User Guide of PRO II 9.3

SimSci ®

PRO/II® 9.3 User Guide

May 2014

All rights reserved. No part of this documentation shall be reproduced, stored in a retrieval system, or transmitted by any means, electronic, mechanical, photocopying, recording, or otherwise, without the prior written permission of Invensys Systems, Inc. No copyright or patent liability is assumed with respect to the use of the information contained herein. Although every precaution has been taken in the preparation of this documentation, the publisher and the author assume no responsibility for errors or omissions. Neither is any liability assumed for damages resulting from the use of the information contained herein. The information in this documentation is subject to change without notice and does not represent a commitment on the part of Invensys Systems, Inc. The software described in this documentation is furnished under a license or nondisclosure agreement. This software may be used or copied only in accordance with the terms of these agreements. © 2014 by Invensys Systems, Inc. All rights reserved. Invensys Systems, Inc. 26561 Rancho Parkway South Lake Forest, CA 92630 U.S.A. (949) 727-3200 http://www.simsci.com/ For comments or suggestions about the product documentation, send an e-mail message to [email protected]. All terms mentioned in this documentation that are known to be trademarks or service marks have been appropriately capitalized. Invensys Systems, Inc. cannot attest to the accuracy of this information. Use of a term in this documentation should not be regarded as affecting the validity of any trademark or service mark. Invensys, Invensys logo, PRO/II, and SimSci are trademarks of Invensys plc, its subsidiaries and affiliates.

Table of Contents Chapter 1 Using PRO/II ........................................................................................ 1 Before Starting PRO/II ..................................................................................... 1 Starting PRO/II.................................................................................................. 1 PRO/II Main Window Components ................................................................. 3 Using the Menus .............................................................................................. 6 Using the PFD Floating Palette ...................................................................... 9 Using the PFD Palette Button ....................................................................... 10 Using the Toolbars ........................................................................................ 10 Using the Customize Icon Pallette .............................................................. 11 Using the PRO/II Main Window..................................................................... 19 Chapter 2 Simulation Basics............................................................................ 21 General Approach .......................................................................................... 21 Run the Process Simulation ........................................................................ 22 Analyze the Simulation Results ................................................................... 23 Building the Flowsheet ................................................................................. 23 Unit Operations ............................................................................................ 23 Streams ....................................................................................................... 23 Required Data................................................................................................. 23 Components ................................................................................................ 23 Thermodynamic Methods ............................................................................ 24 Stream Information ...................................................................................... 24 Unit Operations ............................................................................................ 24 Optional Data.................................................................................................. 25 Miscellaneous Data ..................................................................................... 25 Miscellaneous Calculation Options ............................................................. 26 Default Data ................................................................................................. 28 Other Optional Data..................................................................................... 28 Chapter 3 Managing Simulation Files ............................................................. 29

Table of Contents - I

Opening a New Simulation ........................................................................... 29 Opening an Existing Simulation................................................................... 30 Saving the Current Simulation ..................................................................... 30 Closing a Simulation ..................................................................................... 32 Deleting a Simulation .................................................................................... 32 Copying a Simulation .................................................................................... 33 Importing a PRO/II Keyword Input File ........................................................ 35 Keyword Features without PRO/II GUI support .......................................... 36 Keyword Features Imported in “Run-Only” Mode ....................................... 36 Exporting Simulation Data to a File ............................................................. 38 Export Simulation Data to a Keyword File ................................................... 39 Exporting the Flowsheet Drawing to the Clipboard ..................................... 40 Exporting Stream or Unit Property Table Data ............................................ 40 Exporting Stream Property Table Data to Stream Report Writer ................ 41 Exporting the PFD to an AutoCAD .............................................................. 41 Exporting Tag Data to a File ........................................................................ 42 Exporting Data to Excel Using Spreadsheet Tools .................................... 42 Copying Property Table Data to the Clipboard ........................................... 42 Copying/Pasting Stream Data in an Excel Sheet........................................ 43 Chapter 4 Building a Flowsheet ...................................................................... 44 Setting Simulation Preferences.................................................................... 44 Setting Problem Description Global Defaults .............................................. 44 Overriding the Global Default Problem Description .................................... 45 Setting Units of Measure Global Defaults ................................................... 45 Changing Global Units of Measure for One Simulation .............................. 46 Units of Measure Library ............................................................................. 48 Setting Thermodynamic System Global Defaults ........................................ 52 Changing Delete Confirmation .................................................................... 53 Setting Global Flowsheet Tolerances.......................................................... 53 Placing a Unit on the Flowsheet................................................................... 54

Drawing Streams ........................................................................................... 57 Drawing a Connection ................................................................................. 59 Connecting Streams When One Unit is Not Visible .................................... 60 Labeling a Stream ....................................................................................... 60 Moving Streams........................................................................................... 61 Searching for a Unit or Stream .................................................................... 61 Drawing Freehand Objects ........................................................................... 62 Entering Text ............................................................................................... 62 Drawing Lines .............................................................................................. 63 Drawing Shapes .......................................................................................... 64 Drawing Pages ............................................................................................ 64 Chapter 5 Manipulating Objects ...................................................................... 67 Selecting Objects or Groups of Objects ..................................................... 67 Selecting Multiple Objects ........................................................................... 67 Selecting a Group of Objects ...................................................................... 68 Resizing Objects ............................................................................................ 69 Rearranging Objects or Groups of Objects ................................................ 70 Editing Text .................................................................................................... 72 Chapter 6 Viewing Flowsheet Contents .......................................................... 73 Scrolling the PFD ........................................................................................... 73 Zooming .......................................................................................................... 73 Opening Multiple Viewport Windows .......................................................... 75 Redrawing the Simulation ............................................................................. 75 Panning ........................................................................................................... 76 Moving the Bounding Box ............................................................................ 77 Chapter 7 Data Entry Windows ......................................................................... 79 Defining the Simulation ................................................................................. 79 Selecting Components .................................................................................. 80 Modifying Component Properties ................................................................ 81 Selecting Thermodynamic Methods ............................................................ 82

Table of Contents - III

Selecting Assay Data .................................................................................... 84 Specifying Reaction Data .............................................................................. 84 Specifying Reaction Procedure Data ........................................................... 86 Specifying Multiple Simulations for Case Study ........................................ 86 Setting the Problem Calculation Sequence ................................................ 87 Specifying Recycle Convergence ................................................................ 89 Data Entry Windows for Unit Operations .................................................... 90 Grids and the X-Y Grid ................................................................................ 91 Chapter 8 Specifying Component, Thermodynamic and Stream Data ........ 96 Component Data ............................................................................................ 96 Selecting Library Components .................................................................... 96 Entering User-defined Components ............................................................ 98 Modifying Component Properties .............................................................. 100 PRO/II and TDM Integration ...................................................................... 102 Assay Data.................................................................................................... 104 TBP Cut point Sets .................................................................................... 105 Assay Characterization Options ................................................................ 106 Thermodynamic Data .................................................................................. 107 Selecting Predefined Method Sets ............................................................ 108 User-added Thermodynamic Data ............................................................ 114 CAPE-OPEN Property Package................................................................ 114 Property Calculations .................................................................................. 114 Defining Transport Properties .................................................................... 115 Specifying Water Decant Options .............................................................. 116 Stream Data .................................................................................................. 120 Specifying Composition Defined Streams ................................................. 121 Specifying Stream Thermal Condition ....................................................... 122 Specifying Petroleum Assay Streams ....................................................... 122 Specifying Recycle Streams ....................................................................... 125 Scaling Product Streams ........................................................................... 127

Specifying Reference Streams .................................................................. 128 Copying Stream Data ................................................................................ 128 Refinery Inspection and User-defined Properties .................................... 132 Entering Refinery Inspection Properties .................................................... 133 User-defined Special Properties ................................................................ 134 Entering Assay Data for Stream Special Properties ................................. 134 Assay Data for Refinery Inspection Properties ......................................... 135 Assay Data for User-defined Special Properties ....................................... 135 BVLE (Validating Equilibrium Data) ........................................................... 140 Chapter 9 Unit Operations and Utility Modules ........................................... 142 Calculator ..................................................................................................... 143 General Information ................................................................................... 143 Sample Calculator Procedures .................................................................. 159 CAPE-OPEN.................................................................................................. 163 Column, Batch.............................................................................................. 167 Column, Distillation ..................................................................................... 168 Column Algorithm ...................................................................................... 169 Reactions ................................................................................................... 170 Pressure Profile ......................................................................................... 172 Condensers ............................................................................................... 173 Reboilers ................................................................................................... 174 Heaters and Coolers.................................................................................. 175 Flash Zones ............................................................................................... 175 Column Heat Leaks ................................................................................... 175 Pumparounds and Vapor Bypasses .......................................................... 176 Initial Estimates ......................................................................................... 176 Homotopy Options for Convergence on Specification .............................. 180 Tray Hydraulics.......................................................................................... 181 ®

Column RATEFRAC Tray Options .......................................................... 181 ®

Column RATEFRAC Packing Options ..................................................... 182

Table of Contents - V

®

RATEFRAC Transport Calculation Methods ........................................... 183 Tray Efficiencies ........................................................................................ 184 Side Columns ............................................................................................ 184 Print Options .............................................................................................. 185 Thermodynamic Systems .......................................................................... 185 Column, Liquid–Liquid Extraction ............................................................. 185 Column Algorithm ...................................................................................... 187 Pressure Profile ......................................................................................... 187 Heaters and Coolers.................................................................................. 188 Initial Estimates ......................................................................................... 188 Performance Specifications ....................................................................... 189 Print Options .............................................................................................. 190 Thermodynamic Options ........................................................................... 190 Column, Side ................................................................................................ 190 Solution Methods ....................................................................................... 191 Compressor .................................................................................................. 192 Pressure, Work, or Head Specification ..................................................... 193 Controller ...................................................................................................... 196 Counter Current Decanter ........................................................................... 198 Crystallizer.................................................................................................... 199 Cyclone ......................................................................................................... 202 Rotary Drum Filter ....................................................................................... 208 Solids Dryer .................................................................................................. 210 Melter/Freezer............................................................................................... 212 Depressuring Unit ........................................................................................ 213 Dissolver ....................................................................................................... 219 Filtering Centrifuge ...................................................................................... 220 Excel Unit...................................................................................................... 227 Data Transfer Sheet .................................................................................. 230 Expander....................................................................................................... 233 Flash .............................................................................................................. 235

Flash With Solids ......................................................................................... 238 Flowsheet Optimizer .................................................................................... 239 Heat Exchanger, LNG .................................................................................. 244 Heat Exchanger, Air Cooled ....................................................................... 246 Heat Exchanger, Rigorous .......................................................................... 247 Heat Exchanger, Simple .............................................................................. 256 Heating/Cooling Curves .............................................................................. 260 Mixer.............................................................................................................. 269 Multivariable Controller ............................................................................... 270 Phase Envelope ........................................................................................... 272 PIPEPHASE Unit Operation ........................................................................ 273 Pipe ............................................................................................................... 276 Line/Fitting Data ........................................................................................ 278 Line Sizing Data ........................................................................................ 279 Polymer Reactor .......................................................................................... 281 Procedure Data ............................................................................................ 282 Procedure Code ........................................................................................ 283 Pump ............................................................................................................. 290 Reaction Data ............................................................................................... 291 Reactor .......................................................................................................... 294 Conversion and Equilibrium Reactors ...................................................... 296 Continuous Stirred Tank Reactor .............................................................. 296 Plug Flow Reactor ....................................................................................... 297 Boiling Pot Reactor ..................................................................................... 300 Gibbs Reactor .............................................................................................. 301 Unit Reaction Definitions ............................................................................ 302 Reactor, Batch.............................................................................................. 307 Solid Separator ............................................................................................ 308 Splitter ........................................................................................................... 309 Stream Calculator ........................................................................................ 310 Specifications............................................................................................... 313

