Fz
i
= Vy
i
+ Lx
i
i = 1,...,N (5)
z
z
z
z
z
F
1
, z
1i
F
M
, z
Mi
V, y
i
L, x
1i
W, x
2i
Q
Equilibrium Relationships
y
i
= K
i
(T, P, y
j
, x
j
) x
i
i, j = 1,...,N (6)
Summation
i = 1,...,N (7)
Heat Balance
FH
f
+ Q = VH
v
+ LH
l
(8)
In equations (5) - (7), N is the number of components. Note, there are
3N+6 unknowns in this set of equations (F, V, L, z
i
, x
i
, y
i
, Q, T, and P).
However, there are only 2N+3 equations, leaving N+3 variables that
must be set. We will discuss how these variables are set in the next sec-
tion.
For a bubble point flash, the liquid phase component mole fractions (x
i
)
equal the component feed mole fractions (z
i
). Additionally, the amount
of vapor (V) is equal to zero. Thus, the equilibrium relationship to be
solved is:
i = 1,...,N (9)
Similarly, for a dew point flash, the amount of liquid (L) is equal to zero
and the vapor phase component mole fractions (y
i
) equal the component
feed mole fractions (z
i
). Thus, in this case the equilibrium relationship to
be solved is:
i = 1,...,N (10)
The PRO/II Reference Manual provides details about the solution algo-
rithm. PRO/II allows you to provide estimates of temperature or pressure
in order to enhance convergence of the flash algorithm for all types of
flashes except isothermal flashes.
Defining the Flash Calculation
From the set of equations given above, you can see that Eq. (6) sets the
phase equilibrium behavior for the system. In Eq. (6) the phase equilib-
rium ratios or K
i
's (also referred to as K-values) are typically functions
of temperature, pressure, and composition, making the problem fairly
complex. Your selection of a thermodynamic system for the process will
greatly affect the solution.
As previously discussed, there are N+3 variables to be specified for each
calculation. The feed stream composition and rate comprise N+1 of
these variables. This leaves two degrees of freedom to be set in the flash
algorithm. You must specify either the flash temperature or pressure.
y
i
x
i
i
0 =
K
i
z
i
i
y
i
i
1.0 = =
z
i
K
i
x
i
i
1.0 = =
Valve, Mixer,
and Splitter
Unit
Operations
The VALVE, MIXER, and SPLITTER units also perform phase equilibrium
calculations. They are each equivalent to an adiabatic flash with zero
enthalpy change (duty=0). The temperature is always computed rather
than specified, and PRO/II allows an unlimited number of feeds to these
units. You can set the pressure or pressure drop; otherwise PRO/II
assumes a pressure drop of zero and uses the lowest feed pressure for the
product streams. Figures 33-35 depict the schematics for these unit oper-
ations.
Figure 33:
Valve Unit Operation
The VALVE unit can have up to three products. Designation and handling
of the products for the VALVE unit is as flexible as for the FLASH unit.
MIXER units can only have one product; however, PRO/II always deter-
mines the product phase, regardless of which phase (V, L, W, or M) you
designate.
Figure 34:
Mixer
Unit Operation
Figure 35:
Splitter Unit
Operation
The SPLITTER unit combines any number of feed streams and splits the
combined feed into products of identical composition and thermal condi-
tion. The same phase designation must be used for all products (i.e., liq-
uid, vapor, etc.). If you select an incorrect phase designation, PRO/II will
reset it to the correct phase, as with the other equilibrium calculation
units.
In addition, you must define the stream rates using generalized stream
specifications for all but one of the desired products. The SPLITTER unit
allows only rate dependent stream specifications. For example, the rate
of a component or group of components in a product is a rate dependent
specification. The recovery of a fraction of the total feed to the splitter is
also a rate dependent specification.
z
z
z
F
1
, z
1i
F
n
, z
ni
V, y
i
L, x
1i
L
2
, x
2i
z
z
z
F
1
, z
1i
F
n
, z
ni
F
o
, z
oi
z
z
z
F
1
, z
1i
F
n
, z
ni
F
o1
, z
o1i
F
o2
, z
o2i
F
om
, z
omi
z
z
z
Flash Types This section describes the different flash types modeled in PRO/II.
Dew and Bubble Point Flashes
For dew point and bubble point flash calculations, you can designate a
pseudo-stream product. This pseudo-stream is in equilibrium with the
actual product stream, but does not actually exist. The default rate of the
equilibrium pseudo-stream is zero, but you can arbitrarily set its rate
using the Define feature within the FLASH unit, or enter a rate directly.
For a bubble point FLASH, the product is a saturated liquid, defined as the
liquid product and the pseudo-stream is a saturated vapor, defined by the
vapor product.
For a dew point FLASH, the product is a saturated vapor, defined as the
vapor product and the pseudo-stream is a saturated liquid, defined by the
liquid product.
Defining pseudo-streams can help solve flowsheets in many ways. For
instance, suppose that you are given the composition and flowrate for the
liquid distillate and reflux of a column; but, you only have the flowrate
of the off-gas and not its composition. You can create the off-gas stream
by feeding the liquid distillate to a bubble point FLASH and setting up a
vapor pseudo-stream with a defined rate that is equal to the known off-
gas rate.
Another useful calculation that you can perform with the dew point and
bubble point FLASH units is the determination of the "latent heat" of a
mixture. To find this quantity, the mixture must be transformed from a
saturated liquid to a saturated vapor. The heat required for this phase
change is the "latent heat," which is calculated as the difference between
the mixture enthalpies at the bubble point and at the dew point at con-
stant temperature. Keeping the temperature constant will eliminate sen-
sible heat effects in the calculation.
Water and Hydrocarbon Dew Point Flashes
The water dew point of a water-hydrocarbon mixture is the operating
condition at which the first drop of free water is formed as the mixture
cools (or as the mixture's pressure is raised). Likewise, the hydrocarbon
dew point is the operating condition at which the first drop of liquid
hydrocarbon is formed.
In PRO/II, the standard dew point calculation finds the first dew point for
a mixture. For water-hydrocarbon mixtures with hydrocarbons more vol-
atile than water, this is also the water dew point. For water-hydrocarbon
mixtures with hydrocarbons less volatile than water, this is also the
hydrocarbon dew point. These dew point calculation options are avail-
able in PRO/II for water-hydrocarbon systems that are modeled using the
water decant option. For the standard dew point calculation, PRO/II
allows only a vapor product (V) and a liquid phase pseudo-stream (L).
However, the hydrocarbon dew point option allows for a free water prod-
uct (W), since the water may condense before the hydrocarbon, while the
water dew point option allows for a liquid hydrocarbon product (L),
since the hydrocarbon may condense before the water. PRO/II does not
generate pseudo-streams for these optional dew point calculations.
Entrainment PRO/II can model the entrainment of one product phase in any other
product phase. PRO/II performs the entrainment calculations after the
FLASH unit converges. This makes the final product streams different
than the flash specifications and not in equilibrium with each other.
Defining
Reaction
Data
Reactor unit operations in PRO/II use the reaction data capability. Click
the Reaction Data button on the toolbar to define the reaction data prop-
erties. You assign names to individual reactions and store groups of reac-
tions in reaction sets for easy organization and retrieval. PRO/II comes
with two predefined reaction sets, which contain data for the important
Shift and Methanation reactions.
The Reaction Definitions dialog box in Figure 36 shows the contents of
the user-defined reaction set, FURNACE_RXNS. The currently defined
reactions are named H2BURN and METHBURN. Most reaction properties
are entered through this dialog box. The , , and buttons
allow you to input heats of reaction, equilibrium data, and kinetic data.
Figure 36:
Reaction Definitions
Dialog Box
H... E... K...
PRO/II provides six types of reactor units that use reaction data supplied
through the Reaction Data dialog box. Each requires a different subset
of the reaction data and you only need to enter the required data for the
specific reactor. Table 17 indicates which reaction data are required, R,
and which are optional, O, for the six reactor types.
Reaction
Stoichiometry
You can enter reaction stoichiometry by clicking on the Definition linked
text. A table will appear that allows you to define your reaction by sim-
ply filling in the blanks. PRO/II will even check your stoichiometry for
errors. In Figure 36, the stoichiometry has already been defined for both
reactions.
You should be aware that PRO/II selects the default reaction rate expres-
sions based on the stoichiometric coefficients. For example, if you input
a reaction as:
2A + B = 2C
PRO/II will generate the following rate expression:
rate
1
= K [A]
2
[B]
If, however, you enter the same reaction using the stoichiometrically-
equivalent form:
A + 0.5 B = C
PRO/II will generate the following rate expression:
rate
2
= K [A] [B]
1/2
Clearly, a given reaction can have only one rate expression. The expres-
sion is determined by the physics of the problem and should be indepen-
dent of the way the reaction is written. PRO/II uses power law kinetics
with the stoichiometric coefficients as the exponents. It is thus important
that you enter your stoichiometry to reflect the actual reaction mecha-
nism. If, for example, you know that this reaction exhibits tri-molecular
Table 17: Reactor Data
Reactor Type Data Type
Stoichiometry H E K
Gibbs O
Conversion R O
Equilibrium R O R*
CSTR or Boiling Pot R O R*
PFR R O R*
Batch R O R*
* These data can be entered through the reactor unit dialog box.
kinetics, then you should enter it as 2A + B = 2C and PRO/II will select
the correct rate expression. If you choose not to do this, you are always
free to manually override the expression PRO/II has selected for you.
Heat of Reaction Data
You can specify heat of reaction data by clicking that appears to
the right of each reaction. In addition to the heat of reaction, you can also
input the phase and temperature at which the measurement was taken. If
you do not provide values, PRO/II will calculate the heat of reaction
from heats of formation contained in its libraries.
Reaction Equilibrium Data
Clicking activates a dialog box that allows you to input reaction
equilibrium data. The reaction equilibrium constant is:
(11)
where the 's are the coefficients in the stoichiometric expression. By
convention, the exponents are positive for products and negative for
reactants. PRO/II expresses liquid activity in terms of mole fractions and
vapor activity in terms of partial pressure. You can provide temperature
dependent K-values by supplying coefficients (A,B,C,...) for the series:
ln(K) = A + B/T + Cln(T) +DT + ET
2
+ FT
3
+ GT
4
+ HT
5
(12)
Reaction Kinetic Data
Clicking allows you to define the rate expression for the selected
reaction. The rate expression has the form:
(13)
The temperature dependence is a corrected Arrhenius model, where:
A is the pre-exponential factor.
E is the activation energy.
n is the temperature correction exponent.
By selecting n=0, the standard Arrhenius form is recovered. Power law
kinetics are used, and order is the reaction order for each component.
Click to enter the reaction order. As
you have just learned, if you do not provide component orders, PRO/II
will use the stoichiometric coefficients from the reaction definition you
provided.
H...
E...
K activity
i
v
i
i
=
K...
Rate = Aexp[-E/RT]T
n
activity
i
order
i
i
Reaction Order & Activity Phase...