Table of Contents - VII

VARY ............................................................................................................. 315 DEFINE .......................................................................................................... 317 User-added Unit Operations ....................................................................... 329 Customized UAS Data Entry Window ....................................................... 332 Modular User-Added Unit Operations ....................................................... 333 Modular User-Added Utilities ..................................................................... 334 Detailed Information .................................................................................. 334 Electrolytic Column Algorithm (ELDIST) ................................................... 337 Simsci Add-on Modules .............................................................................. 337 SIMSCI POLYMER CSTR Unit Operation ................................................ 337 SIMSCI COMPONENT PROPERTY REPORTER Unit Operation ........... 338 SIMSCI BLEND Unit Operation ................................................................. 339 SIMSCI RESET Unit Operation ................................................................. 339 SIMSCI Profimatics Reactor Unit Operations ........................................... 340 Valve .............................................................................................................. 340 Wiped Film Evaporator ................................................................................ 341 Chapter 10 Running and Viewing a Flowsheet ............................................ 343 Using the Run Toolbar ................................................................................ 343 Checking the Simulation Status ................................................................. 344 Understanding the Unit Color Coding Cues .............................................. 345 Running the Simulation .............................................................................. 346 Stepping Through Simulation Execution ................................................... 347 Stopping Simulation Execution .................................................................. 347 Using Breakpoints ..................................................................................... 348 Viewing Results ......................................................................................... 349 Selecting Streams for Property Tables...................................................... 351 Customizing the Stream Property Tables ................................................. 351 Defining Stream Property Lists (Formats) ................................................. 352 How Stream Property Tables Persists on File Save and File Open ......... 354 Mapping the Stream Property Table to the Stream Report Writer ............ 354

Running a Case Study ................................................................................. 356 Viewing Case Study Results ..................................................................... 358 Running Files in Batch Mode ..................................................................... 358 Revising the File Execution Sequence Order ........................................... 362 Creating an Execution File List.................................................................. 362 Executing the Batch List ............................................................................ 363 Viewing Output Results ............................................................................. 363 Chapter 11 Printing and Plotting .................................................................... 364 Defining Output Reports ............................................................................. 364 Generating a Report .................................................................................... 372 Plotting.......................................................................................................... 373 Chapter 12 Customizing the PFD Workplace ................................................ 379 Changing Unit Operation Styles................................................................. 379 Changing the Unit Icon Globally ................................................................ 380 Changing the Unit Icon for a Single Unit ................................................... 381 Changing the Label Displayed for a Specific Unit ..................................... 382 Changing Stream Styles ............................................................................. 383 Changing the Global Stream Style ............................................................ 383 Display Stream Property Lists As Stream Labels ..................................... 386 Create Custom Stream Property Lists ....................................................... 387 Changing the Style of an Individual Stream ............................................. 389 Changing the ID Name of an Individual Stream ........................................ 390 Toggle Stream Property List Button .......................................................... 392 Adding the Toggle Stream Button to the Tool Bar .................................... 393 Customizing Stream ToolTips .................................................................... 395 Modifying Drawing Preferences ................................................................. 397 Specifying a Default Editor ......................................................................... 397 Changing the Default Font .......................................................................... 397 Index ....................................................................................................................... i

Table of Contents - IX

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

Before Starting PRO/II If you have not yet installed PRO/II on your system, see the PRO/II PC/LAN Installation Guide. If you do not see a PRO/II icon in a SIMSCI group window or in your Program/SIMSCI Start menu, see the troubleshooting section in the PRO/II PC/LAN Installation Guide.

Compatibility with Previous Versions This release of PRO/II can read simulation files created by previous versions of PRO/II. When you open a simulation file created by a previous version, the file is automatically converted to the current version, and a copy of the original file is saved under a different name. For example, if you open G3.prz that was created by PRO/II version 6, the converted file will be saved as “G3.prz” and a copy of the original file will be saved as “G3_v60.prz”. Note: Some keyword input files created manually may include features that are not supported by the PRO/II graphical user interface. PRO/II issues a warning when this occurs. For flowsheet execution, all features will be preserved if you choose either the Read Only or Run Batch mode. In all cases, if you subsequently export the problem, all unsupported features will be lost. The exported file will not include any of the unsupported features. Later import of an exported file will reveal that the unsupported features are missing. It is always prudent to make copies of your original files and to work only on the copies of the original files.

Starting PRO/II To start PRO/II: 

Double-click the PRO/II icon, or launch from the Start menu.

The PRO/II welcome window appears. This window contains information on opening files and on the color codes used in the program.

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Using PRO/II 1

Figure 1-1 PRO/II Welcome Window

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

Click OK to close this window and open the PRO/II main window.

Figure 1-2: The PRO/II Main Window You can now open a new simulation file (select File/New), open an existing file (select File/Open), or import a keyword file (select File/Import). See Chapter 3, Managing PFD Files, for additional details.

PRO/II Main Window Components Component

Description

Control Menu Box

Displays a menu with commands for sizing, moving and closing the active window.

Title Bar

Identifies the application and the name of the open file; can be used to move the entire window.

Minimize Button

Reduces the application window to an icon.

Maximize/Restore Button

Enlarges a window to full screen or restores it to its default size

Menu Bar

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

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Component

Description

Toolbar

Provides push button access to various Edit, Input, Tools, View, Window, and Help options

PFD Main Window

Provides a workspace for placing units, making stream connections, drawing objects, and adding text.

Horizontal Scroll Bar

Functions as a sliding scale for moving the flowsheet to the right or left in the PRO/II main window.

Vertical Scroll Bar

Functions as a sliding scale for moving the flowsheet up or down in the PRO/II main window.

Status Bar

Displays help, information and error messages for the active feature or object.

Border Handles

Changes window height, width, or size when the corresponding border handle is dragged to a new position.

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

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

Using Minimize/Maximize Buttons The minimize and maximize buttons automatically adjust the size of a window.

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

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Using the Control Menu In addition to the border handles, you can also use the Control menu to Restore, Move, Size, Minimize, or Maximize a window. Open the Control menu by clicking the PRO/II icon at the far left of the title bar or by pressing .

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

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

PRO/II On-Screen Color Codes Color

Significance

Red Required data

Actions or data required of the user

Green

Optional or default data

Blue

Data supplied by user

Yellow

Questionable data. A warning that the value supplied by user is outside the normal range.

Gray

Data field not available to user

Black

Data entry not required

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

Figure 1-3: File Menu Figure 1-4: Edit Menu

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Figure 1-6: Run Menu

Figure 1-5: Input Menu

Figure 1-6: Output Menu

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Figure 1-9: Draw Menu

Figure 1-8: Tools Menu

Figure 1-10: View Menu

Figure 1-11: Options Menu

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Figure 1-13: Help Menu

Figure 1-12: Window Menu

Using the PFD Floating Palette The PFD Floating Palette contains the unit operations and streams needed to construct a flowsheet. This palette may be displayed or hidden by selecting View/PFD Palette from the menu bar. Menu Item

Description

View/Palettes/PFD

Checking this option displays the PFD palette containing unit operations and streams (also known as the Streams/Unit palette).

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Using the PFD Palette Button This button is a toggle that hides or displays the floating PFD palette. Menu Item View/PFD Palettes

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

Using the Toolbars PROII Toolbars are grouped into 5 categories: Standard, Input, Run, Flowsheet, Output and PFD. These toolbars show only the buttons that you have used most recently. Toolbar buttons duplicate options available from the menus on the menu bar. Simply click a button to perform its function. Hovering the mouse cursor over a button without clicking displays a tool tip that identifies the button. When PRO/II is first installed, several groups of buttons are visible. Many others are available. •

New, Open, Save, and Print

•

Show or Hide PDF Palette

•

Data Entry Window buttons (Input, Component Selection, etc.)

•

Navigation Aids (Pan, Find and Rename Units, Find and Rename Streams)

•

VLE Tool buttons

•

Run/Results buttons

•

Delete and View buttons

•

Help button

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Using the Customize Icon Pallette The Customize Icon Palette option can be used to customize the icons present on the icon palette. This option enables the user to create a new tab, reorder the existing tabs, delete an existing tab or edit the unit operations present in a tab. The Icon Palette Tab Manager window can be accessed by clicking Customize Icon Palette from Options menu.

Figure 1-7: Icon Palette Tab Manager

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A summary of the buttons available on the Icon Palette window is provided below: Button

Description Move the selected tab upward one position. Move the selected tab downward one position Create a new tab on the Icon Palette. Rename the selected tab on the Icon Palette. Delete the selected tab from the Icon Palette. Edit the unit operations present in the tab. Restore the icon palette supplied by install.

To add a new tab: 

Highlight a tab.



Click New, to open the New Tab window.

Figure 1-8: New Tab Window 

Enter the new name in the Tab Name field.



Click OK. By default “Custom” is the tab name that appears on the New Tab dialog box. Note: The tab name must be unique.

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To rename a tab: 

Highlight a tab.



Click Rename, to open the Rename Tab window. By default the selected tab name appears in the edit field of the Rename Tab window.

Figure 1-9: Rename Tab Window 

Enter the name to be replaced in the Tab Name field.



Click OK.

To delete a tab: 

Highlight a tab.



Click Delete. A message appears on the screen to confirm the actions for deleting.

Figure 1-10: Delete Tab Window 

Click Yes to continue.



Click NO to cancel.

To edit the unit operations in the tab: 

Highlight a tab.



Click Edit, an Edit Tab window appears as shown in Figure 1-11.

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Using PRO/II 13

This window contains Up, Down, Top, Bottom, Insert and Delete buttons to reorder, to insert an available unit operation and to delete an existing unit operation from the selected tab. Same unit operation can be added to more than one tab.

Figure 1-11: Edit Tab Window

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A summary of the buttons available on the Edit Tab window is provided below: Button

Description

Move the selected unit operation upward one position.

Move the selected unit operation downward one position.

Move the selected unit operation to the top of the list.

Move the selected unit operation to the bottom of the list. Insert the selected available unit operations just before the highlighted unit operation in the unit operation list box. Delete the selected unit operation from the Unit Operations List box. A message appears on the screen to confirm the actions for deleting.

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

Menu Item

Description

Input/Problem Description

Describes the current simulation and relates it to a specific project.

Input/Units of Measure

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

Input/Component Selection

Specifies the components and pseudo components for the current simulation.

Input/Component Properties

Supplies component properties.

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Using PRO/II 15

Input/Thermodynamic Data

Selects thermodynamic methods for the current simulation.

Input/Launch TDM

Launch Thermo Data Manager

Input/Assay Characterization

Modifies TBP cut points and characterization options for generating pseudo components from Assay streams.

Input/Reaction Data

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

Input/Reaction Procedure

Use this window to create or delete Procedure blocks in order to calculate kinetic reaction rates.

Input/Casestudy Data

Allows users to perform studies on a base case solution by altering parameters and rerunning.

Input/Calculation Sequence

Specifies a user-defined calculation sequence.

Input/Recycle Data

Specifies user-defined recycle convergence and acceleration options.

Using Navigation Aid Buttons The Go To buttons enable you to jump to a selected unit or stream. PRO/II repositions the flowsheet to place the selected unit or stream at the center of the main window. The Find and Rename Streams and Find and Units buttons open windows that allow direct data entry and review of output results for the selected stream or unit, and bulk rename of the units or streams available in the flowsheet.

Button

Menu Item

Description

View/Pan View

Allows quick panning through the entire flowsheet.

Find and Rename Units

Displays a list of units in the current flowsheet. By selecting a name, you can jump directly to that unit. Also, you can rename the required units available in the flowsheet at one go.

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Find and Rename Streams

Displays a list of streams in the current flowsheet. By selecting a name, you can jump directly to that stream. Also, you can rename the required streams available in the flowsheet at one go.

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

Menu Item

Description

Tools/Flash Stream

Flashes the stream highlighted on the PFD. (Also called the Flash Hot-key)

Tools/Binary VLE

Generates plots and tables of K-values and fugacity coefficients for binary pairs of components.

Using Run/Results Buttons The Run/Results buttons duplicate functions on the Run Simulation floating palette. They allow you to run, stop a simulation or permit viewing results and generate output reports. The Generate Output button duplicates an Output menu item. Button

Chapter 1

Menu Item

Description

Run/Run Simulation

Runs the simulation

Run/Stop

Stops the simulation

Output/Data Review Window

First, select any stream or unit on the PFD. Pressing this button displays the results of the selected PFD item.

Run/View Results

View Text Results Window. First, solve a simulation; then select any stream or unit on the PFD. Pressing this button displays results for the selected item similar to how they would appear in the complete output text report.

Output/Generate Text Report

Generates an output report for the simulation problem.

--------

Select Active report allows choosing which pre-defined report is currently

Using PRO/II 17

active. Output/Generate Excel Output

Generates an output report suitable for viewing by using Microsoft Excel

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

Menu Item

Description

Edit/Delete or

Deletes the currently selected object(s) from the flowsheet.

Input/Toggle Stream Property List

User can select a particular stream property table as the toggle stream property list.

View/Zoom/Zoom Full or

Displays the entire flowsheet in the PFD window.

View/Zoom/Zoom In, Zoom Out

Zooms in or out of the flowsheet.

View/ Zoom/Zoom Area

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

View/Zoom/Redraw or

Clears the PFD of any extraneous object by redrawing the flowsheet.

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

Menu Item What Is?

Description Displays help for the object you point to.

Customizing the Toolbar Buttons on the toolbar may be added, removed or rearranged by using the Toolbar… item on the View menu. Over 50 buttons are available.

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Figure 1-12: Toolbar Customization from View menu All items in the “Selected Items” list box from top to bottom appear in order left to right on the tool bar. Items in the “Available Items” list box do not appear on the tool bar. Use the Add, Add ALL, Delete, and Delete ALL buttons to move items between the two list boxes as desired. To add an item to the tool bar, 

Highlight an item in the “Available Items” list box.



Use the Add button to move it to the “Selected Items” list box.

To remove an item from the tool bar, 

Highlight an item in the “Selected Items” list box.



Use the Delete button to move it to the “Available Items” list box.

To change the order of items on the tool bar, 

Highlight an item in the “Selected Items” list box.



Use the Up, Down, Top, and Bottom buttons to change the position of the item in the list.

All changes take effect immediately after pressing OK.

Using the PRO/II Main Window The PRO/II main window (PFD) is the main drawing board. You may place the following objects on the PFD: 

Unit operations from the PFD palette



Stream connections

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

Text



Drawings



Stream property tables

Use the PRO/II main window to see the contents of your simulation. You can choose to view the entire flowsheet or only a portion of it. You control the view using scroll bars, pan options, the zoom bar, or arrow keys. Note: See Chapter 5, Manipulating Objects, for information about placing, selecting and changing the size of objects in the PFD.

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

General Approach This chapter provides a quick overview of the use of PRO/II for solving engineering problems. A suggested basic approach is given as well as helpful explanations of the information flow in PRO/II. Sample data entry windows are given to illustrate data entry for PRO/II. Step-by-step examples are available in the PRO/II Tutorial Guide. Online help is also available. You have already learned that PRO/II gives you great flexibility and numerous options when supplying simulation data. For many items of data, default values are supplied. A color code informs you when data are required, supplied by default, out of normal ranges, or missing. Note: You must supply data for all red-bordered fields or red-linked text (including data required) before running your simulation. Problem data may be supplied in almost any order: PRO/II warns you when required data are missing. However, it is still best to follow a logical path when supplying simulation data. For example, some options such as stream compositions are dependent upon the components selected. Some unit operations, such as the flash drum, have features that are dependent on the thermodynamic data. For some other unit operations, performance specifications based on the components in the system are the preferred way to define the operation. For these reasons, the following approach is recommended when building a simulation flowsheet.

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

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

Chapter 2

Simulation Basics 21

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

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

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

Supply Operating Conditions for the Unit Operations Double-click the icon for each unit operation to access the data entry windows. The color codes tell you what data you must supply and what data have default values. You may also use the online help to learn more about the calculation options, data entry items, etc., for each unit operation. A quick review is also a good idea at this point. Do the thermodynamic methods support the unit operation calculations? Are transport properties required for any of the unit operations?

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

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Analyze the Simulation Results Use the many convenient report and plotting features of PRO/II to analyze the simulation results. At this point, your training as an engineer should take charge. Are the results reasonable? How do the results compare with the plant data? Can differences be reconciled? Are better data for the feed stocks needed? Are the models adequate for the intended purposes? Now that we have presented an overall plan for simulating a flowsheet, let’s look at some of the individual steps in more detail.

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

Streams Click the Streams button on the top of the floating PFD palette. The PFD is now in stream mode and a small “S” is attached to the cursor. You will notice that all possible exit ports for each unit operation are now marked. Required outlet ports are colored in red; green is used to mark optional ports. PRO/II adds each stream to the flowsheet in an orthogonal manner, following a rectangular grid pattern. As soon as a valid flowsheet has been built, i.e., all required inlet, outlet, and connector streams have been added for all the process units, the red border around the Streams button on the PFD palette changes to blue.

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

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

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Library components for which the library access names are known may be directly typed into this window, where they are transferred to the List of Selected Components for the problem. A convenient search procedure is also provided which may be used by clicking Select From Lists… Petroleum (PETRO) components are defined in the Petroleum Components window, which is reached by clicking Petroleum…. Non-library components can be defined in the Userdefined window which is reached by clicking User-defined…. Note that petroleum pseudo-components defined by PRO/II from petroleum stream assay data do not appear in the Component Selection main window.

Thermodynamic Methods Thermodynamic methods are defined in the Thermodynamic Data main window which is reached by selecting Input/Thermodynamic Data from the menu bar or by clicking on the phase diagram icon. Note that this icon is initially outlined in red, indicating that thermodynamic methods must be defined for the problem. For most problems, a predefined set of thermodynamic methods for calculating K-values, enthalpies, entropies, and densities may be used. PRO/II offers numerous Categories of method sets. After a category has been selected, you may select a method set within that category as a Defined System for the problem and modify it by clicking Modify… to access the Thermodynamic System-Modification window. Note that transport property calculations are not included in the predefined method sets. If they are required for the problem, you must add them to the predefined thermodynamic method set in this window.

Stream Information The identifiers for feed streams requiring input data are marked with red borders indicating that information is missing. Stream information is supplied in the Stream Data main data entry window which is reached by double-clicking a stream identifier. The predefined stream identifier may also be changed in this window. Three types of information must be supplied in this window: the thermal condition of the stream, the flow rate for the stream, and the composition of the stream. For petroleum assay streams, the assay data are provided instead of the composition data, and PRO/II defines the stream composition for you in terms of petroleum pseudo-components. Although optional, it is good practice to provide reasonable estimates for recycle tear streams in order to accelerate convergence of problem recycle calculations.

Unit Operations Unit operation identifiers for which data entries are needed are marked with red borders. To enter information for a unit operation, double-click its icon to retrieve

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the Unit data entry window. Various input options and numeric values are supplied via this parent window and its child windows. Required information is always bordered in red; data entry fields for items with supplied defaults are always bordered in green. After supplying information in a data entry field, the border color changes to blue. Information you have supplied which lies outside the normal range for the field is marked with a yellow border. You may also change the default unit identifier in this window and furnish a longer, more descriptive name for the unit operation. Notice that when you return to the flowsheet, the unit identifier on the PFD has a black instead of red border, signifying that all data entry requirements are satisfied. If the border is still red, you must return to the data entry window for that unit operation and supply the missing data.

Optional Data Miscellaneous Data All data entries in these categories are optional because PRO/II provides default values for all the options. In some cases, global values may be used to supply the defaults, as explained in Chapter 4, Building a Flowsheet. Miscellaneous data categories include problem descriptive information, the calculation sequence, recycle convergence options, flowsheet tolerances, and the scaling of product streams. Problem descriptive information is optional; however, it can be beneficial to document a simulation model for future users. This information includes a project name, problem name, user name, date, site, and problem description. This information is supplied in the Problem Descriptive Information window, which is with the printed page icon or by accessed by clicking the toolbar icon selecting Input/Problem Description from the menu bar. For most problems, the calculation order determined by PRO/II is satisfactory. To with the two connected supply your own sequence, click the toolbar icon flowsheet blocks or select the Input/Calculation Sequence from the menu bar. Definitions of recycle loops are automatic. To define your own loops, or to use with the flowsheet loop icon to acceleration techniques, click the toolbar icon enter the Problem Recycle Convergence and Acceleration Options window or select the Input/Recycle Convergence from the menu bar. Flowsheet tolerances are used for convergence of unit operation specifications and may be changed in the Default Unit Specification Tolerances window, which is reached by choosing Input/Flowsheet Tolerances from the menu bar. All flowsheet results may be scaled so that a desired flow is obtained for a product stream. To use the scaling feature, select the Output/Report

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Simulation Basics 25

Format/Miscellaneous Data. Click Product Stream Scaling… on the Miscellaneous Report Options window to access the Scale Stream Flow rate window.

Miscellaneous Calculation Options PRO/II has default settings for many global calculation settings, but in some simulations it may be desirable to employ alternative settings. The options described here correspond to entries in the General Data category of keyword input. They are more fully described in Chapter 5 of the PRO/II Keyword Input Manual. Note: Chapter 4 of this Guide describes additional settings available through the Options menu. To access these calculation settings in ProVision, navigate to Input/ Miscellaneous Data from the menu bar. This displays the Input Miscellaneous Data dialogue:

Figure 2-1: Miscellaneous Calculations Options Include Exergy Analysis: Placing a check mark in this checkbox requests exergy calculations after the flowsheet has solved. These calculations do not affect flowsheet convergence. This corresponds to the EXERGY statement of General Data keyword input.

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Component Data: Controls the component slates used in each thermodynamic METHOD set. The default Fixed option forces all thermodynamic sets to use the same component properties uniformly. The Variable option allows each METHOD set to use different properties for the components. This is equivalent to the CDATA option on the CALCULATION statement of General Data keyword input. Polymer Mode Consistency Check: Set Yes by default, this generates a report of how the phases available for polymer components agree with the phases available in the thermodynamic methods. This option takes very little time, and there is no substantial advantage for using the No option. This is equivalent to the PCONVERSION option on the PRINT statement of General Data keyword input. (It is used so rarely it no longer is documented in the Keyword Manual.) Thermo/Phase Designation Consistency Check: This checks that the phases declared in the thermodynamic METHOD sets are compatible with the phase designations of non-polymer components. The default Calculation Time setting performs the checks each time thermodynamic calculations are initiated. The Input Time option performs the checks only once, before flowsheet calculations begin. Performing the checks during calculations has very little impact on the elapsed solution time. This is the same as the COMPCHECK option on the CALCULATION statement of General Data keyword input. Independent Variable Check: In equilibrium calculations where the dependent variable (y) is relatively insensitive to the independent variable (X), the default ON setting forces relatively large changes in the independent variable. This helps ensure the solution is near the local optimum. The OFF option accepts any valid solution that is merely “within tolerance”, but may be desirable in rare situations. This is equivalent to the DVARIABLE option on the CALCULATION statement of General Data keyword input. Flash Algorithm: PRO/II incorporates several strategies for solving flash calculations. Each strategy has unique strengths and weaknesses. The Default setting is robust, and is appropriate for most simulations. The before Version 5.5 setting closely replicates the flash results obtained in older versions of PRO/II. The Alternate setting is recommended when the Default method fails, especially when two liquid phases are expected. For more description, refer to the FLASH option on the CALCULATION statement of General Data keyword input. Maximum Node Calculations: This entry sets the maximum number of unit operations and branching decisions allowed during flowsheet solution. The default number is adequate for virtually all simulations. See the MAXOPS entry on the CALCULATION statement of General Data keyword input.