Kinetic
Procedure
Data
The Procedure Data function in PRO/II enables you to supply FOR-
TRAN code for kinetic reaction rate calculations without the need for
compilation and linking. Procedure blocks can be accessed in much the
same way as FORTRAN programs call calculation subroutines.
The Procedure block has two main sectionsdeclaration and code. The
declaration section declares variable names, which are used in the code
section but defined in the unit operation.
The code section contains FORTRAN-based statements which calculate
the reaction rates. Specific unit operation data for the reactor or reactive
distillation unit and reaction data can be accessed through number of
predefined variables. Special intrinsic functions can be used in the code
statements for direct retrieval of component properties
Accessing
Reaction Data
After you enter your reaction data, you can select the appropriate reac-
tion set from within each reactor unit dialog box. The two reactions,
H2BURN and METHBURN, will be listed in the Extent of Reaction dialog
box, where you can define the order in which the reactions occur and to
what extent.
Figure 37:
Conversion Reactor
Dialog Box
Using Specification and Define Features
The Specification and Define features of PRO/II allow you to control
your simulation to meet your modeling requirements. Using Specifica-
tion and Define you enter target values for flowsheet parameters. PRO/II
meets these targets either directly or by adjusting the values of other
parameters.
Specification
Using Specification you set a target value of a calculated unit operating
condition or stream property. PRO/II meets it by varying other parame-
ters either within the unit operation or elsewhere in the flowsheet. You
can express Specifications either as actual values or as functions of other
parameters. For example, you can specify a product stream flowrate as
1000 and a flash drum temperature as its feed temperature plus 10F.
Define
Using Define you link the value of a variable to that of an upstream vari-
able that has already been calculated. For example, you can Define a
FLASH DRUM pressure as equal to the pressure of an upstream valve
minus 0.1 bar.
Controller and Optimizer Units
If you want to make a specification on a unit or stream and achieve it by
varying a parameter of another unit or stream, use a CONTROLLER.
If you want to meet more than one specification by varying the same
number of parameters simultaneously, use a MULTIVARIABLE CONTROL-
LER.
If you want to maximize or minimize a parameter by varying other
parameters, use an OPTIMIZER.
Specification
You can make specifications on parameters within a unit operation or
parameters of product streams from the unit operation. The number of
specifications you can make in a unit operation depends on the degrees
of freedom that are available to the equations that solve the unit. For
example, in a SPLITTER you can make N-1 specifications where N is the
number of products. The Nth product is calculated from the equation
matrix.
Table 18 shows a summary of the number of specifications allowed for
the available unit operations.
78 Using Specification and Define Features
Specification
Example
In a FLASH DRUM you can make two specifications. The first specifica-
tion can be pressure, pressure drop or temperature. The second specifica-
tion can be either a unit specification or a stream specification.
Select a unit specification from a drop-down list,
or, formulate a stream specification using linked text.
Click on Parameter to display the Parameter dialog box where you
select a product stream.
Having selected a stream, click on Parameter to select a parameter
from the list displayed in the Parameter Selection dialog box. The
list and the options vary depending on the unit type.
Table 18: Number of Specifications Allowed
Unit Number of Specifications Allowed
Flash 2 (only 1 stream specification)
Stream splitter P-1
Columns
1
, Sidecolumns
1
, Liquid-liquid extractors
1
Unlimited
Shortcut column 2(P-1)
Controller
1
1
Multivariable controller (MVC)
1
Unlimited
Optimizer
2
Unlimited
1 Number of Specifications = Number of Variables
2 Number of Specifications = Number of Variables - Number of Constraints
P = Number of Product Streams
Absolute Specification
Suppose you want to specify that the selected stream should contain 100
kg moles/hr of butane.
In the Parameter Selection dialog box, select Flowrate then Selected
Components, then NC4 as Starting Component.
Return to the Flash Drum dialog box, click on value and enter 100.
Your absolute stream specification has been set:
Relative Specification
Suppose you want to formulate your specification as a function of
another parameter in the flowsheet. Specify that 95% of the butane in the
feed is recovered in the selected product stream.
Click on = in the linked text on the Flash Drum dialog box and click
on / parameter.
The linked text changes to
Select the first parameter as described above.
For the second parameter, select Total Unit Feed from the Constant/
Stream/Unit list on the Parameter dialog box, then select the param-
eter as before.
Return to the Flash Drum dialog box, click on value and enter 0.95.
Your relative specification is now complete.
If you want to make more complex specifications involving more than
two flowsheet parameters, use a CALCULATOR.
,
Note: Infeasible specifications are the leading cause of non-conver-
gence of flowsheets. The specifications you provide must be
realistic. For example, if a unit's feed streams contain 100
kg/sec of hexane, it would be infeasible to specify a product
recovery rate of 120 kg/sec of hexane.
80 Using Specification and Define Features
Define
The Define feature allows you to dynamically link the value of a variable
to that of an upstream variable that has already been calculated. When-
ever the upstream variable changes, perhaps as a result of being in a
recycle loop, the value of the Defined variable also changes according to
the Definition you have made. You can define almost any input parame-
ter. Some examples are shown in Table 19.
You know if a parameter is definable by the state of at the top of
the dialog box. Click in the field you want to define. If is
enabled, you can define the parameter.
Define
Example
A COMPRESSOR is linked to an expander elsewhere in the flowsheet, so
you want to define Work in terms of the work produced in that
EXPANDER.
In the Compressor dialog box, select Work from the drop-down list.
Click in the data entry field, outlined in red.
Click .
In the Definition dialog box, check the Set up Definition for Com-
pressor Work box.
Click on Parameter to display the Parameter dialog box.
Select Expander from the Constant/Stream/Unit list and select the
correct expander from the Unit Name list.
Absolute and Relative Definitions
Like a specification, a definition can be set as an absolute or a relative
definition.
An absolute definition could be:
Whereas a relative definition may be:
Table 19: Examples of Define
Define this parameter... ...in terms of this parameter...
column product rate estimate component flows in total column feed
compressor work expander work
flash drum temperature flash drum feed temperature
column top tray pressure expander outlet pressure
Define
Define
Define
Distillation Basics
In this chapter, we will take a closer look at the PRO/II column model.
Stage efficiency, simple principles, specifications and variables, as well
as non-linear equations and iterative methods, will be addressed.
Stage
Efficiency
Theoretical, or ideal, stages have the wonderful property that their prod-
uct streams are in equilibrium with each other. Of course in reality, ideal
stages, like ideal-anything, are seldom encountered.
When a liquid and vapor are brought into contact, mass moves across the
phase boundary until an equilibrium is reached and the net mass transfer
of each component ceases. The time required to reach equilibrium is
dependent on the rate of mass transfer, the contact time, and also how the
phases are brought into contact. Consider the stages shown in Figure 38.
For the reasons indicated in the figure, the small bubble contactor is
closer to an equilibrium stage than the large-bubble contactor.
Figure 38:
Effect of Bubble Size
on Stage Efficiency
PRO/II performs calculations in terms of theoretical stages, which means
that you will have to translate actual trays into theoretical stages. You
can use efficiency factors to describe how close a given stage is to theo-
retical. Efficiencies depend both on the design and operating conditions
of the tray. Under low flow conditions, for example, a bubble cap tray
may be more efficient than a sieve tray, and a bubble cap tray near the
top of a column may be more efficient than the same tray close to the
bottom of the column.
PRO/II has three tray efficiency models: Murphree, vaporization, and
equilibrium.
The Murphree model, illustrated in Figure 39, has a simple interpre-
tation on McCabe-Thiele diagrams. Instead of stepping all the way
to the equilibrium line, you only step part way. Unfortunately, Mur-
phree values are not widely available.
82 Distillation Basics
Figure 39:
Murphree Stage
Efficiency on a
McCabe Thiele
Diagram
(14)
The vaporization model is the simplest of the three models, and con-
sists of a multiplier, c, applied to the equilibrium K values for a com-
ponent.
(15)
That is, the vaporization for that component is artificially adjusted
versus the vaporization predicted by equilibrium. This model has the
advantage that it can be extended to multicomponent distillation by
defining different multipliers for different components or groups of
components. PRO/II even allows you to provide a different set of
multipliers on each tray.
The equilibrium model replaces K values with numbers that are
closer to 1.0, resulting in less-than-theoretical splits.
(16)
Typically the equilibrium efficiency, E
eq
, is between 0 and 1. In
terms of x and y this equation is:
(17)
As with the vaporization model, you can enter different efficiencies
for any component on any tray.
All of these tray efficiency models result in vapor leaving a tray that is
not at its dew point. This violates the basic assumption of equilibrium
used to derive the distillation column model. Therefore these tray effi-
ciency models should be used sparingly. Apply them only to a few trays
as needed to tune a model. Advanced users can use PRO/II's CON-
TROLLER to automatically determine the efficiencies that allow the col-
umn to meet survey values.
y
A
x
A
75% efficient:
step 3/4 to
equilibrium curve
y
A
x
A
z
z
100% efficient:
step to
equilibrium curve
E
i n ,
M
y
i n ,
y
i n 1 + ,
y
i n ,
*
y
i n 1 + ,
------------------------------ =
y
i
c
i
K
i
x
i
=
K
effective
K 1 ( )E
eq
1 + =
y
i
K
i
1 ( )E
eq
1 + [ ]x
i
=
The recommended method for determining tray efficiencies is the appli-
cation of overall efficiencies. The overall efficiency is defined as the
ratio of the number of theoretical stages to the number of actual stages
required to carry out a given separation. Of course the number of actual
trays must be greater than the number of theoretical trays. These factors
are well known for many applications, and satisfactory models may be
attained by using typical values.
A good practice is to divide the column into zones, and adjust the effi-
ciencies within the zones until the desired fractionation is achieved at the
measured temperatures and reflux quantities. The inherent advantage of
this approach over the supplied tray efficiency models is that the vapors
leaving the trays are always at their dew points. Table 20 gives some typ-
ical values for overall tray efficiencies.
Treat all condensers and kettle reboilers as true equilibrium stages
(100% efficient). Although subcooled condensers do not actually behave
as equilibrium stages, you should count them as 100% efficient when
you translate your column to a PRO/II model. PRO/II will make internal
,
Note: The above efficiency models have serious implications for the
column top tray in particular, since the condenser duty is
defined as the duty to condense the overhead vapor from its
dew point to the desired condensing temperature. Using a tray
efficiency on the condenser can result in a mixed phase leaving
the condenser. For this reason, PRO/II does not allow you to
apply efficiency factors to condensers. For similar reasons, you
cannot apply efficiency factors to reboilers.
Table 20: Typical Overall Tray Efficiencies
Unit Efficiency (%)
Simple Absorbers/Strippers 20-30
Reboiled Absorbers/Strippers 40-50
Deethanizers 60-65
Depropanizers 65-75
Debutanizers 80-90
Deisobutanizers (Refluxed) 85-95
Splitters
C2, C2- 85-95
C3, C3- 95-100
C4's or C5's 90-100
Notes:
1) Assume 65-75% for most columns with reboilers and condensers.
2) At low reflux, split insensitive to number of trays in the model.
3) Pumparounds usually modeled as 2 stages.
adjustments to ensure that subcooled condensers are simulated appropri-
ately.
You can reasonably expect a tray efficiency in the range of 65 to 75 per-
cent for any column with several distributed components and both
reboiling and condensing systems. The overall tray efficiencies increase
as the reflux ratio increases and the number of components in the system
decreases.
Pumparound circuits produce a zone of nearly constant liquid composi-
tion in a column. This reduces the fractionation in the zone and two
stages are adequate to represent the zone. The bottom stage is the draw-
off (usually also a product draw stage) and the top stage is the return
stage.
Equations
and
Unknowns
Equations
It is relatively simple to write the equations that describe a distillation
column. The same simple principles apply to all columns at steady state:
Mass and energy must be conserved.
The vapor and liquid leaving a theoretical stage must be in equilib-
rium.
The liquid and vapor mole fractions must sum to 1.
Some people like to remember this using the mnemonic, MESH, which
stands for: Mass, Equilibrium, Summation, enthalpy (H). Figure 40
shows the model for an equilibrium stage.
Figure 40:
General Equilibrium
Stage
L
j
, V
j
F
j
Q
j
x
j
, y
j
X
F
h
j
, H
j
T
j
, P
j
LD
j
VD
j
Liquid, vapor flowrate
Feed flowrate
Heater/cooler duty
Liquid, vapor mole frac
Feed mole fractions
Liquid, vapor enthalpies
Temperature, pressure
Liquid Draw rate
Vapor Draw rate
_
Subscript denotes
tray number
T
j
P
j
Q
j
LD
j
VD
j
V
j
y
j
_
L
j-1
x
j-1
_
L
j
x
j
_
V
j+1
y
j+1
_
F
j
X
F
_
Overbar denotes component
vectors: e.g., x = (x
1
, x
2
, ...x
NC
)
_
_ _
s Steady-state mass balances for each component on stage number j
yield NC equations:
(18)
s The statement of equilibrium also yields NC equations per stage and
is usually expressed in terms of K-values. The superscripts here indi-
cate component i:
(19)
s The summation equations contribute two equations per stage:
(20)
(21)
s An enthalpy balance around the stage gives one more equation per
stage:
(22)
The simple form of the enthalpy balance and equilibrium equations hides
the fact that the K-values and the liquid and vapor enthalpies (h and H)
are usually complicated, nonlinear functions of temperature, composi-
tion, and pressure.
Let NT and NC be the number of trays and components respectively. The
total number of equations for this simple column is:
Number of equations = NT (2NC + 3)
Unknowns
If you assume that the column pressure and all feeds are given, then the
total number of unknowns for a simple column with a reboiler and a bub-
ble-point condenser is:
Number of unknowns = NT (2NC + 3) + 2
Then, counting unknowns is easy:
s Each of the NT-2 trays has a liquid and vapor composition (2NC), a
temperature, and net liquid and vapor flowrates (+3) for a total of
(NT-2) (2NC+3) variables.
s The condenser (stage 1) has a liquid and vapor composition, a tem-
perature, a liquid return to the column (L
1
), a liquid side draw (the
overhead product), and a duty (Q
1
). The total is (2NC + 3)+1.
L
j 1
x
j 1
L
j
LD
j
+ ( )x
j
V
j
VD
j
+ ( )y
j
+ [ ] V
j 1 +
y
j 1 +
F
j
XF + + 0 =
y
j
i
K
j
i
x
j
T
j
P
j
, , ( )x
j
i
=
x
j
i
i
1 =
y
j
i
i
1 =
L
j 1
h
j 1
L
j
LD
j
+ ( )h
j
V
j
VD
j
+ ( )H
j
+ [ ] V
j 1 +
H
j 1 +
F
j
H
j
Q
j
+ + + 0 =
s The reboiler (stage NT) has a liquid and vapor composition, a tem-
perature, a vapor flow (V
NT
), a liquid side draw (the bottom prod-
uct), and a duty (Q
NT
). The total is (2NC + 3)+1.
Notice that there are two more unknowns than equations. Generally, a
unique solution exists only when the number of equations and unknowns
match. This distillation system needs two more equations (or two fewer
unknowns) to be solvable. Providing this information is your job!
Specifications
and Variables
You can balance the number of equations and unknowns in two ways:
s Eliminate two unknowns by providing their values
s Add two equations by providing operating specifications.
In PRO/II, you can use both approaches. For example, when you provide
a value for a column duty, PRO/II assumes that it is the value you desire
in your simulation. PRO/II eliminates that unknown by setting its value
to the number you provided. PRO/II assumes that certain quantities, such
as overhead and bottom product rates, are estimates while others, such as
duties and side draw rates, are the values that you desire. In doing so,
PRO/II always matches the number of equations and unknowns.
Specifications and variables are PRO/II's terminology for equations and
unknowns. A direct consequence of the always-balanced design feature
is that you must declare a new variable for every specification you want
the column to meet. By declaring a quantity as a variable, you are telling
PRO/II that its value is unknown and that PRO/II should adjust (or vary)
it to meet the specification. The choices for specifications are almost
limitless; variables, however, must come from the following categories:
s Duties
s Feed rates
s Side draw rates.
In the two product column described above, you might specify values for
the overhead temperature and reflux ratio and declare the condenser and
reboiler duties as variables. Any values that you provided for these
duties will now be treated as initial estimates. These specification-vari-
able pairs will cause PRO/II to adjust the values of the duties, as well as
the column traffic, tray temperatures, and compositions to meet the
required overhead temperature and reflux ratio specifications. You do
not have to declare tray temperatures, etc. as variables because PRO/II
already considers them as such.
Table 21 lists the default status of all column attributes. PRO/II adjusts
the Calculated quantities from iteration to iteration until all equations are
satisfied; they are unknowns (variables) whose values you seek. If you
provide a value for a calculated quantity, PRO/II treats it as an initial
estimate. Fixed quantities, in contrast, remain at their current values for
all iterations. Think of them as variables whose values you provide. If
you want PRO/II to calculate the value of a quantity, that by default is
fixed, declare it to be a variable and provide a specification. PRO/II now
treats its current value as an initial estimate.
Overhead and Bottoms Products
The product streams designated as overhead and bottoms have a special
significance and are required input. As indicated in Table 21, these
streams are normally calculated, so PRO/II considers the rates you enter
to be estimates. In contrast, PRO/II considers the values you enter for
side draw rates to be fixed. With multiphase condensers, the identity of
the overhead stream is ambiguous, and you are always free to designate
which of the condenser product streams is the overhead. If you do not
explicitly designate an overhead, PRO/II assumes the vapor stream is the
overhead. If there is no vapor, then the liquid stream is the overhead. For
CHEMDIST VLLE columns that produce two liquid phases (no vapor) at
the condenser, you must specify one of the phases as the overhead.
To impose specifications on a column, you enter them in the dialog box
shown in Figure 41. You can enter your list of variables in any order
because PRO/II does not associate individual variables with individual
Table 21: Default Status of Columns with No Specifications
Quantity Status
Overhead and Bottoms Rates Calculated
Side Draw Rates Fixed
Duties Fixed
Feed Rates Fixed
Tray Temperatures Calculated
Tray Pressures Fixed
Vapor and Liquid Rates Calculated
Product Properties (e.g. Viscosity) Calculated
Tray Vapor or Liquid Properties Calculated
,
Note: If you do not enter any specifications for a column, PRO/II will
fix the duties at the values you provided via the
and buttons. If you have not provided these val-
ues, PRO/II will fix them at their default values, zero, and your
column will almost certainly fail to converge.
Condenser. . .
Reboiler. . .
specifications. PRO/II adjusts all variables simultaneously to meet all
specifications.
Figure 41:
Specification and
Variables
In general, specifications and variables are local to a particular unit, that
is, you usually adjust a column variable to meet a specification on the
same column. Using PRO/II's powerful CONTROLLER unit, you can mix
specifications and variables from widely separated units. This unit is dis-
cussed in the PRO/II Workbook, Flowsheet Control and Optimization.
Nonlinear
Equations
and Iterative
Methods
In the previous section, you learned that, given proper specifications,
PRO/II can solve the distillation column equations to determine the val-
ues of the dependent variables. In practice, actually solving the column
equations is an inherently difficult task because they are nonlinear. Since
all of PRO/II's distillation column solving algorithms are iterative meth-
ods, a quick review of iterative methods is in order.
Iterative methods seek to solve equations of the general form:
f(x) = 0
The goal is to find a value of x (a root) that satisfies the above equation.
We will call this value x*. All iterative methods start with an initial
guess, x
0
, of the solution and generate a sequence of guesses: {x
1
,x
2
,
...,x
n
,...} that hopefully approach x*.
Newton' s Method
To illustrate a typical iterative technique, consider how the Newton
method solves the nonlinear equation, f(x) = 0. Figure 42 illustrates the
basic steps.
Figure 42:
Newton' s Method
1. Linearize the function about the current guess, x
n
. The linearization
about the guesses x
0
and x
1
are the tangent lines shown in Figure 42.
2. Solve for the root of the linearized equation and call it x
n+1
. Since
the linearized equation approximates f(x), we hope that x
n+1
, the
root of the linearized equation, approximates the root of the nonlin-
ear equation.
3. Test for convergence. For example:
If , then x
n
x
n+1
, go to step (1).
4. Done: , so x
n+1
is accepted as a root of f(x).
Nonlinear Pitfalls
There are few guarantees when it comes to solving nonlinear equations.
If you asked an equation solver to find the roots of the functions plotted
in Figure 43, it would fail for cases (a) and (c). Case (a) fails because the
function simply has no roots. Case (c) fails because of the continuum of
roots. Case (b) would solve; however the root it finds will depend on
your initial guess and might not be the one you desire.
Figure 43:
Function Types: No
Roots (a), Multiple
Roots (b), and Infinite
Roots (c)
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x
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x
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x
n
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n
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x
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x
n
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Vh
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9^VY^YdUB__dc 9^VY^YdUB__dc 9^VY^YdUB__dc 9^VY^YdUB__dc
Fortunately, mathematical models of physical processes will usually
have a steady-state solution if the process has a steady-state; this is the
least you would expect from a model. In steady-state distillation, multi-
ple solutions are uncommon except in problems involving chemical
reaction or the formation of heterogeneous azeotropes.
The reason you should be concerned with these solvability issues is that
you provide some of the equations (in the form of performance specifi-
cations and choice of thermodynamic methods) that PRO/II must solve.
If your specifications cause the distillation equations to have no solu-
tions, or infinitely many solutions, PRO/II will not be able to solve your
flowsheet. Such specifications usually constitute physically invalid oper-
ating conditions. For example, if you request an overhead product rate of
200 lb/hr from a column whose total feed rate is only 100 lb/hr, the mass
balance equations will have no solutions. Although the defect in this par-
ticular example is obvious, there are many examples where seemingly
valid specifications result in a column that has no solutions.
Even when your equations are well posed and do have a solution, there is
no guarantee that the iterative method will be able to locate the solution.
The success is somewhat dependent on the initial guess that you provide.
Figure 44 illustrates some interesting behavior of Newton's method.
Figure 44:
Initial Guesses for
Newton' s Method
s Close to x*, the function looks very similar to the one in Figure 42,
and an initial guess that is sufficiently close to x* will lead to conver-
gence.
s If, however, your initial guess is close to a local extremum, the value
at the next iteration will be either very large or very small, depending
on which side of the extremum your initial guess lies. An initial
guess at point A, for example, will yield a very large value of x for
the next guess. The algorithm will probably not be able to recover
from this.
2QTWeUcc
S_^fUbWUc
2edRUddUb
WeUccVQY\c
Vh
h
H
@UbY_TYS
2 3 4 1
s If you were lucky enough to guess point B, the next guess would be
very close to the solution as indicated in Figure 44. Points A and B
illustrate a paradox in iterative methods. Although point A is closer
to the correct solution (x*) than point B, an initial guess at point A
will not converge but an initial guess at point B will.
s Certain guesses close to the local minimum will lead to bounded
oscillations that will never settle down on a steady state. In Figure
44, guess C leads to guess D, and guess D leads to guess C. This
CDCD... sequence will repeat forever
The set of initial guesses that can be iterated to the solution is called the
basin of attraction for that solution. A large basin is desirable; it means
that the algorithm is forgiving of poor initial guesses. One of the great
strengths of PRO/II's I/O distillation and Enhanced I/O algorithms is that
they tend to have a large basin of attraction, and properly posed prob-
lems usually converge. The Chemdist and Sure algorithms, on the other
hand, tend to have smaller basins of attraction, therefore the quality of
the initial guess can make the difference between convergence and diver-
gence for these methods. The basin of attraction is also affected by the
shape of the function you are trying to solve. Figure 45 shows two func-
tions, f(x) and g(x), that have the same root but very different basins of
attraction for Newton's method. As indicated in the graph, f(x) can be
converged from a larger range of initial guesses.
Figure 45:
Basins of Attraction
for Newton' s Method
By now you should be convinced that it is important to provide good ini-
tial guesses for the column algorithms. To assist you in generating these
initial guesses, PRO/II provides several tools, called initial estimate gen-
erators, which will be discussed shortly.
Vh
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2QcY^_VQddbQSdY_^V_bVh
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Choosing
Feasible
Specifications
It is very easy to make mistakes in providing specifications, in fact, most
column simulation errors are caused by improper specifications. Col-
umns with physically infeasible specifications will fail to converge. You
must provide the simulator with meaningful specifications that uniquely
define the problem.
As you gain experience simulating distillation columns, you will find
that certain types of specifications are more likely to converge than oth-
ers. Consider the difference between imposing a purity and a recovery
specification on a column.
Generally speaking, purity specifications are more likely to be infeasible
than recovery specifications. For example, thermodynamics dictates that
you will never be able to obtain 80 mole percent ethanol in a two stage
column. This separation simply requires more than two stages, and the
simulation will reflect this infeasibility by failing to converge. You have
asked PRO/II to solve a system of equations that has no solution.
Recovery specifications, on the other hand, are almost always feasible
and hence are safer constraints to impose on columns. Your column
could recover 80% of the ethanol fed to it by simply maintaining a high
overhead flowrate.
A flowrate specification is an example of a potentially dangerous specifi-
cation in hydrocarbon systems that contain hydrogen and other non-con-
densable gases. Since only part of the overhead product can be
condensed, an overhead liquid flowrate specification can easily be infea-
sible.
Key Components
Understanding the concept of light and heavy keys will help you choose
appropriate specifications for your distillation problems. Distributed
components are the components that appear, in significant quantities, in
both the bottom and overhead products. The light key is the lightest of
the distributed components and the heavy key is the heaviest. The light
and heavy keys appear in small nonzero quantities in the bottom and
overhead streams respectively. You can identify the key components by
determining the percent recovery of each component in the overhead and
making a table such as the one in Table 22.
Components should be listed in volatility order for this analysis. For the
example in Table 22, note that components A and B do not appear in the
bottom product and components H, I, and J do not appear in the over-
head product. In other words, these components are non-distributed. You
should be careful in formulating specifications based on non-distributed
components. Such specifications are usually meaningless because the
tendency of the non-distributed components to exit from the top or bot-
tom of the column is so strong that operating adjustments will not affect
their split. It is almost impossible to operate a crude column to recover
2% of the methane in the bottom product; methane is simply so volatile
at the operating conditions of a crude column, that all of it will exit in the
overhead stream. This is an example of a specification that leads to a dis-
tillation operation with no solutions, like the function in Figure 43(a).
At the opposite extreme, if you specify that 100% of the methane exits in
the overhead stream, your crude column would have an infinite number
of solutions, like the function in Figure 43(c). Although this specifica-
tion is feasible, it is not a meaningful constraint on the column's opera-
tion because 100% of the methane would have exited in the overhead
whether you asked for it or not. Although this specification may be met,
it will not affect the operations of the crude column. It is vital that your
specifications contain quantities that the column variables have some
control over. This is why it is safe to formulate distillation specifications
around key component recovery.
Table 22: Separation Keys
COMP NBP %OVHD
Most Volatile A 50 100
B 65 100
Light Key C 79 98
Distributed
Components
D 102 50
E 120 12
F 125 15
Heavy Key G 135 2
H 150 0
I 270 0
Least Volatile J 290 0
,
Tip: For modeling purposes, non-distributed components can be
combined to simplify the modeling effort. This will help to
speed up the simulation.
The separation key table is also useful for determining the ideality of the
separation. In Table 22, components E and F do not distribute as you
would expect from their normal boiling points. You would expect that
proportionally more of component E would appear in the column over-
head product than component F. Therefore, there is some non-ideal
behavior with one or both of these components. Hydrocarbon systems
usually distribute according to their volatilities, making simplified analy-
ses possible. Unfortunately, systems with strong chemical interactions
are not as easy to analyze. For these systems, the presence of one chemi-
cal could radically alter the behavior for another. In fact, this is the prin-
ciple used in extractive and azeotropic distillation.
Initial
Estimate
Generation
You have already seen that the quality of the initial guess can make the
difference between convergence and nonconvergence. For a distillation
column, PRO/II requires initial estimates for all tray compositions, tem-
peratures, flowrates, etc., which you are free to input manually, or copy
from a previous run. In most cases, however, you will probably find it
easiest to use PRO/II's Initial Estimate Generator (IEG). The IEG saves
you the effort of inputting hundreds of guesses by automatically generat-
ing a complete set of initial guesses from a few key values that you pro-
vide. For particularly stubborn columns you can help the IEG to develop
a better starting profile by furnishing the reflux ratio and some key tem-
peratures if they are available.
Figure 46 illustrates the role the IEG plays in the simulation. PRO/II
requires you to provide a single value for column pressure; usually you
also provide the condenser, top tray, and reboiler pressures, P
1
, P
2
, and
P
N
respectively. In addition, you must supply values for all but one of the
product stream flowrates. For a two product column, it suffices to pro-
vide a guess for either the bottoms flowrate, L
N
, or the overhead flow-
rate. The IEG then examines these values, along with the column
operating specifications to generate initial estimates (denoted by the "0"
superscript) for all of the column variables, including duties. The solver
then takes these initial guesses and iterates to the correct solutions.
,
Tip: Before you go to the trouble of providing extra information,
such as temperature or composition profiles, try to run the col-
umn. If it converges, you have saved yourself some work. If it
doesn't converge, then start providing that additional informa-
tion.
Figure 46:
Initial Estimate
Generator
PRO/II provides four different methods to generate initial guesses. It is
your job to select the IEG model that is most appropriate for your prob-
lem. The choices are: Simple, Conventional, Refinery, and Chemical.
Simple The Simple model is PRO/II's default. It determines column profiles b
simple material balances and temperatures from estimates of the product
compositions. When you provide estimates on a few trays, PRO/II will
use linear interpolation to fill in the values on the remaining trays. It
works well with strippers and absorbers and is currently the only model
that will initialize liquid-liquid extractors.
Conventional The Conventional model works for the broadest category of problems
and should be tried first for most applications. It uses classic Fenske
shortcut distillation techniques to estimate product rates and composi-
tions, which are then used to estimate temperature. Internal tray flows
are set up with material balances over each tray, using any specified
product rates and the column reflux estimate. For multi-draw columns,
the Conventional IEG uses a shortcut method developed by SIMSCI.
User-supplied performance specifications and estimates are incorporated
whenever possible. When performance specifications are unsuitable for
shortcut calculations, e.g., internal column flows or tray temperatures,
the Conventional IEG must find other specifications. The first alternate
specification is always the estimated rate for the column overhead or bot-
toms product. The quality of the column initial estimate is therefore par-
ticularly sensitive to the overhead or bottom flowrate that you provide,
so estimate this value carefully.
P
1
P
2
P
N
L
N x
*
y
*
T
*
P V
*
L
*
Q
*
R
Q
*
C
x
0
y
0
T
0
P V
0
L
0
Q
0
R
Q
0
C
IEG Solver
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Column
Specs
,
Note: You must also supply the rates for all side draws. As indicated
in Table 21, these are handled differently from the overhead
and bottom draws. PRO/II treats the furnished side draw rates
as fixed quantities rather than as estimates.
Refinery The Refinery model was developed specifically for the multi-draw, side-
stripped columns that are common in petroleum refineries. It also has
special functionality to accommodate pumparound circuits and you will
typically use this method for atmospheric and vacuum crude columns,
FCC main fractionators, and coker columns. It applies the conventional
model to the main and side columns repeatedly until the estimates are
consistent with each other. For less complex columns, the Refinery and
Conventional models produce the same results.
Chemi cal The Chemical model is very time consuming and you should select it
only when the other models fail. It involves the calculation of a series of
adiabatic flashes up and down the column trays several times (if neces-
sary) to generate a good initial composition profile. Although it can be
used with any column solution algorithm, you will usually select the
Chemical IEG model only when you have highly non-ideal problems,
which require you to use the Chemdist column solving algorithm. These
problems are typically azeotropic, extractive, or reactive distillation.
Subsequent
Runs
Keyword users can instruct PRO/II to initialize the column calculations
through either the IEG or user-supplied profiles. Once a solution to a dis-
tillation problem has been attained, subsequent runs will execute faster if
you bypass the IEG procedure and supply the converged temperature and
vapor flow profiles directly to the column. This is strictly optional and
can be accessed only through keyword input files. See the User Supplied
Profile Estimates section in the PRO/II Keyword Manual.
PROVISION users need to be aware of how subsequent runs are initial-
ized. Assume that you have successfully converged your column and
wish to investigate the effect of slightly changing your specifications.
You would expect the new solution to be close to the previous solution.
With this in mind, PRO/II initializes the next run using the most recently
calculated product flowrates, rather than using the values you initially
estimated (recall that the IEG relies heavily on product rate estimates).
This strategy works well in the vast majority of cases because the previ-
ously converged results are usually better product rate estimates than are
the values you provide.
,
Note: A serious problem can arise when you attempt to correct and
rerun a failed column simulation. Often the final set of guesses
that the solver generates before it fails are very bad; see initial
guess A in Figure 44 for example. In this case, subsequent runs
will be initialized with the bad product flowrates and the IEG
will produce initial estimates that are so far from the solution
that they will never converge.
To remedy this problem, you can force PRO/II to use the initial rate esti-
mates that you provided. Simply uncheck the Use Previous Solution for
Initial Estimate box in the Column - Initial Estimates dialog box.
When a column appears in a recycle loop, the IEG is totally bypassed
after the first recycle iteration. Instead, PRO/II uses the previously calcu-
lated solution as the initial guess at the current recycle iteration.
Algorithm
Selection
Choosing the column algorithm is a relatively simple, but important task.
Table 23 summarizes some key features of the five column algorithms.
Your selection will be based on the following two factors:
s The thermodynamic complexity of the chemical species
s The mechanical complexity of the column.
Table 23: Distillation Column Algorithm Features
Feature I/O Sure Chemdist Liquid-
Liquid
Enhanced
I/O
Ver y Fast
Forgiving of Poor Initial Estimates
Side Strippers and Column Solved
Simultaneously

Built-in Thermosiphon Reboiler
Models

Built in Flash Zone Model
Pumparounds
Total Pumparounds
Packed Column
Tray Rating/Sizing
Tray Effi ciency
1
Water Decant on any Stage