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Default Data To simplify data input, PRO/II supplies default options and values wherever practical. Default values supplied by PRO/II are printed in black in a data entry field with a green border, or in the case of linked text, in green. For example, the default number of iterations for a column unit operation using the IO method is supplied as 15. Entries which you must always supply are indicated with a color red because they have no default values. While it is not necessary to replace a default entry to satisfy PRO/II input requirements, default data should be inspected carefully to ascertain that they meet your requirements. After replacing a default value, the border color for the data entry field changes to blue, indicating that you have supplied this value. For linked-text strings, the color of the linked text is also changed to blue, indicating that you have replaced the default value.

Other Optional Data Optional data, which are displayed in black, are data or options not specifically necessary for the unit operations to proceed. For example, the Description entry is optional for all unit operations. A reboiler is optional for the Column unit operation, since the calculation requirements may also be satisfied by a vapor feed to the bottom tray of the column. Data options which do not apply to a particular combination of input data appear in the color gray, and are not available for data entry. For example, when the kettle reboiler option is selected for a column reboiler, the data entry fields for a thermosiphon reboiler are colored gray.

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

Opening a New Simulation When you start PRO/II, the program does not automatically bring up a new, untitled simulation. Note: If you want PRO/II always to open with a new simulation, select Options/New File on Startup from the menu bar.

To open a new simulation: 

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

Figure 3-1: PRO/II Main Window

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

To open an existing simulation: 

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

Figure 3-2: Open Simulation Window 

Type or select the name of the simulation file.



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

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

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

To save the current simulation: 

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

Note: PRO/II 5.x automatically compresses the three PRO/II database files (*.pr1, *.pr2, *.pr3) and the simulation flow diagram file (*.sfd) into a single

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*.prz file. Besides reducing the size of stored files, PRO/II file compression assures that a complete set of files for each simulation has been saved.

Figure 3-3: Save As Dialog 

Type a name for this simulation.



Click Save or press .

Note: The PRO/II Autosave functionality automatically creates a backup file at user-specified intervals from which recovery can be made. If you close or exit the simulation without saving, this backup file is deleted. Select Options/Simulation Defaults/Autosave… from the menu bar to access the Autosave Options window.

Saving a Simulation to Another Name You can save a simulation to another name. Changes you made to the simulation since the last save are saved as part of the simulation, under its new name. Note: If you’ve made changes to a simulation and don’t want to alter the original simulation, but do want to keep the changes, use Save As.

To save the current simulation to another file name: 

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

PRO/II prompts you for a new file name. 

Type a name for the simulation.

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

Click Save or press .

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

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

To close a simulation: 

Choose File/Close from the menu bar.

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

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

To delete a simulation file: 

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

Figure 3-4: List of Files 

Type or select the name of the file you want to delete. (You may not delete the current simulation.)



Click Open or press . PRO/II deletes all files associated with this simulation.

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

To copy a simulation file: 

Choose File/Copy... from the menu bar. This opens the dialog illustrated in Figure 3-5.

Figure 3-5: Copying Files 

Select the name of the file you want to copy from the file selector. (You may not copy the current simulation.)



Enter a name for the copy (target).

 Click Open or press . PRO/II copies all files associated with the simulation. Note: There may be as many as 17 separate files associated with a single simulation problem. These are described in Table 3-1.

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

Description

*.pr1, *.pr2, *.pr3

PRO/II database files

*.sfd

Graphics file

*.prz

Compressed files containing *.pr1, *.pr2, *.pr3 and *.sfd files

*.out

Main output file

*.ot1

Component, calculation sequence, recycle loops/streams output data

*.ot3

Equipment/streams output data

*.sr1

Input source listing

*.ix3

Output index

*.hs2

Calculation history

*.inp

Keyword input file

*.plt

Plots saved in the plot display window

*.txt

Stream property table or plot (saved in ASCII format)

*.csv

Stream property table or plot (saved in tabular format)

*.clp

Graphics saved in Clipboard format

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*.prc

Temporary procedure file created and removed by PRO/II. Only remains if there is an abnormal termination.

Importing a PRO/II Keyword Input File You can import an existing PRO/II keyword input file into the PRO/II graphical user interface and then execute the simulation problem just as if you had entered the problem using the PFD graphical main window. PRO/II automatically converts the specified keyword input file into a flowsheet and displays it in the PFD window. Note: In the previous versions, PFD layout was retained within the *.prz file. In the current version, *.sfd file will be generated, when a simulation (PFD) is saved and exported. After the generation of *.sfd file, users can restore the PFD layout using *.inp file.

To import a PRO/II keyword input file:  Choosing File/Import from the menu bar. PRO/II displays a list of existing keyword input files.

Figure 3-6: List of Files 

Type or select the name of the keyword file that you want to import.



Click Open or press .

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

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Keyword Features without PRO/II GUI support The RESTART feature is not supported by the graphical user interface in this version of PRO/II. You will not be allowed to import keyword files that contain this feature. If a RESTART keyword is detected upon import, you will be reminded that only the “Run Batch” feature of PRO/II may be used with these keyword input files. See Chapter 10, Running and Viewing a Flowsheet, for information on running keyword files in “Batch” mode.

Keyword Features Imported in “Run-Only” Mode Certain keyword features are not fully supported by the graphical user interface of PRO/II. However, if one of these unsupported features is detected, you will be allowed to import the keyword file, however the GUI interface will operate in the “Run-Only” mode. Such unsupported keywords include: 

BVLE Data



Hydrate Unit Operation



HEXTRAN Property Data Generator.

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

In “Run-Only” mode, you can: •

Review and modify the PFD graphic image. You may move unit operation icons and streams around to improve the appearance of your PFD.

•

Add drawing elements to the PFD.

•

Add stream property tables to the PFD.

•

Have access to all the capabilities on the Run toolbar (perform all interactive execution functions available on the Run toolbar for both supported/unsupported units, review the calculated results on the PFD for all streams and supported/unsupported units, generate output reports for all features, generate plots for supported features only).

•

Export the flowsheet and stream property table information to other Windows applications.

•

Edit the keyword file, re-import, and rerun (without leaving PRO/II).

•

Use the stream flash icon.

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In “Run-Only” mode, you cannot: •

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

•

Perform any input mode functions, including changing the calculation sequence. All buttons and menu options that access simulation data will be disabled.

•

Perform any of the following functions: adding/deleting units, adding/deleting streams, and reconnecting streams.

•

Export the PRO/II keyword input file.

If you import a keyword file containing unsupported features, one or more messages dialogs appear. These describe the problems and provide options for remedial action. The following display is typical:

Figure 3-7: Typical Unsupported Features Warning Window After responding to each unsupported feature dialog, the message window displays messages similar to the following: ** MESSAGE ** A single STREAM that FEEDS MORE THAN ONE UNIT operation is NOT SUPPORTED by PROVISION. Referencing streams may be used instead. ** MESSAGE ** Duplicate stream 8 feeding X1 is renamed to 8_R1 and is referenced to the first instance of 8. Figure 3-8: Flowsheet Status Window for Unsupported Features

Removing all unsupported features in the dialog boxes allows PRO/II to start normally. However, leaving even one unsupported feature present results in PRO/II operating in “Run-Only” mode. The Title bar of the main PFD window reveals this condition, as illustrated in Figure 3-9.

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Figure 3-8: PRO/II in “Run-only” Mode 

Click Run on the Run menu.

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

Exporting Simulation Data to a File PRO/II allows exporting the current simulation flowsheet in a variety of different formats for use in various applications. To begin the export process: 

Choose File/Export… from the menu bar. PRO/II displays the Export window which lists the data export options. Refer to Figure 3-10.

Figure 3-9: Available Data Export Options Note: In the current version, a *.sfd file is generated when the simulation (PFD) is saved and exported. After generation of the *.sfd file, users can restore the PFD layout using the (exported) *.inp file.

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

Choose the Simulation Data to Keyword File option.



Click OK.

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

Export Simulation Data to a Keyword File This selection opens a special Save As… dialog window that allows exporting the input data of the simulation to an ".inp" keyword input file. 

Navigate to the destination drive and directory of choice using the Save In: field.



Enter the name of the output file in the File Name: field.



Press the Save button to complete the operation.

The exported keyword file then may be imported into any compatible version of the PRO/II program to rerun the simulation, even on another computer. Keyword files also are a very compact way to archive the data. Note that the keyword file contains all the appropriate data sections (General, Thermodynamics, etc.). In v6.0 and later, the "Simulation Data to Keyword File" option is expanded to include check boxes to control exporting stream and column solution data to the keyword file. If output data exists, even if the solution is unconverged, the two "Include" check boxes are enabled (See figure 3-10). If the Run command was never executed, or not executed since the last time "Restore Input Data" was performed, these checkboxes are disabled. Test for Convergence When the user selects either or both of the "Include" check boxes (Figure 3-10), upon OK, the first thing PRO/II does is test for convergence. If the solution is in an unconverged state, PRO/II displays a message box to warn the user that the data being written to the keyword file is unconverged. Clicking "Yes" continues to the file name selection common dialog. "No" returns the user to the Export window. Note: Beginning with PRO/II version 5.5, exported flowsheets write all unit operations in the flowsheet to the keyword file. Previously, for keyword input files that include a User-Defined Sequence List, only unit operations listed in the Sequence List were exported. This change was necessary to support the new Included/ Excluded functionality. PRO/II now generates a SEQUENCE statement with a list of Available Unit Operations that excludes unit operations marked Excluded at the time of export. Additionally in these instances, PRO/II writes a warning into the keyword file advising that the list of unit operations and the SEQUENCE statement do not

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match. These files may cause input processing problems if read into earlier versions of PRO/II (i.e., versions prior to 5.5).

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

To export the entire flowsheet drawing to the Clipboard: 

Choose File/Export from the menu bar. PRO/II displays the Export window (Figure 3-10).



Choose the Flowsheet Drawing option.

 Click OK.

To export one page of the flowsheet to the Clipboard: 

Select the page to export by clicking on its edge on the PFD.



Choose File/Export from the menu bar. PRO/II displays the Export window (Figure 3-10).



Choose the Selected Page of Flowsheet Drawing option.



Click OK.

Exporting Stream or Unit Property Table Data You can export the information in a stream property table or a unit operation property table to an ASCII file. The file subsequently may be imported into spreadsheet and word processing applications.

To export data from a stream or unit operation property table: 

Select the property table to export (select it on the PFD).



Choose File/Export from the menu bar. PRO/II displays the Export window (Figure 3-10).



Choose the Stream / Unit Op Property Table option.



Click OK. The Export File Filter window will appear (see Figure 3-11).