VLWE on any Stage
Total Vapor and Liquid Side Draws
Rigorous VLLE on any Stage
Highly Non-Ideal Thermodynamics
Reactive Distillation
Two Liquids on any Stage
(1) Only vaporization effici enci es available.
Case 1 Thermodynamically simple but mechanically complex systems favor the
Inside/Out or Enhanced I/O algorithms. These are PRO/II's fastest, most
robust column algorithms and should be your first choice for most refin-
ery columns and for non-hydrocarbon systems that exhibit relatively
ideal thermodynamics. Robustness is one of their strongest features; its
ability to converge from poor initial estimates means that you do not
have to provide precise guesses for product flows and tray temperatures.
Very rough guesses often suffice.
The Enhanced I/O algorithm is superior to the I/O algorithm for columns
with total draws, or water decants off of column trays, since the algo-
rithm is designed to converge even when zero flowrates on trays are
present. The only drawback to using the Enhanced I/O algorithm over
the I/O algorithm is that the IEG does not work for all cases.
Case 2 Thermodynamically complex but mechanically simple systems are best
solved using the Chemdist algorithm. This algorithm is significantly
slower than I/O, but it rigorously handles three phase equilibrium and
can solve difficult problems such as reactive and azeotropic distillation.
Case 3 The Sure algorithm falls somewhere between the I/O and Chemdist algo-
rithms. Although it is slow and rather sensitive to initial estimates, it can
handle columns which are mechanically more complex than Chemdist
and thermodynamically more complex than I/O. It is a good choice for
refinery columns that have a liquid water phase on stages below the con-
denser.
Case 4 Multi-component liquid-liquid extraction columns are modeled as col-
umns made up of theoretical trays by use of the Liquid-Liquid method.
Two insoluble liquid phases are contacted on the trays with the compo-
nents to be extracted being selectively transferred from the heavy liquid
phase to the light phase. The thermodynamic system selected for the liq-
uid-liquid extraction column must be a liquid activity method which is
capable of predicting liquid/liquid equilibrium.
Setting up a Case Study
The PRO/II Case Study is an executive level feature that allows you to
perform parametric studies on a base case solution by altering data selec-
tively and re-running. A Case Study allows you to make changes to input
data and examine the effect of those changes on the values of calculated
data or functions of calculated data.
A case study allows you to change the value of a specification but not the
type of specification. A case study does not allow you to change the
flowsheet by adding or replacing unit operations or streams.
Terminology
To understand the case study function properly, you must be familiar
with the terminology.
You can have only one Case Study in a PRO/II flowsheet.
A Case Study consists of a number of Cycles.
Each Cycle represents a flowsheet solution.
You select the input Parameters you want to change. For each cycle, you
enter the changes you want to make to the parameters.
You select the output Results you want saved for later examination. A
result can be the value of one flowsheet parameter or a function of two
flowsheet parameters.
You can change as many parameters and save as many results as you
need.
Entering
Case Study
Data
You can enter case study data before you run the base case. When the
program runs, the base case will be executed first and the case studies
will be executed afterwards. Alternatively, you can run the base case
first, then enter case study data and execute the case studies. You can
open an already solved flowsheet, add case study data to it and then exe-
cute the case studies.
Defining
Parameters
You must specify which parameters are to be changed. For each parame-
ter you must supply the:
Starting valueyou can supply a fixed value or an offset relative to
the base case value.
100 Setting up a Case Study
Start cyclethe cycle at which the starting value is used and after
which the incremental changes are implemented. Cycles before the
start cycle use the value in the base case.
Incremental change per cycle that is to be applied to the starting value.
End cyclethe cycle at which the changing is to end. Cycles after the
end cycle use the value in the end cycle. If you define the end cycle
to be the same as the start cycle, the parameter will adopt its starting
value at that cycle and keep the value constant for subsequent cycles.
Click the Case Study button on the toolbar. In the Case Study Param-
eters and Results dialog box, check the Define Case Study box.
Figure 47:
Case Study
Parameters and
Results Dialog Box
In the linked text for the first parameter in the grid, click on
Parameter and select a parameter.
The default for both start and end cycle is 1; change them as
required.
The starting value defaults to the value in the base case. To change it,
click on base case value and enter one of:
an actual value
a value equal to the base case value plus or minus an offset
a value equal to a percentage (or fraction) of the base case value
The incremental change per cycle defaults to zero. Click on it and
define the incremental change as an absolute value or a value relative
to the base case value.
An example of a completed entry is shown below.
To change another parameter, add a row to the grid and repeat the pro-
cess. All parameters are varied concurrently.
Defining
Results
Each case study cycle represents a flowsheet solution. Because of disk
space considerations, the full results of each cycle are not stored on the
data base. So, before you execute the run, you must define those Results
that you want to be retained for later examination.
You define a result as:
a calculated flowsheet parameter
a function of a calculated flowsheet parameter and another flowsheet
parameter (calculated or input) or a constant.
In the linked text for the first Result in the grid, click on Parameter and
select a parameter. Add a row to the Results grid and repeat the proce-
dure for the second result you want to save. If you want to define a result
as a function, click on = and select an operator.
Executing
the Case
Study
Click the Run button to execute the simulation. By default, the Base
Case and all case study cycles will be executed. You can restrict this
using the Execution Options list option in Case Study Parameters and
Results dialog box.
When the base case and the case studies have solved, all input parame-
ters and output results are available for you to examine in tables and as
plots by selecting Output/Case Study from the menu bar.
You can define any number of Tables. In each table you can choose
to present any or all of the parameters and results.
You can define any number of Plots. You can choose one parameter
or result or the cycle number to be the x-axis. All other data are plot-
ted on the y-axis.
102 Working with Keyword Input Files
Working with Keyword Input Files
Keyword input files (.INP) are free format ASCII text files that define a
PRO/II simulation using specific commands known as keywords. You
can import, export, and run keyword files within the PROVISION. Key-
word files play many important roles in PRO/II:
They provide an alternate interface with the PRO/II calculational
module.
They allow you to maintain compatibility with simulations that were
run with earlier versions of PRO/II.
If you need help with a simulation, you can send your keyword file
to SIMSCI for technical support.
They provide a compact means of storing simulation input.
If you have several similar flowsheets to run, you can create the first
simulation within the GUI and then modify its keyword file and run
the rest using the Run Batch option and/or the Case Study option.
You can import existing keyword files into the GUI using the Import...
option from the File menu. This produces a .PRZ file within PROVI-
SION if all the features are supported.
To generate a keyword file from your existing simulation file, choose the
Export... option from the File menu and select Simulation Data to Key-
word File. Enter the path and file name and click . By default, key-
word files have the extension .INP.
Keyword files are easy to read and understand and data are entered in the
following order:
GENERAL DATA
COMPONENT DATA
THERMODYNAMIC DATA
STREAM DATA
REACTION DATA
PROCEDURE DATA
UNIT OPERATIONS DATA
CASE STUDY DATA
You can run keyword files directly using the Run Batch option from the
File menu, which is discussed in the next chapter.
OK
Running the Simulation
You can run a PRO/II simulation in several ways:
Interactivelyavailable when your PRO/II simulation contains only
fully supported GUI features.
Run Batch modeavailable when executing either keyword input files
or simulation files batchwise and not through the PFD window.
Run-Only modeavailable for executing imported keyword input files
with features that are not supported in the GUI.
Interactive
Run
Capabilities
To run your PRO/II simulation interactively, you have two options: the
Run button on the toolbar and the buttons on the Run palette.
The easiest way to run your simulation interactively is to click the Run
button on the toolbar. This button will be bordered in red until you have
entered the required input data. If you don't need to add breakpoints or
otherwise step through your simulation, this is the quickest method.
You can stop an ongoing simulation using the Stop button and restart it
with the Run button, if desired.
The Run
Palette
For more control over your interactive simulation, use the buttons on the
Run palette. Through the Run palette you can perform any of the follow-
ing tasks:
Check the consistency of your input data.
Set breakpoints and step through a simulation.
View the flowsheet convergence and simulation results.
To view the Run palette, choose View/Palettes from the menu bar and
highlight Run. PRO/II disables the buttons on this palette until you have
supplied all required input data (i.e., there are no red-bordered buttons,
unit identifiers, or stream identifiers). Table 24 describes the Run palette
buttons and their functions.
104 Running the Simulation
Unit Color
Cues
As your simulation progresses, individual unit operations change color
(unless you disable the Show Run Colors option from the View menu).
Table 25 details the relationship between the unit status and its color.
Table 24: Run Palette Buttons
Button Function
Enables you to view global status messages for the current
simulation.
Checks the input data for inconsistencies.
Executes the simulation, either from the beginning or from a
breakpoint. Before execution, the input data is checked for
inconsistencies.
Enables you to step through the execution of the simulation by
stopping at each unit operation in the calculation sequence.
Stops the simulation during execution. PRO/II completes its current
calculation before stopping.
Enables you to select the units you want to assign as breakpoints.
When the simulation is executed, it stops at these breakpoints.
Enables you to start the execution from any specified unit. You select
a unit by highlighting it and then clicking this button.
Enables you to view the calculation history and any error messages
that arise.
Enables you to view detailed output results of a highlighted unit
operation or stream in the flowsheet of a simulation.
Enables you to see which units are assigned as breakpoints, by
displaying these unit icons in magenta. Clicking the button a second
time causes the flowsheet to revert to normal display.
Status
Check Data
Run
Step
Stop
Set Breakpoints
Goto
Messages
View Results
Show Breakpoints
Table 25: Unit Color Coding
Color Significance During Simulation Execution
Pale Green Unit operation has not been calculated.
Red Unit operation has failed to solve.
Green Unit operation is in the process of being calculated.
Blue Unit operation has been solved.
Magenta Unit operation is at a breakpoint.
Dark Blue Unit operation was solved in a previous run.
Using
Breakpoints
You can place breakpoints before and/or after any unit operation or loop
by clicking .
Figure 48:
Breakpoints
Dialog Box
To set breakpoints using the Breakpoints dialog box, select the desired
breakpoint type(s) using the appropriate check box. Select one or more
units from the list and close the dialog box. You will remain in Break-
point mode and the pointer will have a B attached to it. When you run
the simulation, it will stop executing when it reaches a breakpoint.
To set breakpoints using the PFD, click to display the
units with breakpoints. With the Breakpoints dialog box open, activate
the check box to place the breakpoint before the unit, the check box to
place it afterwards, or both. Click on the unit for which you want to set a
breakpoint. The unit will turn magenta.
Run Batch
Mode
You can execute keyword input (.INP) files and/or existing flowsheet
simulation (.PRZ) files in Run Batch mode from within PRO/II. Running
files in batch mode generates the standard PRO/II output file for each
simulation. While executing batch simulations, you can continue to use
other Windows-based applications.
To run a batch simulation:
Close any open simulation.
Select File/Run Batch from the menu bar and load a previously saved
list of files using or, select the files you want to simu-
late using .
Click twice to run simulation in batch mode.
You can terminate the currently executing simulation by clicking
or the entire batch execution by
clicking .
Set Breakpoints
Show Breakpoints
Load List...
Add Files...
OK
Terminate Currently Executing Problem
Terminate Batch Run Execution
106 Running the Simulation
Run-Only
Mode
Certain keyword features in PRO/II are unsupported in the GUI. If
PRO/II detects any of these unsupported features (i.e., solids unit opera-
tions), you are only allowed to import the keyword input file in Run-
Only mode.
In Run-Only mode, you can:
Review and modify the appearance of the PFD. You can move unit
operation icons and streams to improve the appearance of your PFD.
Add drawing elements, STREAM PROPERTY TABLEs, and OLE objects
to the PFD.
Perform all Run functions.
Export the flowsheet diagram and STREAM PROPERTY TABLE infor-
mation to other Windows applications.
Edit the keyword input file, reimport it, and rerun it without having
to leave PRO/II.
Use the flash and BVLE hotkeys.
In Run-Only mode you cannot:
View simulation data within the data entry windows (this includes
component and thermodynamic data).
Perform any input function such as changing the calculation
sequence. All buttons and menu options that access input simulation
data are disabled.
Add/delete units or streams, or disconnect/reconnect streams.
Export the PRO/II keyword input file.
Generating Output
PRO/II helps you generate accurate, professional reports. The standard
output report format gives you comprehensive information on all unit
operations and stream properties. Or, you can enhance your own reports
by including plots, tables, and flowsheet diagrams from PRO/II. You
have a wide variety of options at your fingertips for tailoring your simu-
lation results to meet your specific needs including: customizing the out-
put report format, exporting data to spreadsheet programs, creating plots
and tables, and annotating your flowsheet.
Interactive
Output
You can interactively view summary results for units and streams. For
individual units, right-click on the unit and select View Results from the
menu. For individual streams, right-click on the stream and select View
Results from the menu.
You can change the default viewer used for displaying individual stream
or unit output results by selecting Options/Viewer from the menu bar.
Your options are Editor, (HTML) Viewer, and Default Browser (such as
Netscape Navigator or Microsoft Internet Explorer).
You can present stream data on the Process Flow Diagram in the form of
stream labels. A Stream Property Table is also very effective.
By default, the stream label shows the stream identifier. You can present
more information on the stream label. Right-click on a stream and select
Display from the menu. In the Stream Style dialog box, set desired style.
-200.0 -150.0 -100.0 -50.0 0 50.0 100
0
400.0
800.0
1200.0
1600.0
2000.0
Saturated
Vapor
Critical Point
Saturated
Liquid
15% Liq. Saturated
Vapor
10% Liq. 5% Liq.
Project
A
BC:
Final
Results
Stream Property Table
Microsoft Excel
Plots
Output Report
1
7
2
3
4
5
6
C1
1
14
2
3
4
5
6
7
8
9
10
11
12
13
C2
1
22
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
C3
F100
2
3
4
5
6
7
PROJECT ABC
Flowsheet Diagram
14 CUT14 929.9999 929.9999 859.9471 70.0528
18 CUT18 280.0000 280.0000 279.9494 0.0506
MOLE FRAC H/C LIQUID 0.0000 0.0000 1.0000 0.0000
TOTAL RATE, LB-MOL/HR 8793.9990 8793.9990 3803.1150 4990.8843
PROJECT TRAINING PRO/II OUTPUT
PROBLEM DEW PT CALCS STREAM MOLAR COMPONENT RATES
=========================================================================
STREAM ID 1V 2V 3L 3V
NAME DEW_VAPOR DEWHC_VAPOR DEWWTR_HCLIQ DEWWTR_VAPOR
PHASE WET VAPOR WET VAPOR WET LIQUID WET VAPOR
FLUID RATES, LB-MOL/HR
1 WATER 2999.9998 2999.9998 378.4306 2621.5688
2 CO2 35.0000 35.0000 2.4576 32.5424
3 N2 30.0000 30.0000 0.8023 29.1977
4 C1 889.9999 889.9999 46.8987 843.1011
5 C2 300.0000 300.0000 32.8930 267.1070
6 C3 520.0000 520.0000 93.9485 426.0515
7 IC4 105.0000 105.0000 26.5595 78.4405
8 NC4 283.0000 283.0000 80.1884 202.8116
9 IC5 100.0000 100.0000 38.0399 61.9601
10 NC5 133.0000 133.0000 54.0894 78.9106
11 CUT11 165.0000 165.0000 99.2135 65.7865
12 CUT12 303.0000 303.0000 202.6387 100.3614
13 CUT13 559.9999 559.9999 452.9087 107.0913
15 CUT15 300.0000 300.0000 295.4998 4.5002
16 CUT16 300.0000 300.0000 298.8902 1.1098
17 CUT17 300.0000 300.0000 299.7665 0.2335
19 CUT19 260.0000 260.0000 259.9930 6.9762E-03
TEMPERATURE, F 817.6355 817.6362 362.7227 362.7227
PRESSURE, PSIA 300.0000 300.0000 300.0000 300.0000
ENTHALPY, MM BTU/HR 498.0910 498.0914 99.0669 87.3452
MOLECULAR WEIGHT 94.3977 94.3977 177.0008 31.4532
MOLE FRAC VAPOR 1.0000 1.0000 0.0000 1.0000
MOLE FRAC TOTAL LIQUID 0.0000 0.0000 1.0000 0.0000
MOLE FRAC FREE WATER 0.0000 0.0000 0.0000 0.0000
108 Generating Output
Figure 49:
Stream Style Dialog
Box
If you make the selections shown above, the label display appears as:
You can move the labels by clicking and dragging them above, on, or
below the stream line.
Stream
Property
Tables
PRO/II's STREAM PROPERTY TABLE feature displays and prints data for
flowsheet streams.
To create a STREAM PROPERTY TABLE:
Click the STREAM PROPERTY TABLE button on the PFD palette, or
select Output/Stream Property Table from the menu bar. A green
outline appears attached to the cursor.
Anchor the table to the PFD by clicking the left mouse button at the
desired location.
Double-click on the table to open the Stream Property Table dialog
box.
Figure 50:
Stream Property
Table Dialog Box
Select a table type from the Property List to be Used list. Change the
table's appearance using entries in the Table Appearance box. Select
the streams you want displayed.
The simplest property table is the Short Property List which shows the
stream attributes below.
Output
Report
You can examine most of your simulation results through the output
report (.OUT file).
Report
Options
PRO/II contains a wide variety of report options for customizing your
output format. To set these options, select Report Format from the Out-
put menu. From the sub-menu select:
Units of Measure
Miscellaneous Data
Stream Properties
Unit Operations
,
Note: If you want to define your own table, refer to the Customizing
the Flowsheet chapter that follows.
Units of Measure
On the Default Units of Measure for Problem Output Report dialog box,
you can choose the units to be used for your output report. By default,
the output units of measure set is identical to the input set. If you choose
to use a different set for the output, you can use either a library set or the
input set as a basis and you can modify the units used for individual
properties as desired.
You can also choose to print out two output reports, one in input mea-
surements and a second in the units of your choice. A single output file
will contain both reports.
Miscellaneous Data
In the Miscellaneous Report Options dialog box, you can choose,
amongst other things, which portions of the input data you would like
reported (such as, the binary interaction parameters of defined library
components) and whether to include the flowsheet mass balance in your
output report.
Stream Properties
You can choose the way in which your stream data are reported (i.e., in
terms of moles, weight, liquid volume, or gas volume) by selecting
Stream Properties from the Report Format menu. You can also select if
you want TBP Distillation reports to be printed.
Unit Operations
You can set print options for individual FLASH DRUMs, COLUMNs, and
REACTORs by selecting Unit Operations from the Report Format menu.
Highlight the unit of interest and click . The Print
Options dialog box for the highlighted unit appears and you can choose
which items you want included in your output report.
Alternatively, you can double-click on the individual unit operation on
the PFD and click to get the Print Options dialog box.
Generating a
Report
To generate an output report for your simulation, click the Generate
Report button on the toolbar or select Output/Generate Report from the
menu bar. The default editor appears displaying the contents of your out-
put report. PRO/II appends the .OUT extension to your file name and
saves the output file in the same directory that you saved your simulation
files. The default directory is C:\SIMSCI\PROII\USER.
Once you have created your output report, you can view it at any time by
selecting Output/View Report from the menu bar. Your default text editor
displays the output report.
Print Options...
Print Options...
Plots
You can generate and display a variety of graphical plots for your output
data. PRO/II plots output results for:
COLUMN internal flowrates, temperature, and composition
COLUMN separation factor, used for the analysis of column feed point
and tray performance
HEAT EXCHANGER zone analysis
PHASE ENVELOPE
HEATING/COOLING CURVE
Case Study results
Physical Properties
Feed stream assay curves
Plot Drivers PRO/II can display plots using the SIMSCI driver or the following third
party packages, such as Microsoft Excel and GNUPLOT (Microsoft
Windows version). With Microsoft Excel, you can change plot colors,
axis titles and other attributes to create a presentation quality graph.
To change your plot driver, choose Options/Plot Setup from the
menu bar.
Generating a
Plot
To generate a plot in PRO/II:
Select Output/Generate Plot from the menu bar.
Select a unit and an Available Plot, and click .
You can:
Copy your plot to the Clipboard.
Export the plot data to a file as either tab-delimited text or comma-
delimited text.
Print your plot.
Save your plot for future reference.
Open previously saved plots.
Figure 51 shows the flowrate and temperature profiles for a demetha-
nizer column, generated by PRO/II using the default SIMSCI plotter.
Plot...
Figure 51:
Column Flowrate and
Temperature
Profiles
Exporting
Data
You can save the keyword input file, flowsheet diagram, and the Stream
Property Table using the Export option on the File menu. Saving plots,
properties, and case study results generated in PRO/II are also addressed
below.
Keyword Input FileThe default export option in Export dialog box,
it generates the keyword input file (.INP) for the active simulation.
FlowsheetAfter exporting the flowsheet diagram, you can import it
into other Windows applications using the Clipboard.
Stream Property TableThe table can be saved as either tab-delimited
text or comma-delimited text. Once you've saved your STREAM
PROPERTY TABLE as a text file, you can import it into Microsoft
Excel (or any other spreadsheet program) and then use its data pro-
cessing capabilities to manipulate and process your data.
Plots or Plot DataYou can export data to Microsoft Excel by select-
ing Tools/Spreadsheet from the menu bar. You can also export plots,
column reports, stream properties, and component rates. You can
copy Case Study tables and plots to the Clipboard by selecting Out-
put/Case Study from the menu bar. To do so, open an existing table
or plot and select File/Export from the graph window to save the
data.
Customizing the Flowsheet
The Options
Menu
PRO/II allows you to custom-build your process environment, define
your own stream property and units of measure lists, or choose your
favorite editor or viewer. It's all under the Options menu, described in
this section.
Stream
Property Lists
Select Stream Property Lists from the Options menu to create and main-
tain property lists for STREAM PROPERTY TABLES. Within the Define
Property List dialog box, you can create, modify, delete, and save prop-
erty lists. You can also:
Reorder the property entries in a selected list.
Change the format of the displayed data values.
Change the overall appearance of the table by adding blank lines or
text, altering the line, border, and/or cell character widths.
The data formats originate from the C programming language. Table 26
shows more details. Since PRO/II stores new property lists unless you
explicitly delete them, you can use the same property list in more than
one simulation.
Your custom table will appear in the Property List to be Used list when
you add and open a STREAM PROPERTY TABLE on the flowsheet.
Units of
Measure Lists
The Units of Measure (UOM) library contains three default sets:
English, Metric, and SI. You can create, copy, edit, rename, or delete
UOM sets for the Units of Measure library. Clicking allows
you to choose English, Metric, or SI as a basis and modify the set to fit
your requirements. PRO/II stores user-defined UOM sets in the library.
You can specify any set as a global default or as a simulation default for
either input data or output reports. The global default set remains in
effect for future PRO/II sessions, whereas a simulation default only
Table 26: Data Formats
Format Print Type
%d integer
%f floating point number
%.nf floating point number with n decimal places
%s character string
Create...
114 Customizing the Flowsheet
affects the current simulation and is selected by clicking the UOM tool-
bar button.
Drawing
Defaults
You can set three types of drawing defaults:
General
Unit Display
Stream Display.
General Drawing Defaults include zoom increments, pan increments,
paper size, the unit icon palette, and other miscellaneous features,
including a check box to prompt for unit and stream names as they are
created. Figure 52 shows the General Drawing Defaults dialog box.
Figure 52:
General Drawing
Defaults Dialog Box
Choosing Unit Display from the Drawing Defaults menu gives you the
Unit Display dialog box. In this dialog box, you can select the type of
unit operation you want to change and enter any changes for the label
format and starting number. For certain operations, you have a choice of
icon symbol. These changes affect any unit operation that you subse-
quently place on the PFD. However, they will not change existing units.
Figure 53 shows the Unit Display dialog box with the SIMPLE HEAT
EXCHANGER icon selected. For this unit operation, you have a choice of
five icons.
To change the style of an individual unit on the PFD, right-click on the
unit to access the unit menu, and choose Display. A similar dialog box
will appear.
Figure 53:
Unit Display Dialog
Box
Choosing Stream Display from the Drawing Defaults menu brings up
the Stream Style dialog box shown in Figure 54. This dialog box allows
you to change various aspects of the stream style.
Alternatively, you can change the number or label of an individual
stream in a Stream Data dialog box without altering the ongoing num-
bering sequence.
Figure 54:
Stream Style Dialog
Box
Simulation
Defaults
You can set five types of Simulation Defaults:
Problem Description
Units of Measure
Thermodynamic System
Assay Characterization
Autosave
Select Problem Description to enter a user name, project identifier, site,
site, date, and problem description that will be included each time you
open a new simulation. This feature is useful for defining problem
description items that don't change frequently.
As previously mentioned, the Units of Measure option allows you to set
the default units of measure for data input and the default set for output.
This feature allows you to match your company's measurement stan-
dards. Note that English units are the startup default.
PRO/II does not have a default thermodynamic system. However, you
can select a default method by selecting the Thermodynamic System
option.
Select Assay Characterization allows you to set defaults for characteriz-
ing your assay data. Again, you can match standard company procedures
with this feature. Clicking will reset PRO/II to its orig-
inal internal defaults.
Select Autosave to specify how frequent you want PRO/II to save your
current work. This option is not active by default.
Other Options The Options menu also contains a series of miscellaneous tasks. Select
the appropriate option to carry out the associated function:
Colorschange the default PRO/II colors, such as icon fill color, the
flowsheet color, and the border colors for the different data types, as
well as the border style and line width.
Editorchange the editor (such as Brief, Edit, or Notepad) that is
used to display and print keyword input files and output reports. The
default editor is the Programmers File Editor (PFE).
,
Note: This can be a dangerous option to set, as choosing an inappro-
priate thermodynamic system will cause erroneous results.
Restore Defaults
Viewerchange the default viewer used for displaying individual
stream or unit output results; options are Editor, (HTML) Viewer,
and Default Browser (such as Netscape Navigator or Microsoft
Internet Explorer).
Fontchange the font, font style (bold, italic, etc.), and font size
used for the palettes and the dialog box displays.
Plot Setupadd a new plot driver or to change the default plot driver.
New File on Startupuse this toggle option () to automatically cre-
ate a new file upon startup of PRO/II.
Welcome to PROVISION Windowuse this toggle option () to bypass
or restore the welcome message for future PRO/II sessions.
Suppress Run Warningsuse this toggle () to suppress the appear-
ance of the Status dialog box so that the run continues without inter-
ruption.
Maximize on New Fileuse this toggle () to maximize a new file
when created.
Adding
Objects to
the PFD
Drawing 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 with-
out interfering with simulation data. From the Draw menu, you can add
the following objects: text, line, polygon, rectangle, ellipse, and page.
Select Ellipse, Line, Polygon, or Rectangle to add the desired shape to
the diagram. Use the <Ctrl> key to draw orthogonally-connected lines,
polygons, squares and circles. For lines and polygons, press <Space> to
set each anchor point for drawing in a new direction.
Select Text to include notes on your drawing. Once you choose text
mode, you remain in text mode as long as you continue to click on
the Draw Text dialog box; choosing exits text mode.
Select Page to mark off a section of your flowsheet diagram. You can
then use the Export option from the File menu to export only this
selected portion of the flowsheet to the Clipboard. Select File/Print... to
print the selected page.
OK
Cancel
OLE Objects
You can place OLE objects into PRO/II allowing communication in
transferring documents between two Windows applications. Any OLE
object that has been properly registered within the Windows operating
system can be inserted into the PRO/II simulation by selecting Edit/
Insert Object from the menu bar.
Use the Create New and Create from File radio buttons to select the
method in which the object is to be created. Selecting Display As Icon
tells PRO/II not to display the embedded document and show only the
application icon.
To embed the application document within PRO/II, select Create New
and the object type from the list of Windows registered objects.
To create an object from an existing document file, such as a Microsoft
Excel spreadsheet for example, select the Create from File radio button
in the Insert Object dialog box. Enter the name of the document file or
click to locate the file. Browse...
Index
A
Alcohol package 37
Algorithms 97
Assay
characterization options 57, 116
data entry 50
distillation data 50
generating curves 49
Assay processing
controlling 58
defining cuts 53
interpolating distillation curves 53
process light ends 54
steps 52
Autosave 116
Average gravity, calculating 55
B
Basic steps for building a simulation 14
Batch mode, running files in 105
Binary interaction parameters 110
Bottoms stream 87
Breakpoints 105
Buttons
dialog box 10
toolbar 9
BVLE hotkey 63
C
Calculation engine 1
Case study
parameters 99
results 101
running 101
terminology 99
Characterization options, assay 57
Chemdist algorithm 98
Chemical IOG method 96
Color cues
change defaults 116
during data entry 10
during execution 11
Welcome dialog box 6
Column
plot 111
stage efficiency 81
types 65
Component properties
categories 27
correlation coefficient plots 29
DATAPREP 31
fixed 28
polymer 31
refinery inspection 31
solid 31
temperature-dependent 29
UNIFAC structure data 31
user-defined 31
Components
databanks 23
defining 15, 21
fill from structure 25
ionic 27
library 21
petroleum 23
polymers 26
property prediction 25
selecting 21
solid 26
types 21
user-defined 25
Components, key 92
Composition, stream
compositional 47
entering 47
petroleum assay 48
polymer 62
reference 58
solids 61
standard conditions 48
Control-menu box 8
Conventional IOG method 95
Conventions, workbook 4
Convergence, recycle 44
Copying
simulation 6
streams 63
Creating a new simulation 6
Cutpoint set
adding a secondary 58
modifying the primary 58
Cuts, defining 53
D
Data entry windows 10
Data export options 112
Databanks 23
DATAPREP 31
Decant option, water 39
Declaration, procedure 76
Defaults
drawing 114
flowsheet 17
global units of measure 19
simulation units of measure 18
Define 80
Deleting a simulation 6
Desktop 7
Display, stream 115
Display, unit 114
Distillation curves, interpolating 53
Documents 3
Draw menu 117
Drawing defaults
general 114
stream display 115
unit display 114
E
Edit menu 13
Editor 116
Efficiency, stage 81
Electrolytes
component models 27
thermodynamic methods 37
Ellipse 117
English units of measure 20
Enhanced I/O algorithm 98
Enthalpy balance 85
120 Index
Entrainment 73
Equations 84
nonlinear 88
Equations of state (EOS) 36
Equilibrium model 82, 84
Equilibrium statement 85
Examples
assay stream 50
case study 101
column profile 111
component property plots 29
define 80
label display 108
specification 78
stream property table 109
stream thermal conditions 46
thermo applications 40
Exporting data options 112
F
Feed streams 43
File menu 6
Fixed properties 28
Flash calculation
defining 70
dew and bubble point models 72
entrainment 73
mixer 71
overview 69
PRO/II unit operation 69
solution approach 69
splitter 71
valve 71
water and hydrocarbon models 72
Flash hotkey 62
Flowsheet
adding OLE objects to 118
adding shapes to 117
building 14
copying streams 64
defaults 17
exporting 112
panning over the 11
Flowsheet manipulation unit ops 67
Font 117
FORTRAN-based statements 76
G
Generalized correlations 36
Global units of measure 19
Glycol package 37
Graphical user interface (GUI) 2
Gravity
calculating the average 55
data 24, 51
H
Heat exchangers 66
Heat of reaction data 75
Help 3
Help menu 3
Hydrocarbon-water mixtures 39
I
Ideal methods 36
Importing keyword input files 6, 102
Initial estimate generation
chemical 96
conventional 95
overview 94
refinery 96
simple 95
Input files 102
Input menu 8
Input units of measure
See Units of measure
Inside/Out (I/O) algorithm 98
Interaction parameters, binary 110
Intrinsic functions 76
Ionic components 27
Iterative methods 88
K
Key components 92
Keyword input file
exporting 102, 112
importing 6, 102
running in batch mode 6
Kinetic data 75
Kinetic procedure data 76
L
Launching PRO/II 6
Library
component 21
component databanks 23
DATAPREP 32
units of measure 19
Light ends
analysis 51
process 54
Line 117
Linked text 5
Liquid activity (LACT) methods 36
Liquid-liquid algorithm 98
M
Main window
components 8
figure 7
Maximize on new file option 117
Menu
draw 117
edit 13
file 6
help 3
input 8
options 113
output 101, 108
summary of functions 8
tools 62
view 11
window 12
Menu bar 8
Methods, iterative 88
Metric units of measure 20
Mixer 71
Molecular weights,calculating 56
Multiple feeds 67
Multiple thermodynamic methods 41
Multiple view capabilities 12
Murphree model 81
N
New file on startup option 117
Newtons method 88
Nonlinear equations 88
Normal boiling point
calculate 55
data 24
Normalize option 47
Number of unknowns 85
O
Objects
drawing 117
OLE 118
Online help 3
Opening a simulation 6
Options menu
drawing defaults 114
miscellaneous tasks 116
simulation defaults 116
stream property lists 113
units of measure lists 113
Output
interactive 107
stream property table 108
stream style 107
tables 107
units of measure 19
view results 107
Output menu 101, 108
Output report
generating 110
options 109
print options 110
Overhead stream 87
P
Pages 117
Palettes
PFD 11
Run 11
Panning the flowsheet 11
Parameters, case study 99
Particle size distribution
polymers 26
solid components 26
Performance specifications 86
Petroleum assay stream
assay data entry 50
assay processing 52
defining 48
distillation data 50
generating assay curves 49
gravity data 51
lightends analysis 51
Petroleum components
applications 24
defining 23
gravity data 24
normal boiling point data 24
set of 57
PFD palette 8, 11
Phase change unit operations 65
Phases
product 68
stream 46
Plot
drivers 111
exporting 112
generating 111
options 111
setup 117
Polygon 117
Polymers
defining 26
particle size distribution 26
properties 31
stream 62
thermodynamic methods 37
Pressure change unit operations 65
Primary cutpoint set 58
Primary workspace 8
Print options 110
PRO/II
components 8
exiting 6
importing keyword files 102
launching 6
main window 7
overview of functionality 1
Problem description 116
Problems
See Exercises
Procedure data 76
PROCESS 1
Process stream
See Stream
Process unit
See Unit operations
Product phases 68
Product streams 43
Pseudocomponent 55
R
Reaction data
defining 73
equilibrium data 75
heat of reaction 75
kinetic data 75
selecting in unit dialog boxes 76
stoichiometry 74
Reactors 66, 74
Rectangle 117
Recycle streams 44
Reference stream 58
Refinery inspection properties 31
Refinery IOG method 96
Results
case study 101
viewing 15, 107
Rigorous VLLE calculations 40
Run batch mode 105
Run capabilities
color cues 104
interactive 103
run batch 105
run-only mode 106
suppress warnings 117
using breakpoints 105
using the Run palette 103
Run palette 8, 11
Run simulation 15, 103
Run-only mode 106
S
Scroll bars 8
Searching for a unit or stream 12
Secondary cutpoint set 58
Sequencing 44
Shapes 117
SI units of measure 20
Simple IOG method 95
SIMSCI add-ons 67
Simulation
copying 6
creating a new 6
default UOM 18
deleting 6
importing a keyword input file 6
opening 6
running 15, 103
steps for building 14
Simulation defaults
assay characterization 116
autosave 116
problem description 116
thermodynamic system 116
units of measure 116
122 Index
Solid components
defining 26
particle size distribution 26
properties 31
property data 26
Solid-liquid equilibrium 40
Solids handling unit operations 66
Solids stream 61
Sour package 37
Specification
absolute 79
column 86
establishing 77
example 78
relative 79
Splitter 71
Stage efficiency
definition 81
equilibrium model 82
Murphree mode 81
typical values 83
vaporization model 82
Status bar 8
Status button 10
Steps for building a simulation 14
Stoichiometry, reaction 74
Stream
default designations 17
display 115
external feed 43
internal feed 43
product 43
recycle 44
search for 12
style 107
supplying process data 15, 45
types 43
Stream manipulation unit ops 65
Stream properties
composition 47
flowrate 47
lists 113
normalize option 47
phase 46
requirements 45
thermal condition 46
Stream property table
creating 108
exporting 112
Stream utilities
BVLE hotkey 63
copying streams 64
flash hotkey 62
Structure data 31
Summation equations 85
Suppress run warnings 117
Sure algorithm 98
T
Table 107
TBP curve 53
Technical support 3
Temperature dependent properties
correlation coefficients 29
entry options 29
Text 117
Thermal condition of streams 46
Thermodynamic methods
application examples 40
categories 35
electrolytes 37
equations of state 36
generalized correlations 36
global default 116
ideal 36
liquid activity 36
polymers 37
selecting 15, 34
selecting the correct 34
solid-liquid equilibrum 40
special packages 37
transport properties 38
using multiple 41
Thermodynamic properties 34
Title bar 8
Toolbar 8, 9
Tools menu 62
Transport properties
calculational methods 38
rigorous VLLE calculations 40
unit operation requirements 38
variables 38
water decant option 39
U
UNIFAC structures 25
Unit operations
categories 65
columns 65
common features of all 67
defining reaction data 73
display 114
entering process data 15, 65
flowsheet manipulation 67
heat exchangers 66
multiple feeds 67
phase change 65
pressure change 65
product phases 68
reactors 66
search for 12
SIMSCI add-ons 67
solids handling 66
stream manipulation 65
thermodynamic options 67
user-added 67
utilities 66
Units of measure
checking 18
global defaults 19
library 19
lists 113
output 19
report options 110
simulation defaults 18, 116
single field 19
standard sets 20
Unknowns 85
User-added unit 67
User-defined components
defining 25
fill from structure option 25
User-defined properties 31
Utilities 66
V
Valve 71
Vaporization model 82
Variables 86
View menu 11
View results option 107
Viewer 117
Viewer options 107
VLLE calculations 40
W
Water decant option 39
Welcome to PROVISION 6, 117
Window menu 12
Workbook conventions 4
Getting Started Workbook i
Contents
Estimating Component Data. . . . . . . . . . . . . . . . . . . . . . . . 1
Chiller Plant
Part 1. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
Part 2. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14
Part 3. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17
Part 4. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21
Part 5. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25
Part 6. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27
Gas Cooling . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31
MEK/Toluene Preheat. . . . . . . . . . . . . . . . . . . . . . . . . . . . 33
Hydrocarbon-Water Phase Separation . . . . . . . . . . . . . . . 35
Naphtha Assay
Part 1. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39
Part 2. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43
Part 3. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45
Phase Envelope . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48
Compressor Curves. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50
Debutanizer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52
Rigorous Heat Exchanger . . . . . . . . . . . . . . . . . . . . . . . . . 55
Two Stage Compressor . . . . . . . . . . . . . . . . . . . . . . . . . . . 60
Propylene Chlorination Reactor . . . . . . . . . . . . . . . . . . . . 63
Appendix A - Keyword (.INP) Files - English UOM. . . . 69
Appendix B - Keyword (.INP) Files - Metric UOM. . . . . 81
Estimating Component Data
# TASK In this exercise, you will use PRO/II and DATAPREP to create a user-
defined component and predict its properties. To demonstrate the accu-
racy of the predictive methods, we will try to reproduce the properties of
acetone:
Retrieve the physical properties of acetone from PRO/II. Compare them
with those that result from estimating the component properties in the
procedures outlined below.
Part A Define acetone as a user-defined library component with a different
name. Given its molecular structure above, use the UNIFAC structure
and the fill option to generate all the component properties of acetone. In
the second run add NBP = 329.44 K and see how the component proper-
ties change.
Part B Supply the Joback structure and use the modified Joback methods within
DATAPREP to estimate all the component properties of acetone (under
a different name) with and without the NBP data.
SOLUTION -
Part A
Use the following steps to enter ACETONE2 as a user-defined compo-
nent.
Step 1 Create a User-Defined Component
Click the Component Selection button to open the Component Selec-
tion dialog box.
Click .
Name your component ACETONE2 and click .
Figure 1 shows the dialog box once you have entered the data.
O
H
3
C CH
3
C
User-defined...
Add ->
2 Estimating Component Data
Figure 1:
Component Selection
User-Defined Dialog
Box
Return to the flowsheet by clicking .
Step 2 Define the Component Properties
Click the Component Properties button.
Click , highlight ACETONE2 as the component
to be filled and click . Click .
Click and add the appropriate data.
ACETONE2 is comprised of two parts:
a Ketone, Group 1300
a Paraffin, Group 0900
Figure 2 shows the completed Define UNIFAC Structure dialog box.
Figure 2:
Define UNIFAC
Structure Dialog Box
OK
Fill from Structure...
Move -> OK
Step 3 Build the Flowsheet
Place a VALVE on the flowsheet and add two streams, one feed
stream and one product stream.
Step 4 Select a Thermodynamic Method
Click on the red-bordered Thermodynamic Data button on the tool-
bar.
Select the Most Commonly Used Category, and then select Soave-
Redlich-Kwong as the Primary Method.
Click to add your selection to the Defined Systems box.
Step 5 Enter Stream Data
Double-click on the feed stream.
Enter the thermal condition.
Enter a flowrate and the composition, which should be 100 mol %
ACETONE2.
Step 6 Run the Simulation and View the Results
Run the simulation by clicking the Run button on the toolbar. Each
unit should turn green and then blue in sequence indicating that it
has solved.
To view your results, click the Generate Report button.
Run the simulation again to see how adding in some known data affects
the predicted properties. Rename the simulation so as not to overwrite
the previous output file.
Step 7 Change the Normal Boiling Point
Click the Component Properties button.
Click and enter 329.44 K as the NBP.
Run the simulation as before.
Table 1 compares some of the predicted properties.
Add ->
Fixed...
4 Estimating Component Data
SOLUTION -
Part B
In this approach, you use DATAPREP to estimate the component prop-
erties. With DATAPREP, you can choose either UNIFAC or Joback
structures.
Launch DATAPREP.
Press <7> for Property Prediction and <1> for Automatic Property
Generation.
Type ACETONE3 and define it as a SCRATCH component so that
it resides in memory and is not added into a database.
Select the type of structure: <1> UNIFAC, <2> Joback.
Move the cursor up and down and enter the number of occurrences
of each function group next to the appropriate identification number.
UNIFAC: one 900 group and one 1300 group
Joback: two -CH3 groups and one >C=O (non-ring) group
When finished, return to the main menu and use the File Utilities and
Process Simulation options to write the data to a PRO/II keyword
input format.
Again, you can enter specific data, such as the NBP, to increase the
accuracy of the prediction. Table 2 compares the properties predicted
with DATAPREP against published data.
Table 1: Comparison of Properties Predicted with PRO/II and Published Data
Property UNIFAC UNIFAC with NBP
Data
Published Data
Molecular Weight 58.080 58.080 58.081
Specific Gravity 0.7099 0.7001 0.79543
Normal Boiling Point (K) 321.91 329.44 329.44
Critical Temperature (K) 500.25 511.95 508.15
Critical Pressure (kPa) 4802.5 4802.5 4701.5
Acentric Factor 0.2825 0.28253 0.32869
Table 2: Comparison of Properties Predicted with DATAPREP and Published Data
Property UNIFAC UNIFAC with NBP
Data
Published Data
Molecular Weight 58.080 58.080 58.081
Specific Gravity 0.75338 0.70175 0.79543
Normal Boiling Point (K) 321.910 329.44 329.44
Critical Temperature (K) 500.248 511.95 508.15
Critical Pressure (kPa) 4802.500 4802.5 4701.5
Acentric Factor 0.282526 0.28253 0.32869
Figure 3 shows the keyword input file lines generated by DATAPREP
for the Joback prediction without NBP data.
Figure 3:
Keyword File for the
Joback Prediction
$ PRO/II physical property insert for:
$ Name: ACETONE3
$ Formula: C3H6O
$
$COMPONENT DATA
NONLIBRARY 2, ACETONE3
$
$ Thermo methods available for use:
$ Data are missing to determine phase
$
PHASE NONE = 2
$ STRUCTURE 2,
MW 2, 0.5808004E+02
SPGR 2, 0.7533822E+00
VC(M3/KG,MOLE) 2, 0.2095000E+00
ZC 2, 0.2419194E+00
ACENTRIC 2, 0.2825258E+00
NBP(K) 2, 0.3219100E+03
TC(K) 2, 0.5002482E+03
PC(PA) 2, 0.4802500E+07
FORMATION(V,J/KG,MOLE) 2, -.2178300E+09, -.1545400E+09
NMP(K) 2, 0.1730000E+03
HFUS(J/KG,MOLE) 2, 0.5123140E+07
RACKETT 2, 0.2657684E+00
SOLP 2, 0.9211874E+01
MOLV(M3/KG,MOLE) 2, 0.7716949E-01
SVTB 2, 0.0000000E+00
SLTB 2, 0.0000000E+00
SLTM 2, 0.0000000E+00
HVTB 2, 0.0000000E+00
HLTB 2, 0.0000000E+00
HLTM 2, 0.0000000E+00
6 Chiller Plant - Part 1
Chiller Plant - Part 1
# TASK Through guided practice, you will build a simulation of the process
shown below. This is part of a chiller plant typical in natural gas process-
ing. In subsequent parts of this example, you will add other sections of
the plant to this simulation. Use the Peng-Robinson thermodynamic
method.
Figure 4:
Schematic of Chiller
Plant - Part 1
The process and equipment data are given in Table 3 and 4.
Compressor
C-1
HX-1
Cooler
D-2
Knockout
Drum
P-1
Pump
D-1
Scrubber
Inlet
Gas
2 4 5
6
7
3 17
Table 3: Feed Stream Data
Component Mole % Component Mole %
Nitrogen 1.0 i-Butane 1.25
Carbon dioxide 1.6 n-Butane 3.0
Methane 72.5 i-Pentane 0.55
Ethane 11.5 n-Pentane 1.10
Propane 6.75 C6PLUS (PETRO Component) 0.75
Total Flowrate 4 X 10
7
standard vap ft
3
/day 1.0X 10
6
normal vap m
3
/day
Temperature 120F 50C
Pressure 205 psig 1520 kPa
C6PLUS Properties NBP 210F 99C
API Gravity 73 Specific Gravity 0.6919
SOLUTION
Step 1 Create a New Simulation
Select New... from the File menu.
Note that several buttons on the toolbar, including the Run button have
red borders. When you have satisfied PRO/II's input requirements all red
borders will disappear.
Step 2 Build the Process Flow Diagram
If the PFD palette is not already visible, click the PFD Palette button on
the toolbar to bring it up. Click on the appropriate unit icons on the PFD
palette to draw the PFD. To select and position a unit, just click on its
icon.
A pointer with a box and flash drum attached appears. Move this to the
main window and click again when the unit is in position.
In this manner, select and position the units as shown in the diagram
using these PFD buttons:
Click on the red-bordered on the PFD palette.
Note that the pointer now has an S attached to it. All available exit ports
appear on each unit once you select . Required exit ports are
red and optional exit ports are green.
Table 4: Equipment Data and Operating Conditions
Unit Description Data
D-1 Scrubber Temperature
Pressure
85F
203 psig
30C
1500 kPa
C-1 Compressor Outlet Pressure
Adiabatic Efficiency
600 psig
72%
4250 kPa
72%
HX-1 Cooler Hotside: Process Stream
Outlet Temperature
Pressure Drop
Coldside: Utility Air
Inlet Temperature
Outlet Temperature

110F
5 psi

80F
100F

45C
35 kPa

27C
38C
D-2 Knockout drum Flash drum with no change of pressure and no duty
P-1 Pump Outlet Pressure
Efficiency
550 psig
65%
3900 kPa
65%
Streams
Streams
Draw the streams on the flowsheet to connect the units.
After your first click, only the available feed ports are shown in red or
green.
Double-click on each stream and unit and change its name to that
shown on the diagram above. Do not change any other data in the
dialog box.
Click to exit the dialog box. Note that spaces are not allowed in
unit or stream names.
The completed PFD should now look like Figure 5 below.
Figure 5:
Chiller Plant PFD in
PRO/II
After you finish building the flowsheet, the labels of all the internal
streams are black and the available ports of all the units are green. At this
point, all the unit labels have red borders and the border of the feed
stream label is also red because you must still add data. Note that the
border of is black, indicating that you have entered all neces-
sary data for this function. To exit the stream connection mode, right-
click, or click on so that it turns gray, indicating that the mode
is no longer active.
Before continuing, save the simulation as CHILL1.PRZ.
Step 3 Modify the Input Units of Measure
Click on the green-bordered Units of Measure (UOM) button on the
toolbar to verify the units of measure used in this simulation.
,
Note: Although not critical in this example, it is good practice to con-
nect the FLASH DRUM hydrocarbon liquid product to the side
port and to reserve the bottom port for a decanted water or sec-
ond liquid product.
OK
Streams
Streams
For this example you will use either modified SI units or modified
English units. Click and select ENGLISH-
SET1 or SI-SET1 from the drop-down list.
Check each item that it matches the input data given in the tables
above.
Make any necessary changes and click .
Notice that the border of the UOM button is now blue indicating that you
have modified the data.
Step 4 Define the Components
Click on the red-bordered Component Selection button on the tool-
bar.
Click .
Select the Hydrocarbon Lightends Component Family and select
components from the list displayed. Select a single component or a
group of components (using the shift or control keys) and then click
to add them to the component list below.
Add the components in the order presented in Table 3.
Figure 6:
Component Selection
When finished click to return to the Component Selection dia-
log box.
Click to enter data for the petroleum component
C6PLUS.
Enter its name, NBP and gravity data, and click .
Note that and List of Selected Components box now have
blue borders.
Initialize from Library....
OK
Select from Lists...
Add Components
OK
Petroleum...
OK
Petroleum...
Click to exit the dialog box.
Step 5 Select the Thermodynamic Method
Click on the red-bordered Thermodynamic Data button on the tool-
bar.
Select the Most Commonly Used Category, and then select Peng-
Robinson as the Primary Method.
Double-click on Peng-Robinson, or click to add your
method selection to the Defined Systems box.
To specify the transport property methods, click and then
.
Check the Compute Transport Properties box and select Petroleum
Correlations from the Transport System drop-down list, as shown in
Figure 7.
Figure 7:
Transport Properties
Click in each of the three dialog boxes to save the entered data.
Step 6 Define the External Feed Stream
Double-click on the feed stream INLET_GAS. Make sure that the
stream type is Composition Defined.
Enter the stream's thermal condition:
Select Temperature as the first specification and enter value.
Select Pressure as the second specification and enter value.
Click .
Select Total Fluid Flowrate and enter value.
You will need to locally override the flowrate dimensional units. To do
so, with the cursor in the fluid flowrate field, click at the top of
OK
Add ->
Modify...
Transport Properties...
OK
Flowrate and Composition...
UOM
the dialog box and change the basis to vapor volume and the units to ft
3
or m
3
and day. Click to return to the dialog box.
Enter the individual component mole percentages into the compo-
nent grid. You can move down the list using the <Tab> key. After
entering the composition data, check that the total equals 100.
Click to exit each dialog box and return to the PFD.
You do not need to enter data for any streams other than the INLET_GAS
(the external feed stream to the process) because PRO/II calculates the
others for you, based on your process conditions.
Step 7 Enter Operating Conditions for Each Unit Operation
Double-click on each unit in turn and enter the required data includ-
ing the unit identifier.
Enter data for flash drum D-1. The First Specification is Pressure
and the Second Specification is Temperature.
Enter data for flash drum D-2. The First Specification is Pressure
Drop and the Second Specification is Duty. The duty of an adiabatic
flash is zero.
Enter data for heat exchanger HX-1.
Click to set the heat exchanger specification.
Select Hot Product Temperature from the list and enter value.
Change Units
OK
,
Note: As you return to the PFD after each unit operation, its unit
identifier has changed from red (data missing) to black (data
satisfied).
,
Note: By default, the horizontal stream is the hot side and the vertical
stream is the cold side. Here this means that the utility stream
is the cold side. You could use this dialog box to change the
stream allocations if the reverse were true.
Specification...
Figure 8:
Heat Exchanger
Specifications
Return to the Heat Exchanger dialog box by clicking .
Click the cold side and enter the appropriate data.
Figure 9:
Cold Side Utility
Stream

Close the Heat Exchanger dialog boxes and return to the PFD.
Enter pressure and efficiency data for Pump P-1 and Compressor C-
1.
When you have entered all the data, there should not be any red on the
flowsheet. All stream and unit labels should have black borders. If any
of the unit or stream labels has a red border, click on it and check the
data. Save the simulation before continuing.
Run the simulation by clicking the Run button on the toolbar. Each
unit should turn green and then blue in sequence indicating that it
has solved.
To view your results, highlight PUMP P-1 and click the View Results
button.
OK
Utility Stream...
Step 9 Save and Close the Simulation
You will use this simulation as a basis for a later example.
Select Save on the File menu and save as CHILL1.PRZ.
Select Close on the File menu.
Figure 10:
Pump P-1 Results
English UOM
Pump 'P-1'

Feeds 3
Products 17

User Input Calculated
---------- ----------
Temperature, F 88.15
Pressure, PSIG 550.00 550.00
Pressure Rise, PSI 347.00

Work, HP 2.44
Head, FT 1293.94
Efficiency 65.00 65.00
Metric UOM
Pump 'P-1'

Feeds 3
Products 17

---------- ----------
Temperature, C 31.75
Pressure, KPA 3900.00 3900.00
Pressure Rise, KPA 2400.00

Work, KW 1.62
Head, M 395.50
Efficiency 65.00 65.00
# TASK Continue to build the chiller plant. Since you already entered the units of
measure, components, and feed stream data in Part 1 you won't need to
add these data again. Figure 11 shows the process schematic for this
part. The portion of the flowsheet that you entered in Part 1 is gray, and
the new units and streams you will now add are black.
Figure 11:
Schematic of
Chiller Plant -
Part 2
The new equipment data and operating conditions are provided below.
SOLUTION Use the previous example, CHILL1.PRZ as the basis for this example.
Select File/Save As... from the menu bar and save the example as
CHILL2.PRZ.
Step 1 Add to the Process Flow Diagram
Using Figure 11 as a guide, add units HX-2, HX-3, D-3, and V-1 to
the flowsheet.
Connect the vapor product stream from D-2 to HX-2.
Compressor
C-1
HX-1
Cooler
D-2
Knockout
Drum
P-1
Pump
D-1
Scrubber
Inlet
Gas
HX-2
Gas/Gas
Exchanger
HX-3
Propane
Chiller
D-3
Cold
Separator
V-1
Valve
2 4 5
6
7
4 17
12
8 9
10
11
13
Table 5: Equipment Data
HX-2 Gas to Gas
Exchanger
Hotside P
Coldside Pi
Approach Temp (Hot In - Cold Out)
5 psi
5 psi
10F
35 kPa
35 kPa
5C
HX-3 Chiller Hotside Outlet Temp
Hotside P
Coldside refrigerant saturated liquid
propane at
-13F
5 psi

-22F
-25C
35 kPa

-30C
D-3 Cold Separator Adiabatic Separation
V-1 Valve Outlet Pressure 245 psig 1800 kPa
Add the remaining streams to the flowsheet. Enter the unit and
stream names. The PFD now looks like Figure 12.
Figure 12:
Chiller Plant in PRO/II
Step 2 Enter Operating Conditions for Each New Unit Operation
Enter data for the new units.
In the Heat Exchanger dialog box for HEAT EXCHANGER HX-3 (Chiller),
click and choose Refrigerant as the Utility Type.
Select Propane from the Component list and enter the saturation temper-
ature.
At this point there should not be any red borders on the flowsheet. All
stream and unit labels should have black borders. If any of the unit or
stream labels has a red border, double-click on it and check the data.
Run the simulation.
Highlight the cold separator overhead stream 10, click the View
Results button and look at the thermal recycle rate. As you can see,
the stream is all vapor.
Generate an output report by clicking the Generate Report button or
by choosing Generate Report from the Output menu.
Look at the HEAT EXCHANGER summary for HX-3. Find the flowrate of
the refrigerant. You will use this rate as an initial estimate in the Part 3 of
this exercise.
Please save this simulation as CHILL2.PRZ and you will use this simula-
tion in the Part 3 of this exercise.
Utility Stream...
,
Note: PRO/II's refrigerant utility, used in unit HX-3, considers only
latent heat effects, so the refrigerant inlet and outlet conditions
are a saturated liquid and a saturated vapor, respectively.
Figure 13:
Heat Exchanger HX-3
Results
English UOM
OPERATING CONDITIONS

DUTY, MM BTU/HR 6.534
LMTD, F 31.835
F FACTOR (FT) 1.000
MTD, F 31.835
U*A, BTU/HR-F 205245.904

HOT SIDE CONDITIONS INLET OUTLET
----------- -----------
FEED 8
MIXED PRODUCT 9
VAPOR, LB-MOL/HR 4102.011 3460.975
M LB/HR 88.249 66.131
CP, BTU/LB-F 0.580 0.631
LIQUID, LB-MOL/HR 250.147 891.183
M LB/HR 11.943 34.061
CP, BTU/LB-F 0.602 0.600
TOTAL, LB-MOL/HR 4352.158 4352.158
M LB/HR 100.192 100.192
CONDENSATION, LB-MOL/HR 641.035
TEMPERATURE, F 55.574 -13.000
PRESSURE, PSIG 590.000 585.000

COLD SIDE CONDITIONS INLET OUTLET
----------- -----------
REFRIGERANT, LB/HR 36843.185 36843.185
SATURATION PRESSURE, PSIG 9.620
SATURATION TEMPERATURE, F -22.000
Metric UOM

DUTY, M*KJ/HR 6.546
LMTD, C 17.864
F FACTOR (FT) 1.000
MTD, C 17.864
U*A, KW/K 101.787

HOT SIDE CONDITIONS INLET OUTLET
----------- -----------
FEED 8
MIXED PRODUCT 9
VAPOR, KG-MOL/HR 1737.399 1462.350
K*KG/HR 37.413 27.927
CP, KJ/KG-C 2.428 2.646
LIQUID, KG-MOL/HR 107.456 382.506
K*KG/HR 5.166 14.652
CP, KJ/KG-C 2.515 2.510
TOTAL, KG-MOL/HR 1844.856 1844.856
K*KG/HR 42.579 42.579
CONDENSATION, KG-MOL/HR 275.049
TEMPERATURE, C 13.748 -25.000
PRESSURE, KPA 4180.000 4145.000