Enter a name for the Output File.



Select the desired file format (tab-delimited or comma-delimited) from the Save File as Type drop-down list box.



Click OK.

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Figure 3-10: Export File Filter Window PRO/II then generates the ASCII file. To import this file into your spreadsheet or word processing program, follow the instructions included with that application.

Exporting Stream Property Table Data to Stream Report Writer You can export the information in a Stream Property Table to a keyword file where it will persist as a Stream Report Writer by using the “Exporting Simulation Data to Keyword File” option. The Property Table name and the specified streams for each table are exported onto an OUTPUT statement and the Property List definition is exported onto a FORMAT statement.

Exporting the PFD to an AutoCAD You can export your flowsheet drawing as an AutoCAD .DXF file: 

Choose File/Export from the menu bar. PRO/II displays the Export window (Figure 3-10).



Choose one of the following options 

Flowsheet to AutoCAD .DXF



Flowsheet to AutoCAD Design XML



Click OK. The Save As window appears.



Enter a name for the .DXF file.



Click Save to export the data to the file.

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Exporting Tag Data to a File All tagged data in the simulation can be exported to a plain text (ASCII) file for later use in other applications. 

Choose File/Export from the menu bar. PRO/II displays the Export window (Figure 3-10).



Choose Tag data to file



Click OK. The Save As window appears.



Enter a name for the *.RAW file.



Click Save to export the data to the file.

Exporting Data to Excel Using Spreadsheet Tools Spreadsheet tools are Excel template files and macros that can read information in the PRO/II simulation database to generate reports or perform additional onthe-spot calculations. They can also update data in the simulation database itself using data from an Excel spreadsheet. They offer functionality similar to the export functions described earlier, but export data directly to Microsoft Excel instead of to a disk file. Each Tools/Spreadsheet menu item can be used to start a spreadsheet tool. 

From the Tools menu, choose Spreadsheet. The list of currently installed tools will appear in a side menu.



Click the desired tool to export data and automatically launch Excel.

Note: Microsoft Excel must be installed on your system to use these tools. Additionally, since these tools use macros to export the data, macros must be enabled in Excel. If Excel displays a security dialog, choose “Enable macros”. PRO/II comes pre-installed with some default spreadsheet tools. They can be used to create tables of stream properties, component flow rates, or distillation reports. They also can generate property tables and other reports for a limited number of supported unit operations.

Copying Property Table Data to the Clipboard You can copy the information in a stream or unit operation property table to the clipboard. This table can then be pasted into any other Windows application.

To copy a property table to the Clipboard: 

Select the stream or unit operation property table on the PFD.



Choose Edit/Copy from the menu bar.

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Copying/Pasting Stream Data in an Excel Sheet Use the buttons labeled Copy / Paste to copy and paste the stream data to and from an Excel sheet. This enables the user to enter and analyze the data with ease. The feature is implemented in all dialog boxes where the data is represented in XY grid. XY grid has the following properties: The grid origin is numbered 0.0. •

The X and Y axis divide the grid into 4 quadrants.

•

Display any grid variable as a distinct value per cell or smoothly varying.

•

No duplicate values are allowed.

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

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

Setting Simulation Preferences PRO/II enables you to set global defaults for problem descriptions information, units of measure and thermodynamic systems. These global defaults apply to all simulations unless you specifically override them either for a particular simulation or unit operation. On a simulation level, you can set problem-specific input and output units of measure defaults. Simulation level settings override global defaults. In addition, you can change units of measure settings for a specific unit. This setting overrides both simulation and global defaults.

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

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To set problem description global defaults: 

Choose Options/Simulation Defaults from the menu bar.



Choose Problem Description. The Global Default for Problem Descriptive Information window appears, as shown in Figure 4-1.

Figure 4-1: Global Default for Problem Descriptive Information 

Complete the window.



Click OK.

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

To override the global default problem definition: 

Click Problem Description or choose Input/Problem Description from the menu bar. The Problem Descriptive Information window appears.

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

Setting Units of Measure Global Defaults By default, PRO/II uses the English units of measure set for all input data and for output reports. These defaults apply to all new simulations. You can override the

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default set for either input data or output reports (or both) for all new simulations. PRO/II maintains a library of units of measure sets that you can select from and add to.

To set the unit of measure global defaults: 

Choose Simulation Defaults from the Options menu.

 Choose Units of Measure. The Default Sets of Units of Measure window appears.

Figure 4-2: Global Units of Measure Sets 

Select the desired default units of measure set for entering simulation data. The default choice is ENGLISH-SET1, i.e., the data input will be in English units.



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

If any choice other than the default is selected, the second output report will no longer be available, and the list-box for selecting the alternate units of measure set for the second output report will be disabled. Select the desired default units of measure set for generating the second output report. The default choice is None, i.e., no second output report in alternate units will be generated.

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

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To set the units of measure for the current simulation: 

Click Input Units of Measure or choose Input/Units of Measure from the menu bar. The Default Units of Measure for Problem Data Input window appears.

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

Select different dimensional units for data input for each individual category or choose Initialize from UOM Library... to automatically fill in the defaults from another set.



Click Standard Vapor Conditions... to enter the Problem Standard Vapor Condition window. The default temperature and pressure basis are shown in the data entry fields and may be replaced or the standard vapor volume per mole may be replaced, not both. PRO/II default values are:



Note in the following table that standard conditions for liquid molar volume are different than standard vapor conditions. Table 1: Standard Conditions

Temperature English

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60

° F

Pressure 14.696 psia

Vapor Volume 3

379.48 ft /lb-mol

Liquid Mole Volume 77F

Building A Flowsheet 47

Metric

0°C

1.0332 2 kg/cm

22.414 m /kg-mol

SI

273.15 K

101.32 kPa

22.414 m /kg-mol

3

25C

3

298.15K

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



Click TVP and RVP Conditions... to select the Problem TVP and RVP Conditions window. The temperature for true vapor pressure specifications may be replaced in this window. The PRO/II default for TVP calculations is 10 ° F. The ca lcula tion m pressure may be selected in a drop-down list box on this window. Choices are: 

API Naphtha (the default)



API Crude



ASTM D323-73



ASTM D323-82



ASTM D4593-91



ASTM D5191-91



ASTM D323-94

Click OK.

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

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

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

To create a new set: 

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

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Figure 4-4: Units of Measure Library 

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

Figure 4-5: Create Units of Measure Set Window 

Click OK to continue.

The units for the standard dimensional unit sets in PRO/II are assigned to the new set and the edit feature may be used to customize the set. Note: An alternate way to create a new set is to highlight an existing set in the Units of Measure Set Name and Description list box and click Copy on the Units

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

To delete, rename or edit a set: 

Select the set in the Units of Measure Set Name and Description list box.



Click the Delete, Rename, or Edit button on the Units of Measure Library window.

Editing the Dimensional Unit Sets for Output Reports A dimensional unit set for output reports may be edited in two places in PRO/II: 1. Library sets are edited with the Edit... feature in the Units of Measure Library window. 2. The set being used for the current problem is edited in the Default Units of Measure of the Problem Output Report which is accessible from the PFD main window by: 

Selecting the Output menu on the menu bar.



Selecting the Report Format from the Output menu.

 Selecting Units of Measure from the Report Format menu. Editing of the dimensional items is identical for these two windows. The dimensional unit set for the output report is initialized from the global set, as previously explained. However, a different set may be chosen from the units of measure library while in the Default Units of Measure for Problem Output Report window. To use a different dimensional unit set: 

Click Initialize from UOM Library... The Initialize Units of Measure from UOM Library window appears.



Select the desired set from the drop-down list box.



Click OK to continue. This set now becomes the output report set. The newly selected output report set may be edited in this window as desired. The edited set is saved with the problem.

The Print Option for output reports may also be selected using the Output Report(s) to be Printed drop-down list box where options are: One Output Report in Input Units (the default): When this option is selected, an output report based on the units of measure used for the problem data input will be generated. The currently specified input units of measure will be displayed for informational purposes, but they cannot be changed. With this

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option, the output units of measure can only be changed by selecting the Units of Measure option from the Input menu. One Output Report in Output Units: When this option is selected, an output report based on the output units of measure specified will be generated. The currently specified output units of measure will be displayed, and they can be changed if desired. Two Output Reports, one in Input Units, one in Output Units: When this option is selected, two output reports will be generated, one each, based on the input and specified output units of measure will be generated. The currently specified output units of measure will be displayed, and they can be changed if desired. For the second and third cases discussed above, the displayed output units of measure set can be copied from the specified input units, or initialized from one of the units of measure sets stored in the units of measure library. To copy the input units of measure set to be used for the output report, or to reset the explicitly specified output units to the previously specified input units: 

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



Click OK to continue.

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

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



Click OK to continue.

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

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Setting Thermodynamic System Global Defaults To set the thermodynamic system global defaults: 

Choose Simulation Defaults from the Options menu.



Choose Thermodynamic System. The Global Default Thermodynamic System window appears.

Figure 4-6: Global Default Thermodynamic System Window 

Complete the window.



Click OK.

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

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

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To make changes to the general drawing defaults: 

Choose Options/Drawing Defaults/General... from the menu bar.

Figure 4-7: General Drawing Defaults Window

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

To turn delete confirmation off: 

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

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

To set the tolerance for this flowsheet: 

Choose Input/Flowsheet Tolerances on the menu bar to open the Tolerances dialog.

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Building A Flowsheet 53

Figure 4-8: Default Unit Specification Tolerances

Placing a Unit on the Flowsheet The PRO/II main window is your drawing board. PRO/II supplies a floating PFD palette and drawing objects that help you draw your problem quickly. The PFD palette shows icons for each unit operation that you can select to place on the flowsheet. The PFD palette appears automatically when you open a new or existing file, or when you import a keyword file.

To close or open the PFD palette: 

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

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Selecting a Unit from the PFD Palette To select a unit icon and place it on your flowsheet: 

Choose the icon from the PFD palette (see Chapter 9 for unit descriptions).



Position the cursor where you want the unit icon to appear and click the left mouse button.

Figure 4-9: Placing a Unit

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

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To turn grid snapping off: 

Choose Drawing Defaults from the Options menu.



Select General.



Select Unit Snapping. The box.

dis a ppe a rs from the Unit Snapping check

Placing Multiple Unit Icons You can place a series of unit icons in succession.

To place more than one unit at a time: 

Select the desired unit from the floating PFD palette.



Press , and while holding down , click on the PFD main window to place the icon.



While still holding down click on the PFD main window to place the second icon.



Repeat for each additional placement of this icon.

Canceling Unit Placement

To cancel unit placement: 

Click the right mouse button.

Deleting a Unit

To delete a unit already on the flowsheet: 

Click on the unit icon you want to delete.



Click delete on the toolbar, or press , or click the right mouse button and select Delete.

Re-labeling a Unit PRO/II software automatically labels each unit icon you place on the PFD main window. You can change the label for a unit by modifying the label on its data entry window or by clicking Find & Rename Units on the View menu. By default, the label consists of a character and a one-digit auto incrementing number.

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To re-label a specific unit: 

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

Figure 4-10: Unit Data Entry Window 

Type over the default name for Unit.



Click OK.

Also, you can rename one or more units through Find & Rename Units window. 

Click Find & Rename Units on the View menu. The Find & Rename Units window appears.



In the Rename field, enter the new name of the unit.



Click Preview to see the changes.



Click Apply or OK to apply the changes.

Drawing Streams Streams mode is used to lay out the connections between units and feed and product streams. The product ports for each unit automatically appear when you

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depress the Streams button. Required product ports are red, while optional product ports are green. For some unit operations, an entire side of the unit will be red or green denoting multiple connections to that port.