COLD SIDE CONDITIONS INLET OUTLET
----------- -----------
REFRIGERANT, KG/HR 15868.730 15868.730
SATURATION PRESSURE, KPA 167.655
SATURATION TEMPERATURE, C -30.000
,
Note: The utility calculations for the heat exchanger are performed
during output generation and cannot be viewed by clicking the
View Results button.
# TASK Continue to build the chiller plant. Suppose that the refrigerant for the
chiller HX-3 consists of a mixture rather than pure propane. You want to
determine the flowrate of that mixture required to maintain a process
stream (hotside) outlet temperature of -15F (-26C). Instead of using the
HEAT EXCHANGER refrigerant utility in PRO/II, which is designed for use
with single components, you now must introduce a refrigerant stream,
with the correct composition, and use a CONTROLLER to determine the
refrigerant flowrate.
The diagram shows part of the process schematic. The portion of the
flowsheet that you entered previously is gray, and the new units and
streams you will now add are black.
Figure 14:
Plant - Part 3
The equipment and refrigerant stream data are shown in Table 6.
SOLUTION Use the previous example, CHILL2.PRZ, as the basis for this example and
save the example as CHILL3.PRZ.
Step 1 Change the Flowsheet Configuration
Add a controller unit to the flowsheet.
Compressor
C-1
HX-1
Cooler
D-2
Knockout
Drum
P-1
Pump
D-1
Scrubber
Inlet
Gas
HX-2
Gas/Gas
Exchanger
HX-3
Propane
Chiller
D-3
Cold
Separator
V-1
Valve
2 4 5
6
7
3 17
12
9
10
11
13
51
50
CN1
8
Table 6: Refrigerant Stream Data
Component Mole%
Ethane 2.5
Propane 97
i-Butane 0.5
Pressure 11.5 psig 180 kPa
Condition Bubble Point
Remove the utility stream on HEAT EXCHANGER HX-3 by double-
clicking on the unit and deactivating the check box for the utility
stream.
Add inlet and outlet streams to the cold side of HX-3. Name the inlet
stream 50 and the outlet stream 51.
Figure 15:
Chiller Plant PFD in
PRO/II
Step 2 Enter Stream Data
Enter the composition data and define the thermal conditions for
stream 50.
Even though the flowrate of this stream is going to be calculated by the
controller, you must enter a flowrate here. This not only satisfies the data
requirements of the dialog box but also serves as an initial estimate.
Use the propane refrigerant rate from the previous example as the
initial flowrate for this stream.
Step 3 Enter Unit Data
Change the specification for HEAT EXCHANGER HX-3 so that the
new refrigerant stream exits at its dew point. Select the Cold Product
Liquid Fraction specification and set the value to 0.00.
Double-click on the CONTROLLER. The Feedback Controller dialog
box appears.
You want to vary stream 50 flowrate so that the temperature of stream 9
is -15F (-26C).
In the Specification group:
Click on Parameter.
Choose the hotside outlet stream for HEAT EXCHANGER HX-3
(stream 9) as the stream to specify.
Click on Parameter in the Parameter dialog box.
Select Temperature and return to the Feedback Controller dialog
box.
Enter -15F (-26C) as the value of the hotside outlet temperature.
In the Variable group box:
Click on Parameter.
Choose stream 50 as the stream to vary. Click on Parameter and
choose Flowrate as the variable.
When complete, the Feedback Controller dialog box looks like Figure
16.
Figure 16:
Completed Feedback
Controller Dialog Box
Click to save the entries and return to the flowsheet.
Save the simulation before continuing.
Run the simulation.
Create a STREAM PROPERTY TABLE for stream 50 with the Stream
Summary list selected.
A portion of this table is shown below. Compare the quantity of refriger-
ant required to that obtained in the previous example. Why are the
results different?
OK
Figure 17:
Refrigerant Stream
Results
English UOM Metric UOM
# TASK Continue to build the chiller plant. Add a COLUMN and a COMPRESSOR.
Use MIXER units to combine the plant liquid streams into one product
and the plant vapor streams into another product.
Figure 18:
Plant -
Part 4
save the example as CHILL4.PRZ.
Step 1 Add to the Process Flow Diagram
Place a COMPRESSOR, two MIXERs and a COLUMN on the PFD. Con-
nect the streams as shown in Figure 18. Name the units and streams.
Compressor
C-1
HX-1
Cooler
D-2
Knockout
Drum
D-1
Scrubber
Inlet
Gas
HX-2
Gas/Gas
Exchanger
HX-3
Propane
Chiller
D-3
Cold
Separator
V-1
Valve
P-1
Pump
Pipeline
Gas
C-2
Compressor
T-1
Stabilizer
M-2
Mixer
M-1
Mixer
Natural Gas
Liquids (NGL)
1
2
3
4 5
6
7
8 9
10
11
12
13
14
15
16
17
18
19
Table 7: Equipment Data
Stabilizer Column T-1
Actual Number of Trays 22
Overall Tray Efficiency 55%
Feed Location Tray 1
Top Tray Pressure 200 psig 1480 kPa
Column P 2.5 psi 17 kPa
Bottom Product TVP 235 psig 1720 kPa
Compressor C-2
Outlet Pressure 600 psig 4240 kPa
Adiabatic Efficiency 73%
When you place the column, you will be asked to give the number of
theoretical trays and to state whether the column has a condenser and a
reboiler. Note that the Table 7 gives actual trays and tray efficiency.
From this you must calculate the number of theoretical trays in the body
of the column (22*55% = 12 stages). The kettle reboiler is simulated as a
theoretical stage and thus is stage 13. This column has no condenser.
When complete, the PFD should look similar to Figure 19.
Figure 19:
Complete Chiller Plant
in PRO/II
Step 2 Enter the Unit Data
The mixers require no data. Enter the COMPRESSOR data from the table.
Double-click on the COLUMN. Check that the Number of Trays is
correct and that the default selections for Algorithm and Calculated
Phases are appropriate to your simulation.
Click and enter the Top Tray Pressure and the
Pressure Drop for the entire Column.
Click to set the feed tray number. Check that
the default entry for the Phase of each Product is correct.
Estimate the rate of the overhead product. You can make a good guess
from the results of the previous run. You could also use the Define pro-
cedure, assuming that the overhead stream consists of all the Nitrogen
through Methane from the column feed (Figure 20).
Figure 20:
Overhead Flowrate
Definition
Pressure Profile...
Feeds and Products...
Click to check that Kettle (Conventional) has been
selected.
Click to select the Conventional initial estimate
method.
Click to enter the true vapor pressure
specification. Check the Add Specifications and Variables box. In
the Specifications grid, click on Parameter, choose the bottoms
stream, 15, and select Vapor Pressure and True from the lists.
Return to the Specifications and Variables dialog box and enter a
value of 235 psig (1720 kPa).
In the Variables grid, click on Parameter, choose Column and select
Heat Duty of the Reboiler from the lists. The completed dialog box
is shown in Figure 21.
Figure 21:
Bottoms True Vapor
Pressure
Specification
Click to return to the PFD.
Run the simulation.
Highlight the COLUMN and click the View Results button. Find the
reboiler duty required to meet the liquid product specification.
Select Output/Generate Plot... from the menu bar to plot an over-
view of the temperature and flowrates, as shown in Figure 22 below.
Reboiler...
Initial Estimates...
Performance Specifications...
OK
Figure 22:
Column
T-1 Profiles
# TASK Suppose that a nearby refinery has been shut down and some columns
are available at bargain prices. Your company is exploring a joint ven-
ture with the Royal Gas Company to build a fractionation plant as shown
in Figure 23 to process the liquids from your chiller plant and their plant.
Figure 23:
Light Ends
Fractionation Plant
You have been asked to provide a quick design for such a plant. To save
time, you want to perform a shortcut analysis. SHORTCUT COLUMNs are
unsupported in PROVISION. However, using keyword input files you
can run the problem in either Run Batch or Run-Only mode. Use the
keyword input file, CHILL5.INP, found in the TRAINING directory, to
determine the number of theoretical trays, feed locations, and approxi-
mate reflux ratios for the three distillation columns.
SOLUTION
Step 1 Import the Keyword Input File
Select Import... from the File menu. Import the keyword input file
CHILL5.INP from the TRAINING directory.
A message will appear indicating that unsupported features were found
in your keyword file. You can examine a list of these features by click-
ing .
Close the Flowsheet Status dialog box to continue.
T-2S
Deethanizer
T-3S
Depropanizer
T-4S
Debutanizer
V-2
60
Royal
Liquids
19 20
22
23
21
24
25
26
V-3 V-4
C2
C3
27
28
Gasoline
C4s
Yes
You will have been automatically placed into Run-Only mode. Run the
simulation and create an output file.
Read the results from the output (Figure 24). For example, for the deeth-
anizer column, the recommended number of theoretical trays is 24,
which is twice the calculated Fenske minimum trays. For a 24 tray col-
umn, the feed should be introduced at tray 13.
Figure 24:
Shortcut Column
Summaries
UNIT 2, 'T-2S', 'DEETHANIZER'
SUMMARY OF UNDERWOOD CALCULATIONS
MINIMUM REFLUX RATIO 2.08175
FEED CONDITION Q 1.40594
FENSKE MINIMUM TRAYS 12.14568

THEORETICAL TRAYS 2.00 * M-MINIMUM
TOTAL FEED R/R-MIN M/M-MIN REFLUX DUTY, MM BTU/HR
TRAYS TRAY RATIO CONDENSER REBOILER
----- ---- ------- ------- ------ ---------- ----------
18 9 1.975 1.500 4.111 -4.024E+00 1.022E+01
21 11 1.467 1.750 3.053 -2.989E+00 9.182E+00
24 13 1.284 2.000 2.673 -2.616E+00 8.810E+00
27 14 1.163 2.250 2.420 -2.369E+00 8.563E+00
30 16 1.077 2.500 2.243 -2.196E+00 8.389E+00
UNIT 4, 'T-3S', 'DEPROPANIZER'

----- ---- ------- ------- ------ ---------- ----------
17 8 1.950 1.500 4.487 -1.238E+01 1.084E+01
20 10 1.454 1.750 3.347 -9.810E+00 8.265E+00
23 11 1.277 2.000 2.939 -8.888E+00 7.343E+00
26 13 1.159 2.250 2.668 -8.277E+00 6.732E+00
29 14 1.075 2.500 2.475 -7.842E+00 6.297E+00
UNIT 6, 'T-4S', 'DEBUTANIZER'

----- ---- ------- ------- ------ ---------- ----------
19 10 2.185 1.500 2.688 -1.116E+01 9.679E+00
23 12 1.568 1.750 1.928 -8.861E+00 7.381E+00
26 14 1.344 2.000 1.653 -8.030E+00 6.550E+00
29 16 1.196 2.250 1.471 -7.479E+00 5.999E+00
32 17 1.094 2.500 1.346 -7.099E+00 5.618E+00
# TASK Use the shortcut results from Part 5 to set up a rigorous simulation of the
light ends fractionation plant shown in Figure 25. Begin with the flow-
sheet built in Part 4, or create a new flowsheet and provide the feed data
given below. Size each column for valve trays through the Tray Hydrau-
lics dialog box. Use the I/O distillation algorithm for the calculations and
choose Conventional as the initial estimate method. Vary the column
duties to meet the specifications given in Table 10.
Figure 25:
Light Ends
Fractionation Plant
T-2S
Deethanizer
T-3S
Depropanizer
T-4S
Debutanizer
V-2
60
Royal
Liquids
19 20
22
23
21
24
25
26
V-3 V-4
C2
C3
27
28
Gasoline
C4s
Component Royal Gas Liquids
Stream 60 (kg-mol/hr)
Royal Gas Liquids
Stream 60 (lb-mol/hr)
Nitrogen 0.0454 0.1
Carbon dioxide 0.8165 1.8
Methane 1.8144 4.0
Ethane 56.699 125.0
Propane 99.7902 220.0
i-Butane 35.3802 78.0
n-Butane 68.0388 150.0
i-Pentane 4.5359 10.0
n-Pentane 21.7724 48.0
C6PLUS (petro. comp.)
NBP =
Density =
13.6078
98.9 C
0.6919 sp gravity
30.0
210 F
73 API
Temperature 37.8 C 100 F
Pressure 4238 KPa 550 psig
save the example as CHILL6.PRZ. Build the flowsheet continually and
run the simulation.
Compare the duties and overhead product rates determined in this exer-
cise with those from the shortcut calculation done in Part 5. The over-
head rate estimates from the shortcut calculation were quite good, but
the duty estimates were more approximate.
Table 9: Column Data
T-2 T-3 T-4
Condenser Data
Type Partial Subcooled Subcooled
Pressure (psig) 410 240 100
Temperature (F) --- 110 110
Pressure Data
Top Tray Pressure (psig) 415 245 105
Column P (psi) 5 5 5
Estimates from Shortcut Results
Theoretical Stages 24 23 26
Feed Location 13 11 14
Reflux ratio 2.673 2.940 1.653
Overhead product rate (lb-mol/hr) 271.7 414.1 390.7
Table 10: Column Specifications
Deethanizer T-2:
C3 in overhead product 2 mol %
C2/C3 mole ratio in bottom product 0.025
Depropanizer T-3:
C4s in overhead product 2 mol %
C3 in bottom product 2 mol %
Debutanizer T-4:
IC5 in overhead product 0.25 vol %
NC4 in bottom product 1 vol %
Table 11: Valve Operating Conditions
Unit Outlet Pressure (psig)
Valve V-2 425
Valve V-3 260
Valve V-4 130
Plot the liquid and vapor fractions of ethane and propane in column T-2
on a single plot. For column T-3, plot the separation factor of the light
and heavy components. For column T-4, plot the overview of the tem-
perature and flowrates.
Figure 26:
Mole Fractions of
Ethane and Propane
in Column T-2
Figure 27:
Separation Factor in
Column T-3
Figure 28:
Overall Temperature
and Flowrate Profiles
in Column T-4
Gas Cooling
# TASK Solve the flowsheet, shown in Figure 29, for all process conditions and
flowrates. Solve it first with a recycle loop and then break the loop using
a reference stream (Figure 30). Compare the calculation histories in both
runs. Determine the number of iterations it takes to run with the recycle
in place and how many it takes to run with the broken recycle.
Figure 29:
Gas Cooling
Flowsheet with
Recycle
Figure 30:
Gas Cooling
Flowsheet with
Broken Recycle
Component Mole Percent
Carbon Dioxide 1.39
Methane 85.92
Ethane 7.73
Propane 2.45
i-Butane 0.36
n-Butane 0.56
i-Pentane 0.21
n-Pentane 0.26
n-Hexane 1.12
Pressure 3600 psia 24820 kPa
Flowrate 1000 lb-mol/hr 455 kg-mol/hr
32 Gas Cooling
SOLUTION The original flowsheet requires three iterations to converge and the bro-
ken-recycle version converges without iterating. Figure 31 contains a
portion of the output for the broken-recycle flowsheet.
Heat Exchangers: P for all streams
T2 - T8
E2 outlet temp
5 psi
15F
-20F
35 kPa
8C
-29C
Valves: P across V1
P across V2
1600 psi
900 psi
11030 kPa
6205 kPa
Flash Drum: Adiabatic
Reference Stream: Temperature
Pressure
-20F
1090 psi
-29C
7515 kPa
Figure 31:
Stream Molar
Component Rates
English UOM

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

FLUID RATES, LB-MOL/HR
1 CO2 13.9000 13.9000 12.3398 1.5602
2 METHANE 859.2000 859.2000 812.3919 46.8081
3 ETHANE 77.3000 77.3000 63.1335 14.1665
4 PROPANE 24.5000 24.5000 15.8709 8.6291
5 IBUTANE 3.6000 3.6000 1.7665 1.8335
6 BUTANE 5.6000 5.6000 2.3734 3.2266
7 IPENTANE 2.1000 2.1000 0.5862 1.5138
8 PENTANE 2.6000 2.6000 0.6487 1.9513
9 HEXANE 11.2000 11.2000 1.3286 9.8714

TOTAL RATE, LB-MOL/HR 1000.0000 1000.0000 910.4396 89.5604

TEMPERATURE, F -20.0000 -20.0000 -20.0000 -20.0000
PRESSURE, PSIA 1090.0000 1090.0000 1090.0000 1090.0000
ENTHALPY, MM BTU/HR -0.0177 -0.0177 0.0913 -0.1090
MOLE FRAC VAPOR 0.9104 0.9104 1.0000 0.0000
MOLE FRAC LIQUID 0.0896 0.0896 0.0000 1.0000
Metric UOM
STREAM ID 5 5X 6 7
NAME
PHASE MIXED MIXED VAPOR LIQUID

FLUID RATES, KG-MOL/HR
1 CO2 6.3245 6.3245 5.6107 0.7138
2 METHANE 390.9360 390.9360 369.5078 21.4282
3 ETHANE 35.1715 35.1715 28.6959 6.4756
4 PROPANE 11.1475 11.1475 7.2080 3.9395
5 IBUTANE 1.6380 1.6380 0.8018 0.8362
6 BUTANE 2.5480 2.5480 1.0770 1.4710
7 IPENTANE 0.9555 0.9555 0.2659 0.6896
8 PENTANE 1.1830 1.1830 0.2942 0.8888
9 HEXANE 5.0960 5.0960 0.6025 4.4935

TOTAL RATE, KG-MOL/HR 455.0000 455.0000 414.0639 40.9362

TEMPERATURE, C -29.0000 -29.0000 -29.0000 -29.0000
PRESSURE, KPA 515.0000 7515.0000 7515.0000 7515.0000
ENTHALPY, M*KCAL/HR -5.5392E-03 5.5392E-03 0.0222 -0.0278
MOLE FRAC VAPOR 0.9100 0.9100 1.0000 0.0000
MOLE FRAC LIQUID 0.0900 0.0900 0.0000 1.0000
MEK/Toluene Preheat
# TASK The process shown in Figure 32 preheats a stream that is fed to a distilla-
tion column. The flash drum vaporizes 40 mole percent of the feed, and
the heat exchanger further heats the flash drum liquid. Both the flash
drum and heat exchanger have 1 psi (6.9 kPa) pressure drops. A total of
1.0 MM Btu/hr (1.05 MM kJ/hr) is available to the process.
Find the liquid fraction and temperature of the PROD stream and the two
duties.
Table 13 shows the feed composition and condition. Use the NRTL ther-
modynamic system, but replace its default vapor enthalpy and vapor
density methods with SRKM.
Figure 32:
Preheat Process
FD
Feed
Prod
Vapor
HX
Table 13: Feed Stream
Component Mole %
Toluene 80
Methyl-Ethyl Ketone (MEK) 19
Water 1
Flowrate 100 lb-mol/hr 45 kg-mol/hr
Hint: Use one stream Specification and one Define.
34 MEK/Toluene Preheat
SOLUTION To vaporize 40% of the flash drum feed, use the following stream speci-
fication:
The duty available to the heat exchanger is 1 MM Btu/hr (1.05 MM kJ/
hr) minus however much duty the flash drum requires to vaporize 40%
of its feed. Since the flash duty is unknown before the run, you cannot
assign a value to the heat exchanger's duty. Instead, you should have
PRO/II calculate the FLASH duty, and use the define feature to pass the
calculated flash duty to the heat exchanger. The Define statement for the
HEAT EXCHANGER will has the form:
Table 14 summarizes the results.
Table 14: Results of MEK/Toluene Preheat
English Units Metric Units
Flash Duty 0.7353 MM Btu/hr 0.7680 M kJ/hr
Heat Exchanger Duty 0.2650 MM Btu/hr 0.2970 M kJ/hr
PROD Temperature 233.96F 112.35C
PROD Liquid Fraction 0.6844 0.6619
Hydrocarbon-Water Phase Separation
# TASK This exercise illustrates the differences between a rigorous VLLE flash
and a VLE flash with the water decant option. Simulate a three phase
separator as an isothermal flash at 300F and 300 psia for the crude
stream given in the tables below. Use VLLE SRK Kabadi-Danner
(SRKKD) thermodynamics and VLE SRK thermodynamics with the
water decant option, along with the three different water solubility corre-
lations. Print the K-values for one of the VLE flash units and for the
VLLE flash.
This exercise allows you to answer the following questions:
Is the assumption of a pure water phase valid for this simulation?
How do the results vary with respect to the water solubility correla-
tions?

Pure Components Rate
(lb moles/hr)
Petroleum
Components
Rate
(lb moles/hr)
Water 3000 Cut 11 165
Carbon Dioxide 35 Cut 12 303
Nitrogen 30 Cut 13 560
Methane 890 Cut 14 930
Ethane 300 Cut 15 300
Propane 520
i-Butane 105
n-Butane 283
i-Pentane 100
n-Pentane 133
Temperature 150F
Pressure 1000 psia
Table 16: Petroleum Fraction Properties
Fraction Molecular Wt. API Gravity NBP(F)
Cut 11 91 64 180
Cut 12 100 61 210
Cut 13 120 55 280
Cut 14 150 48 370
Cut 15 200 40 495
36 Hydrocarbon-Water Phase Separation
SOLUTION Defining four thermodynamic sets allows PRO/II to flash the feed iso-
thermally four times within one simulation run.
Figure 33 shows the Flash Drum Summary, which only reports the water
decant flashes. There are three FLASH DRUMs, one for each of the solubil-
ity correlations: SIMSCI, KEROSENE, and EOS. PRO/II reports the total
liquid mole fraction and breaks down the liquid phases into the liquid
hydrocarbon phase and the free water phase. Note that PRO/II provides
this type of report only when you invoke the water decant option for a
hydrocarbon-water system. You can observe that the three solubility
methods produce very similar results for this problem.
The K-value printout for the first FLASH unit (DCNT-SIMSCI) follows the
standard Flash Drum Summary. This report gives the vapor and liquid
mole fractions and the K-value for each component, providing you with
information about the relative volatilities of the components of the prod-
ucts. If you choose to lump the vapor and liquid phases into one product,
you can obtain the relative compositions of the different phases in the
product.
Figure 33:
Flash Drum Summary
with K-Value Report
FLASH ID DCNT-SIMSCI DECANT-KERO DECANT-EOS
NAME
FEEDS CRUDE CRUDE_R2 CRUDE_R1
PRODUCTS VAPOR 1V 2V 3V
LIQUID 1L 2L 3L
WATER 1W 2W 3W

TEMPERATURE, F 300.000 300.000 300.000
PRESSURE, PSIA 300.000 300.000 300.000
PRESSURE DROP, PSI 700.000 700.000 700.000
MOLE FRAC VAPOR 0.33552 0.33467 0.34579
MOLE FRAC TOTAL LIQUID 0.66448 0.66533 0.65421
MOLE FRAC H/C LIQUID 0.35887 0.36147 0.35919
MOLE FRAC FREE WATER 0.30561 0.30386 0.29502
DUTY, MM BTU/HR 59.02614 58.96749 60.00998
FLASH TYPE ISOTHERMAL ISOTHERMAL ISOTHERMAL
VAPOR-LIQUID COMPOSITIONS AND K-VALUES FOR UNIT 1, 'DCNT-SIMSCI'

COMPONENT VAPOR LIQUID K-VALUE
------------------- ---------- ---------- ----------
1 WATER 0.22197 0.03308 6.7112E+00
2 CO2 0.01219 0.00135 9.0594E+00
3 N2 0.01127 3.8836E-04 2.9011E+01
4 C1 0.32055 0.02432 1.3183E+01
5 C2 0.09736 0.01819 5.3508E+00
6 C3 0.14613 0.05268 2.7737E+00
7 IC4 0.02518 0.01468 1.7148E+00
8 NC4 0.06314 0.04399 1.4352E+00
9 IC5 0.01754 0.02001 8.7627E-01
10 NC5 0.02171 0.02812 7.7196E-01
11 CUT11 0.01434 0.04666 3.0732E-01
12 CUT12 0.02020 0.09143 2.2090E-01
13 CUT13 0.01813 0.18693 9.6967E-02
14 CUT14 0.00981 0.32940 2.9796E-02
15 CUT15 4.8360E-04 0.10877 4.4463E-03
Figure 34 shows the three-phase Flash Drum Summary from the output
report. Note that this summary only reports the rigorous VLLE FLASH
units. If you invoke the VLLE option for a FLASH, but only one liquid
phase exists, then PRO/II provides the results in the standard Flash
Drum Summary. The results for the rigorous three-phase FLASH are very
similar to those in Figure 33. The vapor and liquid mole fractions for
each component in the three product phases are at the end of the standard
three-phase Flash Drum Summary. PRO/II uses these results to calculate
the two sets of K-values. You can obtain a set of LLE K-values by divid-
ing the second set of VLE K-values by the first.
Figure 34:
Three-Phase Flash
Drum Summary with
K-Value Report
FLASH ID RIG-SRKKD
NAME

FEEDS CRUDE_R3

PRODUCTS VAPOR 4V
LIQUID 1 4L
LIQUID 2 4W

TEMPERATURE, F 300.000
PRESSURE, PSIA 300.000
PRESSURE DROP, PSI 700.000
MOLE FRAC VAPOR 0.34778
MOLE FRAC TOTAL LIQUID 0.65222
MOLE FRAC LIQUID 1 0.36325
MOLE FRAC LIQUID 2 0.28897
DUTY, MM BTU/HR 61.47417
FLASH TYPE ISOTHERMAL

VAPOR-LIQUID COMPOSITIONS AND K-VALUES FOR UNIT 4, 'RIG-SRKKD'

---------- COMPOSITIONS ----------
COMPONENT VAPOR LIQUID 1 LIQUID 2
------------------- ---------- ---------- ----------
1 WATER 0.23782 0.05616 0.99963
2 CO2 0.01174 0.00131 5.3824E-05
3 N2 0.01087 3.8351E-04 3.2828E-06
4 C1 0.30942 0.02371 1.8329E-04
5 C2 0.09437 0.01751 3.9243E-05
6 C3 0.14269 0.05037 5.0834E-05
7 IC4 0.02481 0.01401 3.3863E-06
8 NC4 0.06243 0.04199 1.8011E-05
9 IC5 0.01757 0.01914 2.1698E-06
10 NC5 0.02183 0.02693 3.2412E-06
11 CUT11 0.01477 0.04520 5.6747E-06
12 CUT12 0.02102 0.08885 5.4152E-06
13 CUT13 0.01933 0.18291 1.4512E-06
14 CUT14 0.01079 0.32417 9.1229E-08
15 CUT15 5.5476E-04 0.10737 5.4406E-11
------ K-VALUES ------
COMPONENT VAP/LIQ 1 VAP/LIQ 2
------------------- ---------- ----------
1 WATER 4.2353E+00 2.3793E-01
2 CO2 8.9758E+00 2.1803E+02
3 N2 2.8327E+01 3.3092E+03
4 C1 1.3048E+01 1.6877E+03
5 C2 5.3874E+00 2.4042E+03
6 C3 2.8323E+00 2.8063E+03
7 IC4 1.7703E+00 7.3241E+03
8 NC4 1.4865E+00 3.4657E+03
9 IC5 9.1766E-01 8.0958E+03
10 NC5 8.1044E-01 6.7340E+03
11 CUT11 3.2684E-01 2.6030E+03
12 CUT12 2.3656E-01 3.8813E+03
13 CUT13 1.0566E-01 1.3317E+04
14 CUT14 3.3278E-02 1.1825E+05
15 CUT15 5.1668E-03 1.0197E+07
38 Hydrocarbon-Water Phase Separation
Table 17 compares the different product flowrates for each of the four
flash types. Note that PRO/II breaks down the two liquid phases into
hydrocarbon and water content. For this example the second liquid
(water) phase contains only 0.04 mol % (0.9/2211.7) of hydrocarbon.
All three solubility correlations give similar results for the total flowrate
of each product. The rigorous three-phase FLASH with SRKKD thermo-
dynamics results in significantly more water in the hydrocarbon phase
and thus less water in the water-dominated phase, than any of the three
VLE FLASH units with water decant.
The best method for selecting a VLLE or a VLE thermodynamic system
with a water solubility correlation is to compare the simulation results of
each system with actual process data. Since this is not always possible,
the PRO/II Keyword Manual and the PRO/II Reference Manual provide
guidelines for the selection of an appropriate thermodynamic system and
water solubility correlation.
Table 17: Comparison of VLE and VLLE Flash Results
Flowrate
(lb-mol/hr)
Water Solubility Method
SIMSCI KEROSENE EOS RIGOROUS
Vapor 2568.1 2561.6 2646.7 2661.9
Liquid 1
Hydrocarbon
Water
2746.8
2655.9
90.9
2766.7
2661.1
105.6
2749.2
2626.0
123.2
2780.5
2624.4
156.1
Liquid 2
Water
Hydrocarbon
2339.1
2339.1
0.0
2325.8
2325.8
0.0
2258.1
2258.1
0.0
2211.6
2210.8
0.8
Naphtha Assay - Part 1
# TASK Enter the assay data for the naphtha feed described below and generate a
set of petroleum components. Also create a plot of the calculated TBP
curve and component cuts. The light ends make up 5% of the total liquid
volume. Use SRK thermodynamics with API liquid density to model the
system.
To represent the boiling curve more closely, increase the number of
pseudocomponents by using twenty-one 18F (10C) cuts from 80F to
460F (30C to 240C). The process data is given in Table 18.
SOLUTION Build the flowsheet and enter the UOM, components, and thermody-
namic data, as usual.
Step 1 Modify the Assay Characterization Data
To represent the boiling curve more closely, you must increase the num-
ber of pseudocomponents by using twenty-one 18F (10C) cuts from
80F to 460F (30C to 240C).
Click the Assay Characterization button on the toolbar.
Click .
Table 18: Naphtha Feed Data
ASTM D86 Data Light Ends
LV% T(F) T(C) Component Mole %
3 90 32 isobutane 0.70
5 125 52 butane 2.15
10 195 90 isopentane 0.86
30 250 121 pentane 3.58
50 280 138
70 310 154 Total 5% liq. volume
90 390 199
95 418 214
98 430 221
Flowrate 1000 lb/hr 450 kg/hr
Pressure 1 atm
Average API gravity 54.2 Average Specific Gravity 0.762
Modify Primary Set...
40 Naphtha Assay - Part 1
In the Primary TBP Cutpoints Definition dialog box, change the
Minimum Temperature for First Interval to 80F (30C).
In first row, enter 460F (240C) as the Maximum Temperature for
the Interval and 21 as the Number of Pseudocomponents in Interval.
Leave the default data for the second and third intervals as they are.
Click to return to the Assay Cutpoints and Characterization
Options dialog box.
Click and change the Initial Point from
its default to 3%, and Distillation Curve Interconversion to API
1994.
Close the windows by Clicking .
Step 2 Define the Assay Stream
Add a stream into the flowsheet and double-click on the stream and
select Petroleum Assay as the Stream Type.
Click and enter the rate.
To define a new assay:
In the Stream Data - Flowrate and Assay dialog box, click
.
Choose ASTM D86 and enter the distillation data in the grid. You
can use the <Tab> key to move from cell to cell in the grid.
Select API Gravity and enter the average value.
Figure 35 shows these entries.
Figure 35:
Assay Definition
OK
OK
Flowrate and Assay...
Define/Edit Assay...
To enter the lightends composition:
In the Assay Definition dialog box, click .
Choose Percent of Assay and enter 5 as the LV percent figure.
Check the box next to Assay lightends information for stream
NAPHTHA_FEED and enter the molar composition of each compo-
nent in the grid.
Because the lightends compositions do not add up to 1 or 100, you
must check the Normalize box.
Figure 36 shows these entries.
Figure 36:
Assay Lightends Data
Back in the Stream Data dialog box, enter Temperature and Pres-
sure values. Click to return to the flowsheet.
You will be asked whether you want to generate the pseudocomponents
now or at a later time. Answer No.
Step 3 Generate the Pseudocomponents
If you have not already generated the pseudocomponents, you can do so
at any time by selecting Input/Generate Assay Components from the
menu bar. Then:
To view the list of pseudocomponents, open the Component Selec-
tion dialog box.
To look at the petroleum property data generated for the pseudocom-
ponents, generate an output report and view it.
Lightends...
OK
Figure 37:
Component Summary
To view assay processing curve, click in the Assay
Definition dialog box.
Figure 38:
Assay Processing
Plot
Please save this simulation as NAPHTH1.PRZ and you will use this simu-
lation in the next exercise.
View Curve...
# TASK In this exercise you will use the assay stream you created in NAPHTH1
and manipulate it using two flash drums. The first flash drum predicts
the temperature at which 80% of the feed is recovered in the vapor. The
second flash drum predicts the quantity of liquid that drops out when a
temperature drop is imposed on that vapor.
SOLUTION Open the simulation named NAPHTH1.PRZ and save it under a new
name, NAPHTH2.PRZ.
Step 1 Build the Process Flow Diagram
Add two flash drums to the flowsheet and connect, as shown below.
Connect the stream NAPHTHA_FEED to the first flash drum.
Figure 39:
PRO/II Flowsheet
Step 2 Enter Unit Operating Conditions
Enter unit data from Table 19 into both flash drums.
Express the recovery specification in Flash F1 as the ratio of one
stream's flowrate to that of another. You can define a recovery on the
basis of one component or a range of components or, as here, on the total
stream. Set the specification so that it matches the figure shown below.
D-1 Flash drum Pressure = 0.8 atm
80 / 20 vapor/liquid split
D-2 Flash drum Temperature Drop = 18F (10C)
Pressure Drop = 0.1 atm
Because the feed temperature of flash F2 is unknown until the first flash
has executed, you cannot enter an absolute value at this time. You can,
however, enter a relative value, as shown below.
Add a STREAM PROPERTY TABLE to display a Short Property List for
all the streams in the flowsheet.
Run the simulation and observe the temperatures, pressures and
flowrates on the STREAM PROPERTY TABLE. Verify that they accu-
rately reflect the specifications you entered.
Figure 40:
Short Property Table
Please save this simulation as NAPHTH2.PRZ and you will use this simu-
lation in the next exercise.
# TASK Using the assay stream and flashes from NAPHTH2, you will now exam-
ine the effects of varying the vapor/liquid split in the first flash drum on
the duty of the second flash drum. Run cases at vapor fractions from
80% (the base case) to 40% in 10% increments.
SOLUTION Open the simulation named NAPHTH2.PRZ and save it under a new
name, NAPHTH3.PRZ.
Step 1 Enter Case Study Data
Click the Case Study button on the toolbar to open the Case Study
Parameters and Results dialog box.
Check the Define Case Study box.
In the first row of the Parameter field, click Parameter.
Select Flash from the Unit/Stream list, F1 from the Unit Name list.
Click Parameter and select Product Specification.
Specify 5 cycles and a step size of -0.1.
In the first row of the Result field, click Parameter and select Flash
F2 Duty.
Figure 41 shows the completed dialog box.
Figure 41:
Completed Case
Study Parameters
Dialog Box
Step 2 Run the Simulation
Click the Run button to run the simulation.
Step 3 View Output in a Tabular Format
Select Output/Case Study from the menu bar and then Tables from
the submenu to open the Case Study Tables dialog box.
Enter a table name in the first row and click .
Move the variables you want to appear in the table from the Avail-
able Variables list to the Selected Variables list.
Click on Columns to change the default to Display cycles in Rows.
Click to view the results.
Figure 42:
Case Study Results in
a Tabular Format
Step 4 View Output in a Graphical Format
Define a plot that shows the change in F2 duty with the change in F1
split.
Select Output/Case Study from the menu bar and then Plots from the
submenu to open the Case Study Plots dialog box.
Enter a plot name in the first row and click .
Highlight F1SPLIT from the Available Variables list and X-Axis
from the other list.
Enter a label in the Label/Legend field, if desired.
Click , followed by .
Highlight F2DUTY from the Available Variables list and Y-Axis#1
in the other list.
Enter a label in the Label/Legend field, if desired.
Click , followed by .
Data...
View Table...
Data...
Update Add ->
Update Add ->
Figure 43:
Case Study - Plot
Definition Dialog Box
To view the plot, click .
Figure 44:
F2 Duty as a Function
of F2 Liquid/Vapor
Ratio
Please save this simulation as NAPHTH3.PRZ.
Preview Plot...
48 Phase Envelope
Phase Envelope
# TASK A vapor stream normally condenses when you increase pressure and/or
decrease temperature. Under certain conditions, however, it is possible
for a vapor stream to undergo partial condensation as its pressure is
reduced (at a fixed temperature) or as its temperature is increased (at a
fixed pressure). This counter-intuitive phenomenon, called retrograde
condensation, is particularly important in the production of petroleum
from deep gas wells.
Typically, as a gas is brought to the surface its pressure decreases until it
matches that of the receiving vessel, which is at ambient temperature.
The pressure of the vessel is set to lie in the two-phase region at that
temperature so that partial condensation of the gas occurs. The con-
densed liquid, enriched in the more-valuable heavy components, is
recovered. The remaining vapor is repressurized and injected back into
the well.
Figure 45:
Petroleum Recovery
from a Deep Gas Well
Gas
T = 150F
P = 2500 psia
Component Mole %
C1 82
C2 7
C3 4
IC4 2
NC4 2
IC5 and heavier 3
Flowrate 100 lb-mole/hr 45 kg-mole/hr
You want to examine the characteristics of the gas in the receiving ves-
sel so that you can make a decision about the pressure required to maxi-
mize the amount of liquid condensed.
Generate a phase envelope plot for the feed stream. Also generate lines
of constant liquid mole fraction at 5%, 10% and 15%.
At an ambient temperature of 50F (10C), what pressure will be needed
to maximize the production of liquid?
SOLUTION After defining the components and thermodynamic method, add a
stream to the flowsheet and enter stream data. Add a Phase Envelope to
the flowsheet.
In the Phase Envelope dialog box, select the feed stream in the first row
of the grid. In the second row, select the feed stream and enter a Liquid
Mole Fraction of 0.05. In the same way, enter the other liquid mole frac-
tions in rows three and four. Click on , change Individual
to Comparison for each curve, and enter 1 through 5 for Plot Symbols.
Plot five graphs: one for each of the plots and one showing all the plots
together. Run the simulation. Select Output/Generate Plot... from the
menu bar and plot the phase envelope.
The resulting phase envelope for this exercise is shown below.
Figure 46:
Phase Envelope, PH1
Plot Options
50 Compressor Curves
Compressor Curves
# TASK Set up a simulation of part of a refrigeration loop. The flowsheet, stream
and process data are shown below.
Figure 47:
Refrigeration Loop
Flowsheet
Compressor
Separator
8
1 3 2
Vaporizor
Valve
Cooler
Surge
4
5
6
7
Component Mole%
Ethane 1.04
Propane 96.94
i-Butane 1.68
n-Butane 0.34
Total Flowrate 16500 lb-mol/hr 7485 kg-mol/hr
Temperature 15.5F -9.2C
Unit Data
Valve Outlet pressure
87 psia
600 kPa
Cooler Hotside: Process stream duty
Pressure drop
2x10
6
BTU/hr
4.4 psi
2.11x10
6
kJ/hr
30 kPa
Separator Adiabatic flash, zero pressure drop
Vaporizer Coldside:
Pressure drop
Process stream product at dew point
8.8 psi 61 kPa
Surge Mixer. Outlet pressure 65 psia 450 kPa
Compressor Curves Flowrate
(ft
3
/hr) (m
3
/hr)
Actual Head
(ft) (m)
Adiabatic
Efficiency
900000 25485 38000 11582 69
1000000 28317 37000 11278 71
1240000 35113 35300 10760 72
1360000 38511 33100 10089 73
1430000 40493 27250 8306 71
SOLUTION Place the minimum number of units on the PFD.
Name the units and streams so that the flowsheet looks like Figure 48.
Figure 48:
Modified Flowsheet
In the Compressor dialog box, select Actual Head Curve and click
. Enter the table of Volumetric Flowrate against Head
and click . Select Single Adiabatic Efficiency Curve from the Effi-
ciency or Temperature Specification list and enter the efficiency data.
Hint: You can reduce the number of units by combining the cooler
and separator. You cannot feed streams 4 and 6 directly into
the compressor because the surge mixer has an outlet pressure
specification.
V1
H2
H3
M1
C1
1 2
4
5
6
7
8
Enter Curve...
OK
Figure 49:
Compressor C1
Results
English Units

---------- ----------
Outlet Temperature, F 182.39
Outlet Pressure, PSIA 321.54
Pressure Increase, PSI 256.54

Actual Work, HP 13099.77
Head, FT 35525.17
Adiabatic Efficiency 71.89
Polytropic Efficiency 75.26
Metric Units

---------- ----------
Outlet Temperature, C 83.55
Outlet Pressure, KPA 2216.81
Pressure Increase, KPA 1768.65

Actual Work, KW 9769.40
Head, M 10828.02
Adiabatic Efficiency 71.89
Polytropic Efficiency 75.26
52 Debutanizer
Debutanizer
# TASK A debutanizer removes C4 and lighter components from a mixed Naph-
tha and LPG feed stream. The Naphtha feed has been changed and you
must ensure that the column can still meet the process requirements such
as product recoveries and column duties.
Figure 50:
Debutanizer Process
All the data required for this simulation are summarized in the tables
below.
OVHD
BTMS
Naphtha
LPG
338F
15
32
1
270 psia
Table 23: LPG Feed Data
Component Mole %
H2 0.3
H2S 0.2
C1 0.7
C2 5.5
C3 28.5
IC4 11.7
NC4 49.0
IC5 4.1
Flowrate 400 ft
3
/hr 11.3 m
3
/hr
The VLE and enthalpies of natural gas systems are generally modeled
well by equations of state such as Peng-Robinson or Soave-Redlich-
Kwong. However, these methods are less good at predicting liquid den-
sity so a different method, such as COSTALD or API, should be used.
Table 24: Naphtha Feed Data
ASTM D86 Data
Liquid Volume % Temperature
(F) (C)
0 104 40
5 144 62
10 158 70
30 196 91
50 228 109
70 248 120
90 284 140
95 311 155
100 329 165
Average Specific Gravity = 0.75
Lightends Data
Component Liquid Volume %
C3 0.07
IC4 0.21
NC4 0.42
IC5 3.24
NC5 6.06
10% liquid volume of assay
Flowrate 3200 ft
3
/hr 90 m
3
/hr
Table 25: Column Operating Conditions
Feed Temperature 338F 170C
Condenser Type Bubble Point
Condenser Pressure 185 psia 1275 kPa
Top Tray Pressure 190 psia 1310 kPa
Column Pressure Drop 4.3 psi 30 kPa
Reboiler Type Kettle
Hint: Use the Define feature to set the overhead rate from the col-
umn as all the C4 and lighter components in the column feed.
54 Debutanizer
Answer the following questions:
1. Can the column still recover 99% of the C4 components overhead
with a loss of only 1% of the C5 components?
2. What are the duties on the condenser and reboiler?
3. What is the reflux ratio?
SOLUTION As the column has converged with the required recovery specifications,
it can clearly cope with the new service.
Table 26: Results for Both English and Metric Input
English Metric
Duties (x 10
6
)
Condenser -11.8808 Btu/hr -12.2126 kJ/hr
Reboiler 16.7205 Btu/hr 17.2770 kJ/hr
Reflux Ratio 4.4086 4.2643
Rigorous Heat Exchanger
# TASK An existing heat exchanger runs with a shellside outlet temperature of
161F. You want to increase the throughput of the exchanger and need to
calculate the shellside outlet temperature under the new conditions. Set
up the simulation of the exchanger. This exercise is in two parts:
Part A Determine the fouling of the heat exchanger under present operating
conditions.
Part B Using the fouling results from Part A, rate the existing fouled exchanger
for the increased throughput.
The flowsheet, stream and process data are provided below.
Figure 51:
Schematic of a
Rigorous Heat
Exchanger
BT1
FD1
FD2
BT2
EA1
Component FD1 Mole % BT1 Mole %
NC4 15 4
IC5 14 15
NC5 16 16
NC6 22 25
NC7 13 15
NC8 20 25
Temperature 70F 220F
Pressure 195 psia 135 psia
Current Flowrate 550000 lb/hr 500000 lb/hr
Increased Flowrate 606000 lb/hr 660000 lb/hr
56 Rigorous Heat Exchanger
Heat Exchanger Data
SOLUTION
Part A Determine the fouling of the heat exchanger under current operating
conditions. In this part of the exercise, you require a shellside outlet tem-
perature of 161F.
Build the flowsheet and enter the UOM, components, and thermody-
namic data, as usual. Enter stream data.
In this example, the shellside outlet temperature is given and we want to
determine the fouling resistance. Select Shell Outlet Temperature from
the list and enter the value in the Temperature field.
Click each button and enter the appropriate data. Fields outlined in
green means that, if you do not enter a value, PRO/II calculates one.
In the Film Coefficients dialog box, set the tubing fouling resistance
to 0.
You want PRO/II to calculate an overall fouling resistance to meet the
specification. You could supply values for both the tubeside and a shell-
side fouling resistances and have PRO/II adjust them to meet the perfor-
mance specification. However, for simplicity, it is easier to set the
tubeside fouling resistance to zero and allow PRO/II to report the calcu-
lated overall resistance as the required shellside resistance.
Click to check the Extended box to request an addi-
tional data sheet with information about stream properties, heat
exchanger configuration and hydrodynamics.
Run the simulation and view the results. Make a note of the required
shellside fouling resistance.
Print Options...
58 Rigorous Heat Exchanger

Part B Using the fouling results you have just calculated, rate the existing
fouled exchanger for the increased throughput.
Change the flowrates of both feed streams.
Click , and enter the new value for the shellside
fouling resistance calculated in Part A.
In the Rigorous Heat Exchanger main dialog box, change the Calcu-
lation Type to Rating (Predictive).
Run the simulation and view the results. Note the tubeside and shell-
side exit temperatures.
Figure 52:
Heat Exchanger
Results
- Part A
SHELL AND TUBE EXCHANGER DATA SHEET FOR EXCHANGER 'E1'
I--------------------------------------------------------------------I
I EXCHANGER NAME UNIT ID E1 I
I SIZE 36 - 240 TYPE AES HORIZONTAL CONNECTED 1 PARALLEL 1 SERIES I
I AREA/UNIT 2295. FT2 ( 1984.FT2 REQUIRED ) AREA/SHELL 2295. FT2 I
I--------------------------------------------------------------------I
I PERFORMANCE OF ONE UNIT SHELL-SIDE TUBE-SIDE I
I--------------------------------------------------------------------I
I FEED STREAM ID BT1 FD1 I
I FEED STREAM NAME I
I TOTAL FLUID LB/HR 500000. 550000. I
I VAPOR (IN/OUT) LB/HR / / I
I LIQUID LB/HR 500000./500000. 550000./550000. I
I STEAM LB/HR / / I
I WATER LB/HR / / I
I NON CONDENSIBLE LB/HR I
I TEMPERATURE (IN/OUT) DEG F 220.0 / 161.0 70.0 / 129.8 I
I PRESSURE (IN/OUT) PSIA 135.00 / 133.26 195.00 / 189.64 I
I--------------------------------------------------------------------I
I SP. GR., LIQ (60F/60F H2O) 0.662 / 0.662 0.653 / 0.653 I
I VAP (60F/60F AIR) / / I
I DENSITY, LIQUID LB/FT3 35.822 / 38.094 40.509 / 38.539 I
I VAPOR LB/FT3 / / I
I VISCOSITY, LIQUID CP 0.147 / 0.210 0.289 / 0.220 I
I VAPOR CP / / I
I THRML COND,LIQ BTU/HR-FT-F 0.0587 / 0.0654 0.0754 / 0.0687 I
I VAP BTU/HR-FT-F / / I
I SPEC.HEAT,LIQUID BTU/LB-F 0.6317 / 0.5937 0.5328 / 0.5759 I
I VAPOR BTU/LB-F / / I
I LATENT HEAT BTU/LB I
I VELOCITY FT/SEC 1.12 6.93 I
I DP/SHELL PSI 1.74 5.36 I
I FOULING RESIST HR-FT2-F/BTU 0.00200 ( 0.00343 REQD) 0.00000 I
I--------------------------------------------------------------------I
I TRANSFER RATE BTU/HR-FT2-F SERVICE 109.64 (94.78 REQD)CLEAN 140.43 I
I HEAT EXCHANGED MM BTU/HR 18.207 MTD(CORRECTED) 83.7 FT 0.924 I
I--------------------------------------------------------------------I
I CONSTRUCTION OF ONE SHELL SHELL-SIDE TUBE-SIDE I
I--------------------------------------------------------------------I
I DESIGN PRESSURE PSIA 300. 300. I
I NUMBER OF PASSES 1 2 I
I MATERIAL CARB STL CARB STL I
I INLET NOZZLE ID IN 8.0 8.0 I
I OUTLET NOZZLE ID IN 8.0 8.0 I
I--------------------------------------------------------------------I
I TUBE: NUMBER 600 OD 0.750 IN BWG 14 LENGTH 20.0 FT I
I TYPE BARE PITCH 1.3 IN PATTERN 60 DEGREES I
I SHELL: ID 36.00 IN SEALING STRIPS 0 PAIRS I
I BAFFLE: CUT 0.300 SPACING (IN/CENT/OUT): IN 24.0/24.0/24.0,SINGLE I
I RHO-V2: INLET NOZZLE 4419.5 LB/FT-SEC2 I
I TOTAL WEIGHT/SHELL,LB 10393.6 FULL OF WATER 30135.8 BUNDLE 11825.0 I
I--------------------------------------------------------------------I
Film Coefficients...

Figure 53:
Heat Exchanger
Results
- Part B
SHELL AND TUBE EXCHANGER DATA SHEET FOR EXCHANGER 'E1'
I--------------------------------------------------------------------I
I EXCHANGER NAME UNIT ID E1 I
I SIZE 36 - 240 TYPE AES HORIZONTAL CONNECTED 1 PARALLEL 1 SERIES I
I AREA/UNIT 2295. FT2 AREA/SHELL 2295. FT2 I
I--------------------------------------------------------------------I
I PERFORMANCE OF ONE UNIT SHELL-SIDE TUBE-SIDE I
I--------------------------------------------------------------------I
I FEED STREAM ID BT1 FD1 I
I FEED STREAM NAME I
I TOTAL FLUID LB/HR 660000. 606000. I
I VAPOR (IN/OUT) LB/HR / / I
I LIQUID LB/HR 660000. / 660000. 606000. / 606000. I
I STEAM LB/HR / / I
I WATER LB/HR / / I
I NON CONDENSIBLE LB/HR I
I TEMPERATURE (IN/OUT) DEG F 220.0 / 170.1 70.0 / 130.9 I
I PRESSURE (IN/OUT) PSIA 135.00 / 131.96 195.00 / 188.64 I
I--------------------------------------------------------------------I
I SP. GR., LIQ (60F/60F H2O) 0.662 / 0.662 0.653 / 0.653 I
I VAP (60F/60F AIR) / / I
I DENSITY, LIQUID LB/FT3 35.822 / 37.762 40.509 / 38.500 I
I VAPOR LB/FT3 / / I
I VISCOSITY, LIQUID CP 0.156 / 0.193 0.293 / 0.212 I
I VAPOR CP / / I
I THRML COND,LIQ BTU/HR-FT-F 0.0535 / 0.0578 0.0677 / 0.0609 I
I VAP BTU/HR-FT-F / / I
I SPEC.HEAT,LIQUID BTU/LB-F 0.6417 / 0.6008 0.5328 / 0.5767 I
I VAPOR BTU/LB-F / / I
I LATENT HEAT BTU/LB I
I VELOCITY FT/SEC 1.48 7.64 I
I DP/SHELL PSI 3.04 6.36 I
I FOULING RESIST HR-FT2-F/BTU 0.00343 0.00000 I
I--------------------------------------------------------------------I
I TRANSFER RATE BTU/HR-FT2-F SERVICE 100.20 CLEAN 152.66 I
I HEAT EXCHANGED MM BTU/HR 20.443 MTD(CORRECTED) 88.9 FT 0.940 I
I--------------------------------------------------------------------I
I CONSTRUCTION OF ONE SHELL SHELL-SIDE TUBE-SIDE I
I--------------------------------------------------------------------I
I DESIGN PRESSURE PSIA 300. 300. I
I NUMBER OF PASSES 1 2 I
I MATERIAL CARB STL CARB STL I
I INLET NOZZLE ID IN 8.0 8.0 I
I OUTLET NOZZLE ID IN 8.0 8.0 I
I--------------------------------------------------------------------I
I TUBE: NUMBER 600 OD 0.750 IN BWG 14 LENGTH 20.0 FT I
I TYPE BARE PITCH 1.3 IN PATTERN 60 DEGREES I
I SHELL: ID 36.00 IN SEALING STRIPS 0 PAIRS I
I BAFFLE: CUT 0.300 SPACING (IN/CENT/OUT): IN 24.0/26.54/24.0,SINGLE I
I RHO-V2: INLET NOZZLE 7700.6 LB/FT-SEC2 I
I TOTAL WEIGHT/SHELL,LB 10393.6 FULL OF WATER 30135.8 BUNDLE 11825.0 I
I--------------------------------------------------------------------I
60 Two Stage Compressor
Two Stage Compressor
# TASK A natural gas stream is compressed before entering a pipeline. The
stream is first compressed to 12 bar and then to 26 bar. Liquid condenses
in the compressor aftercoolers and is recycled back to the previous stage.
The liquid product is removed from the feed flash.
Figure 54:
Two Stage
Compressor
Flowsheet
Use the Peng-Robinson thermodynamic method with the COSTALD
correlation for liquid density.
All the data required for this simulation are summarized in the tables
below.
D-3
C-1
HX-1
D-2 D-1
Feed
C-2
HX-2
Vapor
Liquids
S2
S1
S3
S7 S11
S4 S5
S6 S8 S9
S10
100F
70 psia
Component Flowrate
(lb-mol/hr) (kg-mol/hr)
Nitrogen 400 180
Carbon dioxide 4230 1920
Methane 32000 14520
Ethane 20000 9070
Propane 16000 7260
i-Butane 1700 770
n-Butane 6200 2810
i-Pentane 2100 950
n-Pentane 3600 1630
n-Hexane 3400 1540
C7 Plus (model as NC9) 7000 3180
Pressure 70 psia 5 bar
Part A Answer the following questions:
1. What are the amounts of liquid and vapor leaving the process?
2. What compressor work is required for each stage?
3. What are the stream temperatures entering the aftercoolers?
4. What are the aftercooler duties?
Part B If you have time, answer the following questions:
1. Can the same information still be obtained with fewer units in the
flowsheet? If so, simulate it and check that the data are available and
that the values are the same as in the original calculation.
2. Assuming that you only want to know the product streams from the
process, simulate the process with the minimum number of units
required.
SOLUTION
Part A The actual work is 43808 HP (32456 kW) for C-1 and 42804 HP (30893
kW) for C-2.
The temperatures entering the aftercooler are shown on the compressor
output and on the stream results. They are 196.5F (93.3C) for C-1 and
214.9F (103.7C) for C-2.
The aftercooler duties are 80.1x10
6
Btu/hr (82.9x10
6
kJ/hr) for HX-1
and 153.9x10
6
Btu/hr (152.6x10
6
kJ/hr) for HX-2.
Table 29: Unit Operating Conditions
Compressor C-1
Outlet Pressure 170 psia 12 bar
Adiabatic Efficiency 74% 74%
Compressor C-2
Outlet Pressure 380 psia 26 bar
Adiabatic Efficiency 72% 72%
Heat Exchanger HX-1
Exit Temperature 135F 60C
Pressure Drop 5 psi 0.35 bar
Heat Exchanger HX-2
Exit Temperature 135F 60C
Pressure Drop 5 psi 0.35 bar
62 Two Stage Compressor
Figure 54 shows the stream summaries for the liquid outlet stream, S3,
and the vapor outlet stream, S10.
Part B 1. The heat exchangers are not required. You could omit these and use
the aftercooler option on the compressor. All the information
requested is still available.
2. If you only need the product stream information, compressor C-2
(and its aftercooler) may be removed. Set the flash D-3 to the condi-
tions leaving the aftercooler and the products will be identical. You
cannot remove C-1 as the temperature of D-2 is unknown. Liquid
from D-3 is flashed into the drum and reduces the temperature below
the aftercooler exit temperature. However, to simplify the flowsheet,
C-1 and its aftercooler could be replaced by a flash drum.
Figure 55:
Stream Summary for
Streams S3 and S10
English Units
STREAM 'S3'

TOTAL
----------
RATE, LB-MOL/HR 15629.9004

MOLAR FLOWRATES, LB-MOL/HR
1 - N2 0.5471
2 - CO2 45.8175
3 - C1 141.4767
4 - C2 486.4024
5 - C3 1178.3664
6 - IC4 273.1566
7 - NC4 1308.8244
8 - IC5 847.2167
9 - NC5 1682.4803
10 - NC6 2667.2460
11 - NC9 6998.3663
STREAM 'S10'

TOTAL
----------
RATE, LB-MOL/HR 80988.7220

MOLAR FLOWRATES, LB-MOL/HR
1 - N2 399.4505
2 - CO2 4184.0733
3 - C1 31858.0695
4 - C2 19512.5552
5 - C3 14819.5615
6 - IC4 1426.3681
7 - NC4 4889.0529
8 - IC5 1251.3970
9 - NC5 1915.0068
10 - NC6 731.0926
11 - NC9 2.0944
Metric Units
STREAM 'S3'

TOTAL
----------
RATE, KG-MOL/HR 6929.9789
TEMPERATURE, C 40.00
PRESSURE, BAR 5.00

MOLAR FLOWRATES, KG-MOL/HR
1 - NITROGEN 0.2451
2 - CO2 20.1492
3 - METHANE 63.1166
4 - ETHANE 211.7885
5 - PROPANE 505.7845
6 - IBUTANE 115.6366
7 - NBUTANE 552.4385
8 - IPENTANE 354.3091
9 - PENTANE 704.4548
10 - HEXANE 1124.4488
11 - NC9 3177.6072
STREAM 'S10'

TOTAL
----------
RATE, KG-MOL/HR 36995.6775
TEMPERATURE, C 60.00
PRESSURE, BAR 25.65

MOLAR FLOWRATES, KG-MOL/HR
1 - NITROGEN 179.7539
2 - CO2 1899.8059
3 - METHANE 14456.6954
4 - ETHANE 8857.7931
5 - PROPANE 6752.4271
6 - IBUTANE 654.1972
7 - NBUTANE 2256.8271
8 - IPENTANE 595.2574
9 - PENTANE 924.7489
10 - HEXANE 414.5482
11 - NC9 2.6230
Propylene Chlorination Reactor
# TASK In a propylene chlorination plant, chlorine reacts with propylene to pro-
duce allyl chloride, 1,2-dichloropropane, 1,3-dichloropropene and
hydrogen chloride. The reaction takes place at 800F (425C) and 70
psia (5 kg/cm
2
) in a homogeneous gas phase reactor and the resulting
products are separated in a fractionation section. Most of the unreacted
propylene is recycled back to the reactor. The reactor volume is 10 ft
3
(0.3 m
3
). For a product flowrate estimate, lets assume that nearly all the
chlorine is converted, i.e., Cl
2
in S13 = 1% CL2 flowrate.
Figure 56:
Propylene
Chlorination Reactor
The flowsheet, stream and process data are shown below. Use Soave-
Redlich-Kwong thermodynamics with Costald liquid densities.