To use the Streams mode or display ports: 

Select Streams

on the PFD palette.

Figure 4-11: Streams Button Down The cursor changes to an arrow with a small S to indicate Streams mode. PRO/II displays the product ports for each unit in the layout. To display feed ports, depress the left mouse button while the Streams button is depressed.

To draw a feed stream: 

Click on an unoccupied area of the PFD main window.



Click the mouse on the feed port you want the incoming stream connected to.

To draw a product stream: 

Click the left mouse button on a product port.



Click the left mouse button again where you want the stream to end.

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Drawing a Connection To connect units: 

Click the left mouse button on a port to anchor or start a stream. The ports and port colors for some unit operations change depending on the port you selected.



Click the mouse again at the other unit you want to connect. PRO/II draws an orthogonal line to connect the ports.

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

Canceling a Connection To cancel a stream connection: 

Click the right mouse button or press .

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Building A Flowsheet 59

Changing a Connection To change a connection: 

Click the end (port) of the stream and hold down the mouse button.



Drag the end of the stream to a new port.



Release the mouse button.

Connecting Streams When One Unit is Not Visible In order to complete a stream connection, the ending unit for the stream segment must be visible in the PFD main window. You may open another viewport window of the same simulation and move to the end port you wish to view. Alternately, you can also use the scroll bars, the Pan View window, Search for Unit, or Search for Stream tool to display the end port.

Labeling a Stream PRO/II software automatically labels each stream you place on the PFD main window. By default, the label consists of an S followed by an auto incrementing number. You can change the label of a stream by changing it on its data entry window or on the Find and Rename Streams window.

To re-label a stream: 

Double-click the stream you want to re-label. The Stream Data window appears.



Type over the default name for Stream.



Choose OK.

This stream will now show the new label; other streams retain the original labeling scheme. Also, you can rename one or more streams through Find & Rename Streams window.    

Click Find & Rename Streams on the View menu. The Find & Rename Streams window appears. In the Rename field, enter the new name of the stream. Click Preview to see the changes. Click Apply or OK to apply the changes.

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

To move a stream: 

Click and hold the left mouse button at an end of the stream you want to move.



Drag the stream to the new location.



Release the mouse button to drop the stream in place.

Rerouting Streams As you add new connections, PRO/II automatically performs a stream route calculation. When you move a stream or a unit operation icon, this calculation may no longer be valid. You can recalculate an unobstructed, orthogonal path for selected streams.

To reroute a stream: 

Select the stream(s) you want to reroute.



Choose Reroute from the Edit menu.

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

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

To search for a unit: 



Click or click Find & Rename Units on the View menu. The Find & Rename Units window appears, showing the names of all the units currently placed on the flowsheet diagram. Select the unit you want to go to. The unit appears at the center of the PRO/II main window.

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To search for a stream: 



Click or click Find & Rename streams on the View menu. The Find & Rename Streams window appears, showing the names of all the streams currently placed on the flow diagram. Select the stream you want to go to. The stream appears at the center of the PFD.

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

Drawing Freehand Objects PRO/II provides six objects that you can place on the flow diagram, to customize the look and increase understanding of the flow diagram without interfering with simulation data. These objects are: 

Text



Line



Polygon



Rectangle



Ellipse



Page

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

To place text: 

Choose Draw/Text from the menu bar.

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Figure 4-13: Draw Text Window 

Enter the text you want to appear on the diagram.



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



Choose OK.

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

To draw a line: 

Choose Line from the Draw menu.



Click and hold the mouse button on the PFD main window to anchor the line.



Press to set each anchor point for drawing in a new direction.



Release the mouse button to complete your line.

To draw orthogonal connected lines: 

Choose Line from the Draw menu.



Click and hold the mouse button on the PFD main window to anchor the line.



Press and hold , and while holding down , drag the cursor.



Press to set each anchor point for drawing in a new direction.



Release the mouse button to complete.

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Building A Flowsheet 63

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

To draw a polygon: 

Choose Polygon from the Draw menu.



Click and hold down the mouse button on the PFD main window.



Press to each anchor point for drawing in a new direction.



Release the mouse button to complete your object.

To draw an orthogonal polygon: 

Choose Polygon from the Draw menu.



Click and hold the mouse button on the PFD main window.



Press and hold , and while holding down , drag the cursor.



Press to each anchor point for drawing in a new direction.



Release the mouse button to complete your orthogonal polygon.

To draw a rectangle or ellipse: 

Choose Rectangle or Ellipse from the Draw menu.



Click and hold down the mouse button on the PFD main window.



Drag and release when you see the desired size rectangle.

To draw a square or circle: 

Choose Rectangle or Ellipse from the Draw menu.



Click and hold down the mouse button on the PFD main window.



Press then drag and release the mouse button to complete your square.

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

To add a page: 

Choose Page from the Draw menu.

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

Click on the PFD.



Drag and release the mouse button to the desired size.

The page name is automatically given as PG followed by an auto incrementing three-digit number.

Figure 4-14: Pages

To change the page setup options: 

Double-click anywhere along the page border. This brings up the Page Setup window.



Select your page setup options.



Click OK to continue.

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

To resize the page: 

Click near the page outline to highlight the page.



Click and drag the sizing box.

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Building A Flowsheet 65

To move the page: 

Click and drag the page outline to a new location.

To make a grid of pages: 

Select the page by clicking near the page outline.



Double-click the left mouse button to display the Page Setup window.



Click on the radio button labeled Grid in the Change Page Parameters group box.



In the Page/Grid group box, select the radio button for Multiple Pages.



Change the number of rows and columns to make a grid of pages on the PFD. The page you started with will be the upper left cell of the grid.

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

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

Selecting Objects or Groups of Objects You can select a single object, multiple (noncontiguous) objects, or a group of objects. Objects or groups of objects include units, streams and drawn objects. All manipulations (delete, rotate, move) are performed on selected objects.

Selecting Multiple Objects You can select a set of noncontiguous objects.

To select a set of individual objects: 

Click on the first object.



Press .



While holding down , click on each object you want to include as part of this set.

Figure 5-1: Multiple Unit Selection Handles Handles appear for the set of objects. For example, although five objects appear to be selected as part of this set (Figure 5-1), when you move the selection, the

Chapter 5

Manipulating Objects 67

fourth and fifth objects (the valve and the compressor) do not move with the set (Figure 5-2).

Figure 5-2: Move Multiple Objects

Selecting a Group of Objects You can gather a group of contiguous objects by dragging a selection rectangle around them.

To select a contiguous group of objects: 

Click on an unoccupied area of the PFD adjacent to one of the items you want to select and begin dragging the cursor by moving your mouse.



Drag the cursor until all desired objects are inside the selection rectangle outline.



Release the mouse button to end the selection.



Handles appear for the selected group of objects.

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

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To select all objects on the flowsheet: 

Choose Select All from the Edit menu.

Deselecting Objects If you change your mind after selecting objects, you can reverse any selection. To deselect or unselect all objects in the layout, do one of the following: 

Choose Select None from the Edit menu.



Click on another item or on an unoccupied area of the PFD.

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

Changing the Size of a Selected Object When changing the width of a group of objects, you change the absolute distance between the objects and maintain the relative distance. To change the size of an object: 

Click and drag the cursor until the object is the desired size.



Release the mouse button.

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Manipulating Objects 69

Figure 5-3: Resize Column Note: Condensers and reboilers shown on distillation or side columns are fixed in size. They do not resize when you change the size of the column.

Restoring Unit Icon Size If you don’t like how your resized icon looks (relative to other icons and objects on your flowsheet) you can quickly return the icon to its default size. To restore an icon to its original size: 

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

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

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

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To move a selected object: 

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



Release the mouse button.

Setting Move Tolerance Move Tolerance controls the incremental distance for any object you move. The default is 5 pixels. To change move tolerance: 

Choose Drawing Defaults from the Options menu, then General.

The General Drawing Defaults window appears. 

Type the desired value over the default Move Tolerance.



Choose OK.

Rotating Selected Objects You can rotate a selected object(s) on its axis by 90, 180 or 270 degrees. To rotate a selected object: 

Choose Rotate from the Edit menu. The Rotate degrees cascade menu appears to the right of the Edit menu.



Choose 90, 180, or 270.

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

Flipping Selected Objects You can flip a selected object(s) horizontally or vertically to better orient the object(s) relative to other objects of the diagram. To flip a selected object: 

Select an object(s).



Choose Flip from the Edit menu. The Flip options menu appears to the right of the Edit menu.



Choose Horizontal or Vertical.

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

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Editing Text You can change the text, size and or rotation of any text object you placed on the PFD main window. To edit text: 

Double-click on the text object you want to change. The Draw Text window appears.



Edit as desired and choose OK.

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

Select the text you want to align (you must select at least two) by clicking on the first text box, then click other boxes while holding down the key.



Choose Align Text from the Edit menu. The align menu pop-up appears to the right of the Edit menu.



Choose Left, Center or Right.

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Chapter 6 Viewing Flowsheet Contents PRO/II offers a variety of tools that aid you in viewing your flowsheet contents: 

Horizontal and vertical scroll bars allow you to change the visible portion of the process flow diagram in the PFD main window.



You may open additional viewport windows of your current flowsheet to display different views of your simulation.

 The Pan View window is a special feature of PRO/II that enables you to see a thumbnail of the entire flowsheet and use a bounding box in the thumbnail to move the visible area. This chapter describes how to use the PRO/II scroll, pan, and multiple viewport features to display portions of your flowsheet diagram in the PFD.

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

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

Zooming You can access the PRO/II zoom features from the View menu, using the zoom buttons on the toolbar, or using the keyboard. To zoom in or out, do one of the following: 

Click



Choose Zoom In or Zoom Out from the View menu.



Choose or to Zoom in or Zoom out the PFD.

on the toolbar.

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

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Viewing Flowsheet Contents 73

To zoom in on a specific area of the flowsheet: 

Click



Click and drag the mouse to encompass the desired area within the selection rectangle outline.



Release to complete the zoom area operation. The selected area fills the PFD.

on the toolbar or choose Zoom Area from the View menu.

Zooming to Show the Full Flowsheet You can quickly display the entire flowsheet in the PFD. To use zoom to show the full flowsheet, do one of the following: 

Click



Choose Zoom Full from the View menu.



Press .

on the toolbar.

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

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Opening Multiple Viewport Windows You can open multiple viewports of a single simulation problem to display different views of the flowsheet. To open an additional viewport of the current simulation problem, do one of the following: 

Click Multiple Viewports Window menu.

on the toolbar or choose New View on the

Note: If the multiple viewports button is not displayed on your toolbar, check the Standard menu option from the View/Toolbar menu.

Figure 6-1: Multiple Viewports

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

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To redraw the diagram, do one of the following: 

Click



Choose Redraw on the View menu.



Press .

on the toolbar.

Panning You can pan the contents of the PRO/II main window using the Pan window or the Small Pan or Large Pan options on the View menu. The Pan View window is a thumbprint of the entire flowsheet. A bounding box identifies the area of the flowsheet currently visible in the PFD main window. You move the bounding box or change its size to change how much or what portion of the flowsheet you see in the PFD. From the View menu, you can pan in large or small increments: up, down, left, or right. You can change the settings for the pan increment in the General Drawing Defaults window.

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Displaying and Hiding the Pan View Window To display the Pan View window: 

Click

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

Figure 6-2: Pan View Window

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

Moving the Bounding Box To move the bounding box: 

Click the mouse inside the box.



Drag to a new location. The area enclosed fills the PFD.

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

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Changing the Size of the Bounding Box To change the size of the bounding box: 

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

Panning - Using the Menu Options You can pan the image in the PFD up, down, left, or right using the panning options on the Zoom menu. To pan the image a large or small amount: 

Choose Large Pan or Small Pan from the View menu. The pop-up menu appears.



Choose Left, Right, Up, or Down.

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

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

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

Defining the simulation problem



Selecting the components for the simulation



Setting the thermodynamic methods for the simulation

Note: Chapter 8, Specifying Component, Thermodynamic and Stream Data, and Chapter 9, Unit Operations and Utility Modules, provide explicit details on the use of the data entry windows introduced in this chapter. A summary of the Data Entry Window buttons available on the PRO/II toolbar is provided below. Button

Chapter 7

Menu Item

Description

Problem Description

Enables you to describe the current simulation and relate it to a specific project.

Units of Measure

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

Component Selection

Enables you to specify the components and pseudo-components you want to use in the current simulation

Component Properties

Enables you to supply component properties.

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Thermodynamic Data

Enables you to select thermodynamic methods for the current simulation.

Assay Characterization

Enables you to modify TBP cut points and characterization options for the generation of pseudo-components from Assay streams.

Procedure Data

Enables you to supply FORTRAN code for kinetic reaction rate calculations without the need for compilation and linking.

Case Study Specification

Allows you to perform studies on a base case solution by altering parameters selectively and rerunning.

Reaction Data

Enables you to define reactions and provide heat of reaction, equilibrium, or kinetic data for reaction sets.

Calculation Sequence

Enables you to specify a user-defined calculation sequence.

Recycle Convergence

Enables you to specify user-defined recycle convergence and acceleration options.

Selecting Components Use this option to select the components and pseudo-components that you want to include in this simulation.

To select components for use in this simulation: 

Click on the toolbar or choose Component Selection on the Input menu. The Component Selection window appears.

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Figure 7-1: Component Selection 

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

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

on the toolbar or choose Component Properties from the Input Click menu. The Component Property Modification window appears.

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Figure 7-2: Component Property Modification

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

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To set thermodynamic calculation methods for this simulation: 

Click menu.

on the toolbar or choose Thermodynamic Data on the Input

Figure 7-3: Thermodynamic Data You can specify a predefined system of thermodynamic calculation methods. 

Select a category of predefined systems. PRO/II displays the predefined systems for this category in the Primary Method list box.



Select a predefined system from the Primary Method list box.



Choose Add-> to define the calculation method.

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Selecting Assay Data You use this option to modify the data obtained from the selected Assay Set. To select assay data for this simulation: 

Click menu.

on the toolbar or choose Assay Characterization on the Input

Figure 7-4: Assay Cut points and Characterization PRO/II always supplies the Primary TBP cut point set. You can modify the primary set or define a new cut point set or set characterization options.

Specifying Reaction Data You use this option to define reactions and enter heat of reaction, equilibrium, or kinetic data for reaction data sets. To specify reaction data sets for this simulation: 

Click on the toolbar, or choose Reaction Data on the Input menu to open the main Reaction Data window.

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

Add a new Reaction Set Name or highlight an existing one.



If desired, enter an optional description.

Figure 7-5: Main Reaction Set Window 

Click the Enter Data… button to open the Reaction Definitions dialog.

Figure 7-6: Reaction Definitions Dialog

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Specifying Reaction Procedure Data Use this option to create procedure blocks to calculate kinetic reaction rates. You are able to supply FORTRAN code for the reaction rate calculations without the need for compilation and linking. To select procedure data for this simulation: 

Click

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

Figure 7-7: Main Procedure Data Window 

Click a number at the left of a line to select an existing procedure or to add a new one.



If desired, enter an optional description.



Click the Enter Data… button at the right end of the line to open the Kinetic Procedure – Definition dialog. Write the code for performing the Kinetic calculations in this dialog.



Click OK to save the procedure and exit the dialog.

Specifying Multiple Simulations for Case Study Use this option to make changes to input data and then examine the effect of those changes on the values of calculated data or functions of calculated data. To select case study data for this simulation: 

Click menu.



Check the Define Case Study box.

on the toolbar or choose Case Study Data from the Input

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Figure 7-8: Case Study Specification Dialog

Setting the Problem Calculation Sequence PRO/II performs a simulation by solving one unit operation at a time, following a certain calculation sequence to reach the problem solution. Use this option to specify the method to determine this calculation sequence for the current problem.

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

To select calculation sequence for this simulation, Click on the toolbar or choose Calculation Sequence from the Input menu.

Figure 7-9: Calculation Sequence Dialog 

If required, select a different Sequence Method.



To exclude a unit operation from the calculations, clear its corresponding check box in the Sequence map.

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

To include an excluded unit operation, select its corresponding check box in the sequence map.



To see the included or excluded units, select one of the following options in the Show Units list box: All Units, Excluded Units, and Included Units.



To expand or collapse the the loops and unit operations tree in the Sequence map, click one of the following buttons:

.



To search a unit operation in the Sequence map, type the full or partial name of the unit operation in the Search box.



To navigate through the Sequence map, use the following buttons: .



To search a unit operation by typing the initial part of its name, select the following check box:

.

Note: If there are any crossings among the recycle or control loops, they are highlighted in red color in the Sequence map.

Specifying Recycle Convergence You use this option to override the recycle loop sequence determined by PRO/II, and to specify acceleration methods and convergence tolerances for individual loops. Note: This window is not available if you select the SIMSCI method for Calculation Sequencing, since the loops are determined automatically by this method. To select recycle convergence for this simulation: 

Click menu.

Chapter 7

on the toolbar or choose Recycle Convergence on the Input

Data Entry WIndows 89

Figure 7-10: Recycle Convergence Options

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

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

Description Displays context-sensitive help for the active data entry field or for the window itself (if there is no active field). Displays the main help window for the data entry window. Displays the results of the data consistency checks performed for the main window after you choose OK. Selects a unit of measure set for the selected data entry field. References one stream or unit parameter value to another stream or unit parameter. Displays the valid range of values for the active data entry field. Displays the notes, associated with the unit.

Grids and the X-Y Grid Grids are used to supply data in tabular form. There may be several rows of related data entries. An X-Y Grid is a special type of grid that is used to supply data for relational curves. The two-grid columns contain an independent variable (x) and one related dependent variable (y). The Column Tray Hydraulics window shown below is an example of a grid. Notice that it provides columns for the starting tray number, ending tray number, calculation type, and entry of tray data. Each row has a numbered click button which is used to select the row for toolbar actions. For this example, several types of data entry devices are used in the grid.

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

Figure 7-11: Column Tray Hydraulics Window Observe that four rows are provided in the initial grid corresponding to five sections in the column. This may be expanded by clicking a row number button and then clicking the Insert button. A row will be added below the selected row. When the number of rows exceeds five, a scroll bar appears at the right side of the grid to provide access to the rows not displayed. To deselect a row, click the number button of the previously selected row, or select a different row. To clear data entries from a row, click the row number button and then click Reset. To remove a row, click the row number button and the Cut button.

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As another example, the Compressor Outlet Pressure Performance window shown below contains an X-Y grid for a user-supplied compressor pressure curve.

Figure 7-12: Compressor Outlet Pressure Performance Window Notice that two columns are used for the pressure curve. The first column is the volumetric feed rate and the second column is the corresponding outlet pressure from the compressor. Four individual entries or cells corresponding to two rows in the table are marked with a red border as mandatory input. Optionally, more pairs of information may be provided. The initial grid displays four pairs of cells. Note that each row in the grid has a numbered click button which may be used to select the row. The initial table may be expanded with the Insert button on the toolbar as described in the previous example. When the number of rows in the X-Y grid exceeds four, a scroll bar appears to provide access to rows not displayed. A row may be deleted from the grid by clicking its number button and then clicking Cut. To copy a row, first click its number button and then click Copy. The row is copied into the clipboard. Next, click the row number button for the row which will be just below the copied row. Complete the copy by clicking Paste to insert a copy of the row from the clipboard.

Linked text Linked text is used to input information in a sentence format. Numeric values, mathematical operators, stream or unit names, or various options may be

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Data Entry WIndows 93

supplied as linked text. Linked text may serve to access another data entry device. The Feedback Controller data entry window containing linked text is shown in Figure 7-12.

Figure 7-13: Feedback Controller Main Data Entry Window - Initial Display Linked text is used on this window to define the Specification and Variable. Parameter and Value texts in red require you to click them and provide data. The text string the default tolerance is green, denoting a default value. Optionally, a different tolerance may be provided by clicking the afore-mentioned text string to open the Specification Tolerance window, where the appropriate radio button may be clicked to select a new tolerance type, i.e., relative tolerance. Click OK to return to the Feedback Controller window. Notice the relative tolerance text string turns blue, to indicate a user-supplied value. When the value text string is clicked, a floating point entry field for the specification value is displayed with a red border signifying mandatory input. The value you supply is now displayed in blue numbers instead of the value text string.

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

Figure 7-14: Feedback Controller Data Entry Window - Final Display

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

Component Data General Information PRO/II provides considerable flexibility in the definition of component data. No limit is set on the number of components which may be used for any problem. Furthermore, component data may originate from a variety of sources such as SIMSCI databanks, user-prepared databanks, user-defined components, and components derived from petroleum assay data for feed streams. Moreover, you may stipulate a preferential search order when multiple databanks are used. The SIMSCI databanks, SIMSCI and PROCESS, contain more than 1700 components and are adequate for nearly all simulation models. The AIChE DIPPR databank is also available as an add-on to PRO/II. User databanks of thermo-physical data can be created, using SIMSCI LIBMGR and the Thermodynamic Data Manager (TDM) programs, and maintained through PRO/II graphical user interface. SIMSCI REGRESS is fully supported in TDM and PRO/II, and provides the capability of regressing experimental thermo-physical data to fit model equations.

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

on the toolbar, or select the menu bar item Input/Component Click Selection. The Component Selection window appears.

If you know the library access name for a component, you may enter it directly into the data entry field. Click Add-> or press to retrieve the component

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from the component databank and add it to the List of Selected Components. If the component cannot be located by the name you have entered, a warning will recommend that you use the Select from Lists… feature to locate the component in the SIMSCI and PROCESS databanks: 

Click Select from Lists… on the Component Selection main data entry window to open the Component Selection -List/ Search window.



Select a Component Family from the like-named drop-down list box. A large number of component families are provided to speed the search. A brief description is given below:

Most Commonly Used: Approximately 100 components representing all of the pure components commonly encountered in natural gas and petroleum processing. Hydrocarbon Light ends: Light gases commonly reported on analysis for oil refinery streams. All Components: Every component in the SIMSCI and PROCESS databanks. Password Protected Libraries: Component properties taken from password protected libraries are shown with text “PROT” in GUI. Families of Specific Chemical Type: Twenty families in alphabetical order:

Acids

Additional Electrolyte Components

Alcohols

Aldehydes

Amides

Amines

Aromatic Hydrocarbons

Elements

Esters

Ethers

Halogenated Derivatives

Ketones

Miscellaneous

Naphthenic Hydrocarbons

Other Nitrogen Derivatives

Paraffinic Hydrocarbons

Salts and Minerals

Silicon Derivatives

Sulfur Derivatives

Unsaturated Hydrocarbons

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

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Specifying Component, Thermodynamic, and Stream Data 97

Component Selection main window and to transfer the components to the List of Selected Components. The priority order for databanks may be defined by pushing the Databank Hierarchy button on the Component Selection main window to access the Component Selection – Databank Search Order window. This window initially displays the default search order and may be modified to search the databanks in any order. Components are always selected from the first databank in the search order in which they appear. Note: The newly added libraries and databank names in TDM can be recognized in this dialog box by Library Name: Databank Name.