PRPL

CL2

CST1

PROD
PRPL CL2
Composition 100% proplylene 100% chlorine
Flowrate 220 lb-moles /hr 100 kg-moles/hr 250 lb-moles/hr 115 kg-moles/hr
Temperature 59F 15C 79F 26C
Pressure 200 psia 14 kg/cm
2
100 psia 7 kg/cm
2
Table 31: Reaction Data (English)
Reaction Rate Equation
Reaction rates are in lb-mole/ft
3
hr. Activation energies are in BTU/lb-mole.
Cl
2
C
3
H
6
+ C
3
H
5
Cl HCl + Rate 3.36 10
12
e
27009.6
RT
----------------------

C
Cl
2
( ) C
C
3
H
6
( ) =
Cl
2
C
3
H
6
+ C
3
H
6
Cl
2
Rate 1.91 10
8
e
6811.98
RT
----------------------

C
Cl
2
( ) C
C
3
H
6
( ) =
Cl
2
C
3
H
5
Cl + C
3
H
4
Cl
2
HCl + Rate 7.51 10
15
e
42300
RT
------------------

C
Cl
2
( ) C
C
3
H
5
Cl
( ) =
64 Propylene Chlorination Reactor
SOLUTION Build the flowsheet and enter the UOM, components, and thermody-
namic data, as usual.
Step 1 Enter Reaction Data
In the Reaction Data dialog box, enter a Reaction Set Name and
click . The Reaction Definitions dialog box appears.
There are three reactions. In the first row of the grid, enter a name
for the first reaction.
Click on the Reactants = Products text to open the Reaction Compo-
nents dialog box.
In the first reaction, one mole of chlorine reacts with one mole of propy-
lene to form one mole of allyl chloride and one mole of hydrogen chlo-
ride, as shown below in Figure 57.
Figure 57:
Stoichiometry for the
First Reaction
Table 32: Reaction Data (Metric)
Reaction Rate Equation
Reaction rates are in kg-mole/m
3
hr. Activation energies are in kcal/kg-mole.
Cl
2
C
3
H
6
+ C
3
H
5
Cl HCl + Rate 2.1 10
11
e
15005.4
RT
----------------------

C
Cl
2
( ) C
C
3
H
6
( ) =
Cl
2
C
3
H
6
+ C
3
H
6
Cl
2
Rate 1.19 10
7
e
3784.45
RT
----------------------

C
Cl
2
( ) C
C
3
H
6
( ) =
Cl
2
C
3
H
5
Cl + C
3
H
4
Cl
2
HCl + Rate 4.69 10
14
e
23500.1
RT
----------------------

C
Cl
2
( ) C
C
3
H
5
Cl
( ) =
Enter Data...
Enter the stoichometric data for the second and third reactions in a simi-
lar manner until all three Reaction Definitions are blue in the Reaction
Definitions dialog box.
The equations conform to the default Power Law Kinetic Rate Calcula-
tion Method so you do not need to change this, just enter the data.
Figure 58:
Reaction Definitions
For the first reaction, click to enter kinetic data.
Since this reaction takes place in the vapor phase, change the Default
Phase to Vapor.
The completed dialog box is shown below.
Figure 59:
Kinetic Data for the
First Reaction
K...
Enter the kinetic data for the second and third reactions in a similar way.
In the Continuous Stirred Tank/Boiling Pot Reactor dialog box,
select the Reaction Set you have just created.
Enter the Fixed Temperature.
Click and enter the Reactor Volume (Figure 60a).
Click and enter 2.5 lbmoles/hr Cl
2
1% CL2
flowrate [250 * 0.01 = 2.5] (Figure 60b).
Figure 60:
(a) Reactor Volume
(b) Product Estimates
Save the data and return to the main CST Reactor dialog box.
Click and enter the Outlet Pressure.
The completed dialog box is shown in Figure 61.
Figure 61:
Reactor
Specifications
Run the simulation and view the results.
Reactor Data...
Product Estimates...
Pressure...
Approximately 94% of the chlorine and 62% of the propylene is con-
verted into the products allyl chloride, 1,2-dichloropropane, 1,3-dichlo-
ropropene and hydrogen chloride.
Figure 62:
Reactor Summary English UOM

REACTOR TYPE ISOTHERMAL
DUTY, MM BTU/HR -5.0728
TOTAL HEAT OF REACTION AT 77.00 F, MM BTU/HR -12.0313
VOLUME, FT3 10.0000
SPACE-TIME, HR AT OUTLET CONDITIONS 1.158E-04
SPACE-VELOCITY, /HR AT OUTLET CONDITIONS 8639.0894

INLET OUTLET
----------- -----------
FEED PRPL
CL2
VAPOR PRODUCT PROD
TEMPERATURE, F 52.41 800.00
PRESSURE, PSIA 100.0000 70.0000

REACTION DATA

------- RATES, LB-MOL/HR -------- FRACTION
COMPONENT FEED CHANGE PRODUCT CONVERTED
--------------- ----------- ---------- ---------- ----------
1 CL2 249.9997 -235.2700 14.7297 0.9411
2 C3H6 219.9999 -135.5169 84.4830 0.6160
3 ACL 0.0000 14.8506 14.8506
4 12PR 0.0000 20.9131 20.9131
5 13PE 0.0000 99.7531 99.7531
6 HCL 0.0000 214.3569 214.3569

TOTAL 469.9996 -20.9131 449.0864
Metric UOM

REACTOR TYPE ISOTHERMAL
DUTY, M*KCAL/HR -1.3273
TOTAL HEAT OF REACTION AT 25.00 C, M*KCAL/HR -3.0835
VOLUME, M3 0.3000
SPACE-TIME, HR AT OUTLET CONDITIONS 1.240E-04
SPACE-VELOCITY, /HR AT OUTLET CONDITIONS 8066.0654

INLET OUTLET
----------- -----------
FEED PRPL
CL2
VAPOR PRODUCT PROD
TEMPERATURE, C 11.24 425.00
PRESSURE, KG/CM2 7.0000 5.0000

REACTION DATA

------- RATES, KG-MOL/HR -------- FRACTION
COMPONENT FEED CHANGE PRODUCT CONVERTED
---------------- --------- ---------- ---------- -----------
1 CL2 115.0000 -108.4534 6.5466 0.9431
2 C3H6 100.0000 -62.4710 37.5290 0.6247
3 ACL 0.0000 6.7156 6.7156
4 12PR 0.0000 9.7729 9.7729
5 13PE 0.0000 45.9824 45.9824
6 HCL 0.0000 98.6805 98.6805

TOTAL 215.0000 -9.7729 205.2271
Appendix A - Keyword (.INP) Files - English UOM
TITLE
DIMENSION ENGLISH, PRES=PSIG
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,N2/2,CO2/3,METHANE/4,ETHANE/5,PROPANE/6,IBUTANE/7,BUTANE/ &
8,IPENTANE/9,PENTANE
PETRO 10,C6PLUS,,73.0001,210
PHASE VL=10
THERMODYNAMIC DATA
METHOD SYSTEM=PR, TRANSPORT=PETR, SET=PR01, DEFAULT
STREAM DATA
PROPERTY STREAM=INLET_GAS, TEMPERATURE=120, PRESSURE=190.3, PHASE=M, &
RATE(GV)=1.66667E6, COMPOSITION(M)=1,1/2,1.6/3,72.5/4,11.5/ &
5,6.75/6,1.25/7,3/8,0.55/9,1.1/10,0.75
UNIT OPERATIONS
FLASH UID=D-1
FEED INLET_GAS
PRODUCT V=2, L=3
ISO TEMPERATURE=84.999, PRESSURE=203
PUMP UID=P-1
FEED 3
PRODUCT M=17
OPERATION EFF=65, PRESSURE=550
COMPRESSOR UID=C-1
FEED 2
PRODUCT V=4
OPERATION CALCULATION=ASME, PRES=600, EFF=72
HX UID=HX-1
HOT FEED=4, M=5, DP=5
UTILITY AIR, TIN=80.001, TEMPERATURE=100
CONFIGURE COUNTER
OPER HTEMP=110
FLASH UID=D-2
FEED 5
PRODUCT V=6, L=7
ADIABATIC
END
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
PETRO 10,C6PLUS,,73.0001,210
PHASE VL=10
THERMODYNAMIC DATA
STREAM DATA
5,6.75/6,1.25/7,3/8,0.55/9,1.1/10,0.75
UNIT OPERATIONS
FLASH UID=D-1
FEED INLET_GAS
PRODUCT V=2, L=3
PUMP UID=P-1
FEED 3
PRODUCT M=17
COMPRESSOR UID=C-1
FEED 2
PRODUCT V=4
HX UID=HX-1
CONFIGURE COUNTER
70 Appendix A - Keyword (.INP) Files - English UOM
OPER HTEMP=110
FLASH UID=D-2
FEED 5
PRODUCT V=6, L=7
ADIABATIC
HX UID=HX-2
COLD FEED=10, M=12, DP=5
CONFIGURE COUNTER
OPER HICO=10
HX UID=HX-3
UTILITY REFRIGERANT, COMPONENT=5, TSAT=-22
CONFIGURE COUNTER
OPER HTEMP=-13
FLASH UID=D-3
FEED 9
PRODUCT V=10, L=11
ADIABATIC
VALVE UID=V-1
FEED 11
PRODUCT M=13
OPERATION PRESSURE=245
END
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
PETRO 10,C6PLUS,,73.0001,210
PHASE VL=10
THERMODYNAMIC DATA
STREAM DATA
5,6.75/6,1.25/7,3/8,0.55/9,1.1/10,0.75
PROPERTY STREAM=50, PRESSURE=11.5, PHASE=L, RATE(WT)=36896.4, &
COMPOSITION(M)=4,2.5/5,97/6,0.5
UNIT OPERATIONS
FLASH UID=D-1
FEED INLET_GAS
PRODUCT V=2, L=3
PUMP UID=P-1
FEED 3
PRODUCT M=17
COMPRESSOR UID=C-1
FEED 2
PRODUCT V=4
HX UID=HX-1
CONFIGURE COUNTER
OPER HTEMP=110
FLASH UID=D-2
FEED 5
PRODUCT V=6, L=7
ADIABATIC
HX UID=HX-3
COLD FEED=50, M=51
CONFIGURE COUNTER
OPER CLFRAC=0
CONTROLLER UID=CN1
SPEC STREAM=9, TEMPERATURE(F), VALUE=-15
VARY STREAM=50, RATE
CPARAMETER IPRINT, NOSTOP
FLASH UID=D-3
FEED 9
PRODUCT V=10, L=11
ADIABATIC
HX UID=HX-2
CONFIGURE COUNTER
OPER HICO=10
VALVE UID=V-1
FEED 11
PRODUCT M=13
END
Chiller Plant -Part 4
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
PETRO 10,C6PLUS,,73.0001,210
PHASE VL=10
THERMODYNAMIC DATA
STREAM DATA
5,6.75/6,1.25/7,3/8,0.55/9,1.1/10,0.75
PROPERTY STREAM=50, PRESSURE=11.5, PHASE=L, RATE(WT)=36000, &
COMPOSITION(M)=4,2.5/5,97/6,0.5
UNIT OPERATIONS
FLASH UID=D-1
FEED INLET_GAS
PRODUCT V=2, L=3
COMPRESSOR UID=C-1
FEED 2
PRODUCT V=4
HX UID=HX-1
CONFIGURE COUNTER
OPER HTEMP=110
FLASH UID=D-2
FEED 5
PRODUCT V=6, L=7
ADIABATIC
HX UID=HX-3
COLD FEED=50, M=51
CONFIGURE COUNTER
OPER CLFRAC=0
CONTROLLER UID=CN1
FLASH UID=D-3
FEED 9
PRODUCT V=10, L=11
ADIABATIC
HX UID=HX-2
CONFIGURE COUNTER
OPER HICO=10
VALVE UID=V-1
FEED 11
PRODUCT M=13
COLUMN UID=T-1
PARAMETER TRAY=13,IO
FEED 13,1
PRODUCT OVHD(M)=14, BTMS(M)=15, SUPERSEDE=ON
DUTY 1,13
PSPEC PTOP=200, DPCOLUMN=2.5
PRINT PROPTABLE=PART
ESTIMATE MODEL=CONVENTIONAL, RRATIO=3
SPEC STREAM=15, TVP(PSIG), VALUE=235
DEFINE PRODUCT(LBM/H)=14 AS STREAM=13, RATE(LBM/H), COMP=1,3, &
WET
VARY DUTY=1
REBOILER TYPE=KETTLE
COMPRESSOR UID=C-2
FEED 14
PRODUCT V=16
PUMP UID=P-1
FEED 3,15
PRODUCT M=17
MIXER UID=M-2
FEED 16,12
PRODUCT M=18
MIXER UID=M-1
FEED 7,17
PRODUCT M=19
END
TITLE
DIME ENGLISH, PRES=PSIG, LIQV=GAL
PRINT STREAMS=COMPONENT
COMP DATA
LIBID 1,N2/2,CO2/3,C1/4,C2/5,C3/6,IC4/7,NC4/8,IC5/9,NC5
PETRO 10,C6 PLUS,,73, 210
THERMO DATA
METHODS SYSTEM=PR, TRANSPORT=PETRO
STREAM DATA
PROP STRM=17, TEMP=98.2, PRES=550, RATE=598.20,*
COMP=.009/2.4352/2.1162/141.0459/192.6925/45.3291/115.2106/22.6544/*
45.7673/31.0565
PROP STRM=60, TEMP=100, PRES=600, RATE=666.9,*
COMP=.1/1.8/4/125/220/78/150/10/48/30
NAME 17,NGL LIQUIDS/ 60, ROYAL LIQUIDS
OUTPUT FORMAT=GAS
UNIT OPS
VALVE UID=V-2, NAME=LET DOWN
FEED 17,60
PROD M=20
SHORT UID=T-2S, NAME=DEETHANIZER
FEED 20
PROD STRM=21, PRES=410, RATE=275, PHASE=V
PROD STRM=22,
SPEC STRM=21, COMP=5, FRAC, VALUE=.02
SPEC STRM=22, COMP=4, RATE, DIVIDE, STRM=22, COMP=5, RATE, VALUE=.025
CONDENSER TYPE=PART
EVALUATE MODEL=CONV,MMMIN=2, KEYL=4,KEYH=5
FEED 22
PROD M=23
SHORT UID=T-3S, NAME=DEPROPANIZER
FEED 23
PROD STRM=24, PHASE=L, PRES=240, RATE=400
CONDENSER TYPE=BUBB
PROD STRM=25,
SPEC STRM=24, COMP=6,7, FRAC, VALUE=.02
SPEC STRM=25, COMP=5, FRAC, VALUE=.02
EVALUATE MODEL=CONV, MMMIN=2, KEYL=5, KEYH=6
VALVE UID=V-4, NAME=LETDOWN
FEED 25
PROD M=26
SHORT UID=T-4S, NAME=DEBUTANIZER
FEED 26
PROD STRM=27, PHASE=L, PRES=100, RATE=450
PROD STRM=28,
CONDENSER TYPE=BUBB
EVALUATE MMMIN=2, MODEL=CONV, KEYL=7, KEYH=8
SPEC STRM=27, COMP=8, FRAC(V), VALUE=.0025
SPEC STRM=28, COMP=7, FRAC(V), VALUE=.01
CALCULATOR UID=CAL1, NAME=RVP CALC
RESULT 1,STRM 28 RVP
DEFINE P(1) AS STRM=28, RVP
PROCEDURE
R(1)=P(1)
RETURN
END
TITLE
PRINT STREAM=COMPONENT
DIMENSION ENGLISH, PRES=PSIG, LIQVOL=GAL
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,N2/2,CO2/3,C1/4,C2/5,C3/6,IC4/7,NC4/8,IC5/9,NC5
PETRO 10,C6PLUS,,73.0001,210
THERMODYNAMIC DATA
METHOD SYSTEM=PR, TRANSPORT=PETR, SET=PR01
STREAM DATA
PROPERTY STREAM=17, TEMPERATURE=98.2, PRESSURE=550, PHASE=M, &
COMPOSITION(M,LBM/H)=1,0.009/2,2.4352/3,2.1162/4,141.046/ &
5,192.693/6,45.3291/7,115.211/8,22.6544/9,45.7673/10,31.0565
PROPERTY STREAM=60, TEMPERATURE=100, PRESSURE=600, PHASE=M, &
COMPOSITION(M,LBM/H)=1,0.1/2,1.8/3,4/4,125/5,220/6,78/7,150/ &
8,10/9,48/10,30
NAME 17,NGL LIQUIDS/60,ROYAL LIQUIDS
UNIT OPERATIONS
COLUMN UID=T-2, NAME=Deethanizer
PARAMETER TRAY=24,IO=15
FEED 20,13
PRODUCT OVHD(M)=S21,271.74, BTMS(M)=S22, SUPERSEDE=ON
CONDENSER TYPE=PART, PRESSURE=410
DUTY 1,1,-2.61699/2,24,8.81295
PSPEC PTOP=415, DPCOLUMN=5
ESTIMATE MODEL=CONVENTIONAL, RRATIO=2.674
SPEC STREAM=S21,FRACTION, COMP=5,WET, VALUE=0.02
SPEC STREAM=S22, RATE(LBM/H), COMP=4,WET, DIVIDE, STREAM=S22, &
RATE(LBM/H), COMP=5,WET, VALUE=0.025
VARY DUTY=1,2
TSIZE SECTION(1)=2,23,VALVE, DMIN=15
COLUMN UID=T-3, NAME=Depropanizer
FEED S23,11
PRODUCT OVHD(M)=S24,414.1, BTMS(M)=S25, SUPERSEDE=ON
CONDENSER TYPE=TFIX, PRESSURE=240, TEMPERATURE=110
DUTY 1,1,-8.89596/2,23,7.34597
ESTIMATE MODEL=CONVENTIONAL, RRATIO=2.943
SPEC STREAM=S24,FRACTION, COMP=6,7,WET, VALUE=0.02
SPEC STREAM=S25,FRACTION, COMP=5,WET, VALUE=0.02
VARY DUTY=1,2
COLUMN UID=T-4, NAME=Debutanizer
FEED S26,16
PRODUCT OVHD(M)=S27,390, BTMS(M)=S28, SUPERSEDE=ON
CONDENSER TYPE=TFIX, PRESSURE=100, TEMPERATURE=110, TEST=110
DUTY 1,1,-8.56796/2,30,7.04198
ESTIMATE MODEL=CONVENTIONAL, RRATIO=1.834, CTEMP=110
SPEC STREAM=S27,FRACTION(LV), COMP=8,WET, VALUE=0.0025
SPEC STREAM=S28,FRACTION(LV), COMP=7,WET, VALUE=0.01
VARY DUTY=1,2
FEED 17,60
PRODUCT M=20
VALVE UID=V-3
FEED S22
PRODUCT M=S23
VALVE UID=V-4
FEED S25
PRODUCT M=S26
END
Gas Cooling
Process with Recycle Stream
TITLE
PRINT INPUT=NONE
DIMENSION ENGLISH, XDENSITY=SPGR
SEQUENCE PROCESS
COMPONENT DATA
LIBID 1,CO2/2,C1/3,C2/4,C3/5,IC4/6,NC4/7,IC5/8,NC5/9,NC6
THERMODYNAMIC DATA
METHOD SYSTEM=PR, SET=PR01
STREAM DATA
RATE(M)=1000, COMPOSITION(M)=1,1.39/2,85.92/3,7.73/4,2.45/ &
5,0.36/6,0.56/7,0.21/8,0.26/9,1.12
UNIT OPERATIONS
VALVE UID=V1
FEED 1
PRODUCT M=2
OPERATION DP=1600
HX UID=E1
CONFIGURE COUNTER
OPER HICO=15
VALVE UID=V2
FEED 3
PRODUCT M=4
OPERATION DP=900
HX UID=E2
HOT FEED=4, M=5X, DP=5
OPER HTEMP=-20
FLASH UID=F1
FEED 5X
PRODUCT V=6, L=7
ADIABATIC DP=0
END
Process with Broken Recycle
TITLE
PRINT INPUT=NONE
SEQUENCE PROCESS
COMPONENT DATA
THERMODYNAMIC DATA
STREAM DATA
5,0.36/6,0.56/7,0.21/8,0.26/9,1.12
PROPERTY STREAM=5, TEMPERATURE=-20, PRESSURE=1090, REFSTREAM=1
UNIT OPERATIONS
VALVE UID=V1
FEED 1
PRODUCT M=2
OPERATION DP=1600
FLASH UID=F1
FEED 5
PRODUCT V=6, L=7
ADIABATIC DP=0
HX UID=E1
CONFIGURE COUNTER
OPER HICO=15
VALVE UID=V2
FEED 3
PRODUCT M=4
OPERATION DP=900
HX UID=E2
OPER HTEMP=-20
END
MEK/Toluene Preheat
TITLE
SEQUENCE PROCESS
COMPONENT DATA
LIBID 1,MEK/2,TOLUENE/3,WATER
THERMODYNAMIC DATA
METHOD SYSTEM=NRTL, ENTHALPY(V)=SRKM, DENSITY(V)=SRKM, SET=NRTL01, &
DEFAULT
STREAM DATA
PROPERTY STREAM=FEED, TEMPERATURE=190, PRESSURE=20, PHASE=M, &
RATE(M)=100, COMPOSITION(M)=1,19/2,80/3,1
UNIT OPERATIONS
FLASH UID=FD
FEED FEED
PRODUCT V=VAPOR, L=S1
TPSPEC DP=1
SPEC STREAM=VAPOR, RATE(LBM/H),TOTAL,WET, DIVIDE, REFFEED, &
RATE(LBM/H),WET, VALUE=0.4
HX UID=HX
COLD FEED=S1, L=PROD, DP=1
DEFINE DUTY(BTU/HR) AS 1, MINUS, FLASH=FD, DUTY(BTU/HR)
END
Hydrocarbon-Water Phase Separation
TITLE
DIMENSION ENGLISH, LIQVOL=BBL
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,WATER/2,CO2/3,N2/4,C1/5,C2/6,C3/7,IC4/8,NC4/9,IC5/10,NC5
PETRO 11,CUT11,91,63.9999,180/12,CUT12,100,61,210/ &
13,CUT13,120,55,280/14,CUT14,150,47.9999,370/ &
15,CUT15,200,40.0001,495
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK1
WATER SOLUBILITY=SIMSCI
WATER SOLUBILITY=KEROSENE
WATER SOLUBILITY=EOS
METHOD SYSTEM(VLLE)=SRKK, SET=SRKK
STREAM DATA
PROPERTY STREAM=CRUDE, TEMPERATURE=150, PRESSURE=1000, PHASE=M, &
COMPOSITION(M,LBM/H)=1,3000/2,35/3,30/4,890/5,300/6,520/ &
7,105/8,283/9,100/10,133/11,165/12,303/13,560/14,930/15,300
PROPERTY STREAM=CRUDE_R1, REFSTREAM=CRUDE
UNIT OPERATIONS
FLASH UID=DCNT-SIMSCI, KPRINT
FEED CRUDE
PRODUCT V=1V, L=1L, W=1W
ISO TEMPERATURE=300, PRESSURE=300
METHOD SET=SRK1
FLASH UID=DECANT-EOS
FEED CRUDE_R1
METHOD SET=SRK3
FLASH UID=DECANT-KERO
FEED CRUDE_R2
METHOD SET=SRK2
FLASH UID=RIG-SRKKD, KPRINT
FEED CRUDE_R3
METHOD SET=SRKK
END
TITLE
DIMENSION ENGLISH, PRES=ATM
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,IBUTANE/2,BUTANE/3,IPENTANE/4,PENTANE
ASSAY TBPIP=3
CUTPOINTS TBPCUTS=80.0006,460,21/1200,8/1600,4
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
STREAM DATA
PROPERTY STREAM=NAPHTHA_FEED, TEMPERATURE=100, PRESSURE=1, PHASE=M, &
RATE(WT)=1000, ASSAY=LV
D86 STREAM=NAPHTHA_FEED, DATA=3,90/5,125/10,195/30,250/50,280/ &
70,310/90,390/95,418/98,430, TEMP=F
API STREAM=NAPHTHA_FEED, AVERAGE=54.2
LIGHTEND STREAM=NAPHTHA_FEED, COMPOSITION(M)=1,0.7/2,2.15/3,0.86/ &
4,3.58, PERCENT(LV)=5, NORMALIZE
UNIT OPERATIONS
$ *** NO UNITS ***
END
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
ASSAY TBPIP=3
THERMODYNAMIC DATA
STREAM DATA
70,310/90,390/95,418/98,430, TEMP=F
UNIT OPERATIONS
FLASH UID=F1
FEED NAPHTHA_FEED
PRODUCT V=F1VAPOR, L=F1LIQUID
TPSPEC PRESSURE=0.8
SPEC STREAM=F1VAPOR, RATE(LBM/H),TOTAL,WET, DIVIDE, &
STREAM=NAPHTHA_FEED, RATE(LBM/H),TOTAL,WET, &
VALUE=0.8
FLASH UID=F2
FEED F1VAPOR
ISO DP=0.1
DEFINE TEMP(F) AS STREAM=F1VAPOR, TEMPERATURE(F), MINUS,18
END
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
ASSAY TBPIP=3
THERMODYNAMIC DATA
STREAM DATA
70,310/90,390/95,418/98,430, TEMP=F
UNIT OPERATIONS
FLASH UID=F1
FEED NAPHTHA_FEED
TPSPEC PRESSURE=0.8
VALUE=0.8
FLASH UID=F2
FEED F1VAPOR
ISO DP=0.1
CASESTUDY OLDCASE=BASECASE, NEWCASE=CS1
PARAMETER ID=F1SPLIT, FLASH=F1, SPEC(1),STEP(ACT)=-0.1, CYCLES =1,5
RESULT ID=F2DUTY, FLASH=F2, DUTY(BTU/HR)
END
Phase Envelope
TITLE
SEQUENCE PROCESS
COMPONENT DATA
LIBID 1,C1/2,C2/3,C3/4,IC4/5,NC4/6,IC5
THERMODYNAMIC DATA
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=150, PRESSURE=2500, PHASE=M, &
RATE(M)=100, COMPOSITION(M)=1,82/2,7/3,4/4,2/5,2/6,3
UNIT OPERATIONS
PHASE UID=PH1
EVAL STREAM=S1, LFRAC=0, IPLOT=OFF, CPLOT=1
EVAL STREAM=S1, LFRAC=0.05,IPLOT=OFF, CPLOT=2
EVAL STREAM=S1, LFRAC=1,IPLOT=OFF, CPLOT=5
END
Compressor Curves
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,C2/2,C3/3,IC4/4,NC4
THERMODYNAMIC DATA
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=15.499, PRESSURE=315, PHASE=M, &
RATE(M)=16500, COMPOSITION(M)=1,1.04/2,96.94/3,1.68/4,0.34
UNIT OPERATIONS
VALVE UID=V1
FEED S1
PRODUCT M=S2
HX UID=E1
HOT FEED=S2, V=S4, L=S5, DP=4.4
OPER DUTY=2
HX UID=E2
HOT FEED=S5, M=S6, DP=8.8
OPER HDTADEW=1E-15
MIXER UID=M1
FEED S4,S6
PRODUCT M=S7
COMPRESSOR UID=C1
FEED S7
PRODUCT V=S8
HEAD ACTUAL=900001,38000/1E6,37000/1.24E6,35299.9/ &
1.36E6,33100.1/1.43E6,27250
EFFICIENCY ADIA=900001,69/1E6,71/1.24E6,72/1.36E6,73/1.43E6,71
OPERATION CALCULATION=ASME
END
Debutanizer
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,H2/2,H2S/3,C1/4,C2/5,C3/6,IC4/7,NC4/8,IC5/9,NC5
THERMODYNAMIC DATA
STREAM DATA
PROPERTY STREAM=LPG, TEMPERATURE=104, PRESSURE=270, PHASE=M, &
RATE(LV)=400, COMPOSITION(M)=1,0.3/2,0.2/3,0.7/4,5.5/5,28.5/ &
6,11.7/7,49/8,4.1
PROPERTY STREAM=NAPHTHA, TEMPERATURE=104, PRESSURE=270, PHASE=M, &
RATE(LV)=3200, ASSAY=LV
D86 STREAM=NAPHTHA, DATA=0,104/5,144/10,158/30,196/50,228/70,248/ &
90,284/95,311/100,329, TEMP=F
SPGR STREAM=NAPHTHA, AVERAGE=0.75
LIGHTEND STREAM=NAPHTHA, COMPOSITION(LV)=5,0.07/6,0.21/7,0.42/ &
8,3.24/9,6.06, PERCENT(LV)=10, NORMALIZE
UNIT OPERATIONS
FLASH UID=F1
FEED LPG,NAPHTHA
PRODUCT L=CFEED
COLUMN UID=DEBU
FEED CFEED,15
PRODUCT OVHD(M)=OVHD, BTMS(M)=BTMS, SUPERSEDE=ON
CONDENSER TYPE=BUBB, PRESSURE=185
DUTY 1,1/2,32
PSPEC PTOP=190, DPCOLUMN=4.3
SPEC STREAM=OVHD, RATE(LBM/H), COMP=6,7,WET, DIVIDE, &
STREAM=CFEED, RATE(LBM/H), COMP=6,7,WET, VALUE=0.995
DEFINE PRODUCT(LBM/H)=OVHD AS STREAM=CFEED, RATE(LBM/H), &
COMP=1,7,WET
VARY DUTY=1,2
END
Rigorous Heat Exchanger
Part A
TITLE
DESCRIPTION
PRINT INPUT=NONE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,NC4/2,IC5/3,NC5/4,NC6/5,NC7/6,NC8
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, TRANSPORT=PETR, SET=SRK01, DEFAULT
STREAM DATA
PROPERTY STREAM=FD1, TEMPERATURE=70, PRESSURE=180, PHASE=M, &
RATE(WT)=550000, COMPOSITION(M)=1,15/2,14/3,16/4,22/5,13/ &
6,20
PROPERTY STREAM=BT1, TEMPERATURE=220, PRESSURE=120, PHASE=M, &
RATE(WT)=500000, COMPOSITION(M)=1,4/2,15/3,16/4,25/5,15/6,25
UNIT OPERATIONS
HXRIG UID=E1
TYPE TEMA=AES, ORIENTATION=HORI, FLOW=COUN, AREA=2295
TUBES FEED=FD1, M=FD2, BWG=14, NUMBER=600, PATTERN=60, &
PITCH=1.25, FOUL=0
SHELL FEED=BT1, M=BT2, ID=36
BAFFLE CUT=0.3, SPACING=24, INSPACING=24, OUTSPACING=24
SNOZZLE TYPE=CONV, ID=8,8
TNOZZLE ID=8,8
PRINT EXTENDED
OPERATION STEMP=162
END
Part B
TITLE
PRINT INPUT=NONE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,NC4/2,IC5/3,NC5/4,NC6/5,NC7/6,NC8
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, TRANSPORT=PETR, SET=SRK01, DEFAULT
STREAM DATA
PROPERTY STREAM=FD1, TEMPERATURE=70, PRESSURE=180, PHASE=M, &
RATE(WT)=600000, COMPOSITION(M)=1,15/2,14/3,16/4,22/5,13/ &
6,20
PROPERTY STREAM=BT1, TEMPERATURE=220, PRESSURE=120, PHASE=M, &
RATE(WT)=650000, COMPOSITION(M)=1,4/2,15/3,16/4,25/5,15/6,25
UNIT OPERATIONS
HXRIG UID=E1
TYPE TEMA=AES, ORIENTATION=HORI, FLOW=COUN, AREA=2295
TUBES FEED=FD1, M=FD2, BWG=14, NUMBER=600, PATTERN=60, &
PITCH=1.25, FOUL=0
SHELL FEED=BT1, M=BT2, FOUL=0.00393, ID=36
BAFFLE CUT=0.3, SPACING=24, INSPACING=24, OUTSPACING=24
SNOZZLE TYPE=CONV, ID=8,8
TNOZZLE ID=8,8
PRINT EXTENDED
END
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,N2/2,CO2/3,C1/4,C2/5,C3/6,IC4/7,NC4/8,IC5/9,NC5/10,NC6/ &
11,NC9
THERMODYNAMIC DATA
METHOD SYSTEM=PR, DENSITY(L)=COST, SET=PR01, DEFAULT
STREAM DATA
COMPOSITION(M,LBM/H)=1,400/2,4230/3,32000/4,20000/5,16000/ &
6,1700/7,6200/8,2100/9,3600/10,3400/11,7000
UNIT OPERATIONS
FLASH UID=D-1
FEED S1,S7
PRODUCT V=S2, L=S3
ADIABATIC
COMPRESSOR UID=C-1
FEED S2
PRODUCT V=S4
HX UID=HX-1
HOT FEED=S4, M=S5, DP=5
OPER HTEMP=135
FLASH UID=D-2
FEED S5,S11
PRODUCT V=S6, L=S7
ADIABATIC
COMPRESSOR UID=C-2
FEED S6
PRODUCT V=S8
HX UID=HX-2
OPER HTEMP=135
FLASH UID=D-3
FEED S9
PRODUCT V=S10, L=S11
ADIABATIC
END
TITLE
DIMENSION ENGLISH, STDTEMP=60.0008, STDPRES=14.6959
SEQUENCE SIMSCI
CALCULATION RVPBASIS=APIN, TVP=100
COMPONENT DATA
LIBID 1,CL2/2,C3H6/3,C3H5CL/4,HCL/5,C3H6CL2/6,C3H4CL2
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, DENSITY(L)=COST, SET=SRK01, DEFAULT
STREAM DATA
RATE(M)=220, COMPOSITION(M)=2,1
RXDATA
RXSET ID=1
REACTION ID=1
STOICHIOMETRY 1,-1/2,-1/3,1/4,1
KINETICS PEXP=3.36E12, ACTIVATION=27.01, TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=2
STOICHIOMETRY 1,-1/2,-1/5,1
KPHASE DEFAULT=V
REACTION ID=3
KPHASE DEFAULT=V
UNIT OPERATIONS
CSTR UID=R1
FEED S1,S2
PRODUCT M=S3
OPERATION VOLUME=10, PRESSURE=70, TEMPERATURE=800
FESTIMATE 1,2.5
RXSTOIC RXSET=1
REACTION 1
REACTION 2
REACTION 3
END
Appendix B - Keyword (.INP) Files - Metric UOM
TITLE
DIMENSION SI, TEMP=C, XDENSITY=SPGR, STDTEMP=0, STDPRES=101.325
SEQUENCE SIMSCI
CALCULATION RVPBASIS=APIN, TVP=37.778
COMPONENT DATA
PETRO 10,C6PLUS,,0.691931,98.889
PHASE VL=10
THERMODYNAMIC DATA
STREAM DATA
PROPERTY STREAM=INLET_GAS, TEMPERATURE=48.889, PRESSURE=1413.4, &
PHASE=M, RATE(GV)=47194.9, COMPOSITION(M)=1,1/2,1.6/3,72.5/ &
4,11.5/5,6.75/6,1.25/7,3/8,0.55/9,1.1/10,0.75
UNIT OPERATIONS
FLASH UID=D-1
FEED INLET_GAS
PRODUCT V=2, L=3
PUMP UID=P-1
FEED 3
PRODUCT M=17
OPERATION EFF=65, PRESSURE=3893.4
COMPRESSOR UID=C-1
FEED 2
PRODUCT V=4
OPERATION CALCULATION=ASME, PRES=4238.2, EFF=72
HX UID=HX-1
HOT FEED=4, M=5, DP=34.474
UTILITY AIR, TIN=26.667, TEMPERATURE=37.778
CONFIGURE COUNTER
OPER HTEMP=43.333
FLASH UID=D-2
FEED 5
PRODUCT V=6, L=7
ADIABATIC
END
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
PETRO 10,C6PLUS,,0.691931,98.889
PHASE VL=10
THERMODYNAMIC DATA
STREAM DATA
4,11.5/5,6.75/6,1.25/7,3/8,0.55/9,1.1/10,0.75
UNIT OPERATIONS
COMPRESSOR UID=C-1
FEED 2
PRODUCT V=4
FLASH UID=D-1
FEED INLET_GAS
PRODUCT V=2, L=3
FLASH UID=D-2
FEED 5
PRODUCT V=6, L=7
ADIABATIC
FLASH UID=D-3
FEED 9
82 Appendix B - Keyword (.INP) Files - Metric UOM
PRODUCT V=10, L=11
ADIABATIC
HX UID=HX-1
HOT FEED=4, M=5, DP=34.474
CONFIGURE COUNTER
OPER HTEMP=43.333
HX UID=HX-2
HOT FEED=6, M=8, DP=34.474
COLD FEED=10, M=12, DP=34.474
CONFIGURE COUNTER
OPER HICO=5.5556
HX UID=HX-3
HOT FEED=8, M=9, DP=34.474
UTILITY REFRIGERANT, COMPONENT=5, TSAT=-30
CONFIGURE COUNTER
OPER HTEMP=-25
PUMP UID=P-1
FEED 3
PRODUCT M=17
VALVE UID=V-1
FEED 11
PRODUCT M=13
OPERATION PRESSURE=1790.5
END
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
PETRO 10,C6PLUS,,0.691931,98.889
PHASE VL=10
THERMODYNAMIC DATA
STREAM DATA
4,11.5/5,6.75/6,1.25/7,3/8,0.55/9,1.1/10,0.75
COMPOSITION(M)=4,2.5/5,97/6,0.5
UNIT OPERATIONS
COMPRESSOR UID=C-1
FEED 2
PRODUCT V=4
CONTROLLER UID=CN1
FLASH UID=D-1
FEED INLET_GAS
PRODUCT V=2, L=3
FLASH UID=D-2
FEED 5
PRODUCT V=6, L=7
ADIABATIC
FLASH UID=D-3
FEED 9
PRODUCT V=10, L=11
ADIABATIC
HX UID=HX-1
HOT FEED=4, M=5, DP=34.474
CONFIGURE COUNTER
OPER HTEMP=43.333
HX UID=HX-2
HOT FEED=6, M=8, DP=34.474
COLD FEED=10, M=12, DP=34.474
CONFIGURE COUNTER
OPER HICO=5.5556
HX UID=HX-3
HOT FEED=8, M=9, DP=34.474
COLD FEED=50, M=51
CONFIGURE COUNTER
OPER CLFRAC=0
PUMP UID=P-1
FEED 3
PRODUCT M=17
VALVE UID=V-1
FEED 11
PRODUCT M=13
END
Chiller Plant -Part 4
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
PETRO 10,C6PLUS,,0.691931,98.889
PHASE VL=10
THERMODYNAMIC DATA
STREAM DATA
4,11.5/5,6.75/6,1.25/7,3/8,0.55/9,1.1/10,0.75
COMPOSITION(M)=4,2.5/5,97/6,0.5
UNIT OPERATIONS
COLUMN UID=T-1
FEED 13,1
PRODUCT OVHD(M)=14, BTMS(M)=15, SUPERSEDE=ON
DUTY 1,13
PSPEC PTOP=1480.3, DPCOLUMN=17.237
SPEC STREAM=15, TVP(PSIG), VALUE=235
DEFINE PRODUCT(LBM/H)=14 AS STREAM=13, RATE(LBM/H), COMP=1,3, &
WET
VARY DUTY=1
COMPRESSOR UID=C-1
FEED 2
PRODUCT V=4
COMPRESSOR UID=C-2
FEED 14
PRODUCT V=16
CONTROLLER UID=CN1
FLASH UID=D-1
FEED INLET_GAS
PRODUCT V=2, L=3
FLASH UID=D-2
FEED 5
PRODUCT V=6, L=7
ADIABATIC
FLASH UID=D-3
FEED 9
PRODUCT V=10, L=11
ADIABATIC
HX UID=HX-1
HOT FEED=4, M=5, DP=34.474
CONFIGURE COUNTER
OPER HTEMP=43.333
HX UID=HX-2
HOT FEED=6, M=8, DP=34.474
COLD FEED=10, M=12, DP=34.474
CONFIGURE COUNTER
OPER HICO=5.5556
HX UID=HX-3
HOT FEED=8, M=9, DP=34.474
COLD FEED=50, M=51
CONFIGURE COUNTER
OPER CLFRAC=0
MIXER UID=M-1
FEED 7,17
PRODUCT M=19
MIXER UID=M-2
FEED 16,12
PRODUCT M=18
PUMP UID=P-1
FEED 3,15
PRODUCT M=17
VALVE UID=V-1
FEED 11
PRODUCT M=13
END
Gas Cooling
Process with Recycle Stream
TITLE
PRINT INPUT=NONE
SEQUENCE PROCESS
COMPONENT DATA
THERMODYNAMIC DATA
STREAM DATA
5,0.36/6,0.56/7,0.21/8,0.26/9,1.12
UNIT OPERATIONS
VALVE UID=V1
FEED 1
PRODUCT M=2
OPERATION DP=11030
HX UID=E1
CONFIGURE COUNTER
OPER HICO=8
VALVE UID=V2
FEED 3
PRODUCT M=4
OPERATION DP=6205
HX UID=E2
OPER HTEMP=-29
FLASH UID=F1
FEED 5X
PRODUCT V=6, L=7
ADIABATIC DP=0
END
Process with Broken Recycle
TITLE
PRINT INPUT=NONE
$
$ Warning. Sequence switched to SimSci because insufficient
$ information was available to write the Alternate sequence.
$
SEQUENCE SIMSCI
COMPONENT DATA
THERMODYNAMIC DATA
STREAM DATA
5,0.36/6,0.56/7,0.21/8,0.26/9,1.12
PROPERTY STREAM=5, TEMPERATURE=-29, PRESSURE=7515, REFSTREAM=1
UNIT OPERATIONS
FLASH UID=F1
FEED 5
PRODUCT V=6, L=7
ADIABATIC DP=0
HX UID=E1
CONFIGURE COUNTER
OPER HICO=8
HX UID=E2
OPER HTEMP=-29
VALVE UID=V1
FEED 1
PRODUCT M=2
OPERATION DP=11030
VALVE UID=V2
FEED 3
PRODUCT M=4
OPERATION DP=6205
END
MEK/Toluene Preheat
TITLE
SEQUENCE PROCESS
COMPONENT DATA
LIBID 1,MEK/2,TOLUENE/3,WATER
THERMODYNAMIC DATA
METHOD SYSTEM=NRTL, ENTHALPY(V)=SRKM, DENSITY(V)=SRKM, SET=NRTL01, &
DEFAULT
STREAM DATA
PROPERTY STREAM=FEED, TEMPERATURE=88, PRESSURE=138, PHASE=M, &
RATE(M)=45, COMPOSITION(M)=1,19/2,80/3,1
UNIT OPERATIONS
FLASH UID=FD
FEED FEED
PRODUCT V=VAPOR, L=S1
TPSPEC DP=7
SPEC STREAM=VAPOR, RATE(LBM/H),TOTAL,WET, DIVIDE, REFFEED, &
RATE(LBM/H),WET, VALUE=0.4
HX UID=HX
COLD FEED=S1, L=PROD, DP=7
DEFINE DUTY(KJ/HR) AS 1.05, MINUS, FLASH=FD, DUTY(KJ/HR)
END
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
ASSAY TBPIP=3
CUTPOINTS TBPCUTS=26.667,237.778,21/648.889,8/871.11,4
THERMODYNAMIC DATA
STREAM DATA
PROPERTY STREAM=NAPHTHA_FEED, TEMPERATURE=37.778, PRESSURE=101.32, &
PHASE=M, RATE(WT)=453.593, ASSAY=LV
70,310/90,390/95,418/98,430, TEMP=F
TITLE
DIMENSION SI, TEMP=C, PRES=ATM, XDENSITY=SPGR, STDTEMP=0, STDPRES=1
SEQUENCE SIMSCI
COMPONENT DATA
ASSAY TBPIP=3
THERMODYNAMIC DATA
STREAM DATA
70,310/90,390/95,418/98,430, TEMP=F
SPGR STREAM=NAPHTHA_FEED, AVERAGE=0.762
UNIT OPERATIONS
FLASH UID=F1
FEED NAPHTHA_FEED
TPSPEC PRESSURE=0.8
VALUE=0.8
FLASH UID=F2
FEED F1VAPOR
ISO DP=0.1
END
TITLE
DIMENSION SI, TEMP=C, PRES=ATM, XDENSITY=SPGR, STDTEMP=0, STDPRES=1
SEQUENCE SIMSCI
COMPONENT DATA
ASSAY TBPIP=3
THERMODYNAMIC DATA
STREAM DATA
70,310/90,390/95,418/98,430, TEMP=F
SPGR STREAM=NAPHTHA_FEED, AVERAGE=0.762
UNIT OPERATIONS
FLASH UID=F1
FEED NAPHTHA_FEED
TPSPEC PRESSURE=0.8
VALUE=0.8
FLASH UID=F2
FEED F1VAPOR
ISO DP=0.1
CASESTUDY OLDCASE=BASECASE, NEWCASE=CS1
PARAMETER ID=F1SPLIT, FLASH=F1, SPEC(1),STEP(ACT)=-0.1, CYCLES =1,5
RESULT ID=F2DUTY, FLASH=F2, DUTY(KJ/HR)
END
Phase Envelope
TITLE PROJECT=TRAINING, PROBLEM=RETROGRADE C,
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,C1/2,C2/3,C3/4,IC4/5,NC4/6,IC5
THERMODYNAMIC DATA
STREAM DATA
RATE(M)=45, COMPOSITION(M)=1,82/2,7/3,4/4,2/5,2/6,3
UNIT OPERATIONS
PHASE UID=PH1
EVAL STREAM=S1, LFRAC=0, IPLOT=OFF, CPLOT=1
EVAL STREAM=S1, LFRAC=1,IPLOT=OFF, CPLOT=5
END
Compressor Curves
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,C2/2,C3/3,IC4/4,NC4
THERMODYNAMIC DATA
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=-9.2, PRESSURE=2172, PHASE=M, &
RATE(M)=7485.01, COMPOSITION(M)=1,1.04/2,96.94/3,1.68/4,0.34
UNIT OPERATIONS
VALVE UID=V1
FEED S1
PRODUCT M=S2
HX UID=E1
HOT FEED=S2, L=S5, V=S4, DP=30
OPER DUTY=2.11
HX UID=E2
OPER HDTADEW=5.5556E-16
MIXER UID=M1
FEED S4,S6
PRODUCT M=S7
COMPRESSOR UID=C1
FEED S7
PRODUCT V=S8
HEAD ACTUAL=25485,11582/28317,11278/35113,10760/ &
38511,10089/40493,8306
EFFICIENCY ADIA=25485,69/283179,71/35113,72/38511,73/ &
40493,71
OPERATION CALCULATION=ASME
END
Debutanizer
TITLE
DIMENSION SI, TEMP=C, STDTEMP=0, STDPRES=101.325
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,H2/2,H2S/3,C1/4,C2/5,C3/6,IC4/7,NC4/8,IC5/9,NC5
THERMODYNAMIC DATA
STREAM DATA
PROPERTY STREAM=LPG, TEMPERATURE=40, PRESSURE=1860, PHASE=M, &
RATE(LV)=11.3, COMPOSITION(M)=1,0.3/2,0.2/3,0.7/4,5.5/5,28.5/ &
6,11.7/7,49/8,4.1
PROPERTY STREAM=NAPHTHA, TEMPERATURE=40, PRESSURE=1860, PHASE=M, &
RATE(LV)=90, ASSAY=LV
D86 STREAM=NAPHTHA, DATA=0,40/5,62/10,70/30,91/50,109/70,120/ &
90,140/95,155/100,165, TEMP=C
SPGR STREAM=NAPHTHA, AVERAGE=0.75
LIGHTEND STREAM=NAPHTHA, COMPOSITION(LV)=5,0.07/6,0.21/7,0.42/ &
8,3.24/9,6.06, PERCENT(LV)=10, NORMALIZE
UNIT OPERATIONS
FLASH UID=F1
FEED LPG,NAPHTHA
PRODUCT L=CFEED
COLUMN UID=DEBU
FEED CFEED,15
PRODUCT OVHD(M)=OVHD, BTMS(M)=BTMS, SUPERSEDE=ON
CONDENSER TYPE=BUBB, PRESSURE=1275
DUTY 1,1/2,32
DEFINE PRODUCT(LBM/H)=OVHD AS STREAM=CFEED, RATE(LBM/H), &
COMP=1,7,WET
VARY DUTY=1,2
END
TITLE
PRINT STREAM=ALL, RATE=M, FRACTION=M
DIMENSION SI, TEMP=C, PRES=BAR, STDTEMP=0, STDPRES=1.01325
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,NITROGEN/2,CO2/3,METHANE/4,ETHANE/5,PROPANE/6,IBUTANE/ &
7,NBUTANE/8,IPENTANE/9,PENTANE/10,HEXANE/11,NC9
THERMODYNAMIC DATA
METHOD SYSTEM=PR, DENSITY(L)=COST, SET=PR01, DEFAULT
STREAM DATA
COMPOSITION(M,KGM/H)=1,180/2,1920/3,14520/4,9070/5,7260/6,770/ &
7,2810/8,950/9,1630/10,1540/11,3180
NAME S1,Feed/S3,Liquid Product/S5,HX-1 Outlet/S9,HX-2 Outlet/ &
S10,Vapor Product
UNIT OPERATIONS
COMPRESSOR UID=C-1
FEED S2
PRODUCT V=S4
COMPRESSOR UID=C-2
FEED S6
PRODUCT V=S8
FLASH UID=D-1
FEED S1,S7
PRODUCT V=S2, L=S3
ADIABATIC
FLASH UID=D-2
FEED S5,S11
PRODUCT V=S6, L=S7
ADIABATIC
FLASH UID=D-3
FEED S9
PRODUCT V=S10, L=S11
ADIABATIC
HX UID=HX-1
OPER HTEMP=60
HX UID=HX-2
OPER HTEMP=60
END
TITLE
DIMENSION METRIC, STDTEMP=0, STDPRES=1.03323
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,CL2/2,C3H6/3,C3H5CL/4,HCL/5,C3H6CL2/6,C3H4CL2
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, DENSITY(L)=COST, SET=SRK01, DEFAULT
STREAM DATA
RXDATA
RXSET ID=1
REACTION ID=1
KPHASE DEFAULT=V
REACTION ID=2
STOICHIOMETRY 1,-1/2,-1/5,1
KPHASE DEFAULT=V
REACTION ID=3
KPHASE DEFAULT=V
UNIT OPERATIONS
CSTR UID=R1
FEED S1,S2
PRODUCT M=S3
OPERATION VOLUME=0.3, PRESSURE=5, TEMPERATURE=425
FESTIMATE 1,1.15
RXSTOIC RXSET=1
REACTION 1
REACTION 2
REACTION 3
END

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Reaction Order & Activity Phase...

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