Entering User-defined Components You may want to enter a component as a user-defined component when you wish to use a component that is not in the PRO/II library. 

Enter user-defined components by clicking User-defined… on the Component Selection main window to access the Component Definition User Defined window.



Type in the name of the user-defined component in the Component Name entry field.



Click OK to commit the new component name.

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

Defining Petroleum (PETRO) Components Define PETRO components by clicking Petroleum… on the Component Selection main window to access the Component Selection – Petroleum Components window. You may define any number of PETRO components in a single visit to this window by using the tabular input provided. You must supply at least two of the three correlating properties, normal boiling point, standard liquid density, and molecular weight for each component. Names may be optionally provided or will be supplied by PRO/II as NBP XXX where XXX is the component normal boiling point. PRO/II uses internal correlations to estimate the third parameter, when missing. All necessary physical and thermodynamic properties are computed from the three correlating properties. Molecular weight is the most difficult property to predict accurately from generalized correlations and should be supplied when possible, for the most accurate characterization for a PETRO component.

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

Defining Solid Components You can enter inputs for solid characteristics directly into PRO/II. You may specify stream properties, the particle size distribution, and the particle properties. PRO/II also allows you to input experimental solids solubility data. To add a solid component to the flowsheet: 

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



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

In a flowsheet that includes unit operations that require particle size distributions (e.g., Cyclone, Dissolver, Crystallizer), choose Input/Component Property Data from the menu bar. In the like-named window, click Particle Size Distribution… to open the Particle Size Distribution for Solids window. Enter PSD cut points for all relevant solid components. Particle size grades are bounded by the cut points that are entered here. Grades will not be created on the open ends of the first and last cut points (i.e., if the cut points are 10 and 20 microns, there will be one grade of 10 to 20 microns, not three grades of less than 10, 10 to 20, and greater than 20 microns). To change the units of measure for the particle size distribution, click in any of the Distribution Ranges entry fields to enable the UOM button in the toolbar at the top of the window.

Deleting and Renaming Component Properties Currently, actions on components that appear in the List of Selected Components in the Component Selection main window are limited to deletion or renaming of components. To delete a component: 

Highlight the name of component in the List of Selected Components.



Click Delete.

To rename a component for printout purposes: 

Highlight the component.

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Specifying Component, Thermodynamic, and Stream Data 99



Click Rename… to open the Rename a Component window.



Enter the new name in the data entry field.

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

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

on

The Component Properties window is the master navigation point for changing all component properties. Component properties taken from password protected libraries are shown with text “PROT” in GUI and users are not allowed to modify this data. Note: Component properties cannot be defined before the component names have been entered. There are three methods available for component property modification:

Method 1: Specifying Fixed Properties Click Fixed… to open the Components Properties-Fixed Properties window. Here, you can modify fixed component properties such as molecular weight, critical temperature and NBP. With the exception of assay components, all components can be modified via this window. For those properties having UOM's, all data is displayed with the UOM’s of the current problem. Starting from this window, use the appropriate button to modify other properties: 

Click Critical Properties… to specify critical temperature, critical pressure, critical volume and critical compressibility factor.



Click Molecular Constants… to specify properties such as Dipole Moment, Radius of Gyration, van der Waals Area parameter and van der Waals Volume parameter.



Click Heats of Formation… to specify Enthalpy of Formation and Gibbs Energy of Formation. In this entry, reference phase designation is a required input. The reference phase can be vapor, liquid or solid. Vapor phase is the default.



Click Miscellaneous Properties to specify Acentric Factor, Solubility Parameter, Rackett Parameter, Liquid Molar Volume, Heat of Vaporization, Heat of Fusion, Normal Melting Point, Triple Point Temperature, Triple Point Pressure, Heat of Combustion, Gross Heating

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

Method 2: Specifying Temperature-dependent Properties You may enter or override default data for properties that change with temperature, such as density and viscosity, for the vapor, liquid or solid phases of the pure components in your simulation. You may supply new data in the form of tables or as correlation coefficients of one of 29 different equation types. Click Temperature Dependent to open the Component Properties –Temperature Dependent Properties window. All the library and user-defined components from the current problem are displayed. To enter or modify data for a property of a component, click on the corresponding push button for that component. For properties that may apply to more than one phase, you will first be required to select the phase for which you are to supply data in the Component Properties – Phase window, 

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



Click H to enter or modify vapor, liquid or solid enthalpy data



Click Cp to enter or modify solid heat capacity data



Click ∆Ην to enter or modify latent heat data



Click ρto enter or modify liquid or solid density data



Click µto enter or modify vapor or liquid viscosity data



Click κto enter or modify vapor, liquid or solid conductivity data



Click σ to enter or modify liquid surface tension data

In the Component Properties - Data Source Selection window, choose the method of data entry. You may enter data either in tabular form or as coefficients for one of as many as 29 equations. If you choose the Correlation Coefficients option, you may display the form of the equation by selecting the appropriate Correlation Number in the like-named dropdown list. 

Select one of the correlations and supply coefficients as required. If the form of the equation is logarithmic, you may select the base of the logarithm. You may change the units of the equation and may impose maximum and minimum temperatures of applicability.

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Note: The full range of equations can be found in the online PRO/II Reference Manual accessible via the Help system. If you choose an equation that is not standard, a message to that effect appears, and the border of the drop-down list box will be yellow. If you choose the Tabular Data option, the Component Properties –Tabular Data window appears. 

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

PRO/II and TDM Integration Physical and Thermodynamic data of a chemical component has a profound impact on the design and operation of a unit operation in a process industry. Users of PRO/II may utilize their own component data by using the Thermodynamic Data Manager (TDM program) to prepare the data; then use the LIBMGR program to store it in databases suitable for use by PRO/II. PRO/II in turn retrieves data from these libraries through library names and alias. 

LIBMGR – For managing user-defined pure component and binary libraries.



TDM (Thermodynamic Data Manager) – For reviewing and modifying pure component data



REGRESS (now available from both TDM and PRO/II)– For generating pure and binary interaction parameter data from experimental information.



Reporting – For publishing and archiving component and binary data

Current versions of PRO/II are integrated with the Thermodynamic Data Manager (TDM). This integration provides the following advantages to all PRO/II users. 

PRO/II can access data from the TDM-defined libraries as well as the default edlib.lb library provided by SIMSCI and installed with PRO/II.



Users can launch TDM GUI in different modes to define new libraries and databanks within libraries.



The Thermodynamic Data Manager incorporates REGRESS functionality, so all data preparation activities may be performed within the single TDM program.



Due to new library naming conventions, different versions of libraries now may co-exist in the same directory. This means, for example, a PRO/II version 7 library and a PRO/II version 8 library both may be used. It no longer is necessary to always replace older libraries with the newest version.

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Working with TDM provides these additional advantages: 

TDM allows users to build customized libraries containing pure component data as well as unary and binary thermodynamic parameters.



TDM can generate and display a variety of temperature-dependent graphical plots of tabulated data results.



Multiple databanks may be defined and available in a single library file.



TDM replaces DATAPREP (now obsolete) and includes REGRESS functionality.

New Keyword Format for Declaring Library Data Banks The integration of PRO/II with TDM facilitates the simultaneous use of several libraries, each containing multiple databanks. Consequently, a new keyword input syntax now requires entering both the library (file) name in addition to the individual data bank name. This has the form: LibraryId: DatabankId For example, the former declaration of : BANK=SIMSCI, PROCESS

Now may be fully declared as:

BANK= PROII_8.2:SIMSCI, PROII_8.2:PROCESS

Note: The ID of the library shipped with PRO/II changes with each major version. Refer to the PRO/II Installagion Notes for the current library identifiers. The colon ( : ) between LibraryId and DatabankId always is required. In the PROVISION Graphical User Interface, Library ID’s Component Selection and Thermodynamic Data - Databank Search Order dialog box, the newly added and existing libraries and databank names in TDM can be viewed. Users can select and add the libraries and data banks for the current simulation. Note: Refer to the Thermo Data Manager User Guide for detailed explanation on its functionalities.

Method 3: Specifying Fill From Structure The Fill from Structure button opens the Components Properties – Fill from Structure window. The Available Components list on the left side contains library and user-defined components from the current problem. You may add or remove components to be filled from structure to the like-named list on the right. Click ΟΚ to have the properties of the selected components filled from structure. PRO/II predicts properties from structure using established correlations and techniques. Joback (1985) significantly expanded the work of Lyderson (1955) in this area providing a group contribution method for the prediction of critical

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Specifying Component, Thermodynamic, and Stream Data 103

properties, boiling point, freezing point, ideal gas capacity, enthalpy, and Gibbs heat of formation. Joback used a4 large database of components to statistically determine group parameters for 42 different functional groups. SIMSCI has extended this work to include several missing parameters. To complete the Fill from Structure procedure, click UNIFAC Structures… on the Component Properties window to display the like-named window. A UNIFAC Structure entry is mandatory for all components for which Fill from Structure has been requested. Click UNIFAC Structures… adjacent to the component of interest to open the Define UNIFAC Structure window where you may choose from families of components or from the UNIFAC group number directly.

Assay Data General Information For many petroleum-based streams, the composition is not fully known in terms of defined components. These stocks must be characterized by pseudocomponents for which the necessary physical and thermodynamic properties have been estimated. PRO/II has extensive procedures for the translation of petroleum stream laboratory assay data into pseudo components. Pseudo-components are based on boiling point or “cut point” ranges on the true boiling point (TBP) distillation for the stock. The normal boiling point for a pseudo-component is defined as the weighted average temperature of its cut point range. The TBP distillation must often be derived from another type of laboratory distillation, using a conversion procedure. PRO/II accepts the following types of laboratory distillations: TBP, ASTM D1160, ASTM D86, and ASTM D2887. While laboratory distillations are usually reported on a 760 mm Hg basis, PRO/II has procedures to correct distillations for other laboratory pressures. Estimated values for the standard liquid gravity and molecular weight for each pseudo-component are also needed for the characterization process. The standard liquid gravity for each pseudo-component is derived from the gravity curve for the stream, in similar fashion to the normal boiling point. The gravity curve for the stream is often not available, and it must be estimated, based on the average stream gravity and the distillation curve. The molecular weight curve is seldom available, and the molecular weight for each pseudo-component is usually predicted from its normal boiling point and standard liquid gravity. All other required physical and thermodynamic properties may be estimated from the normal boiling point, standard liquid gravity, and molecular weight. The use of assay data in PRO/II is divided into two logical steps. The first step involves the definition of the cut point ranges and selection of the characterization options used in development of the pseudo components. Characterization options include distillation curve fitting and conversion methods, gravity curve generation procedure, methods for prediction of molecular weight,

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and methods for estimation of critical properties and ideal gas enthalpies. If the default cut point ranges and methods furnished by PRO/II are acceptable, this step may be omitted. The properties for all pseudo-components derived from the same cut point set are averaged, based on the stream flows, to develop a common set of blend components. This technique provides reasonable results when the streams have similar chemical natures. For example, all of the assay streams are products from the crude distillation unit. However, when assay streams are dissimilar chemically, such as virgin materials and cracked materials, there may be serious errors in the characterizations for the streams when a single set of blend components is used. For this reason, you are allowed to define additional cut point sets. For example, an additional cut point set may be defined to represent the products from an FCC reactor. Note that it is not necessary or desirable to define a separate cut point set for each assay stream. Similar streams may be grouped by using the same cut point set without a serious loss of accuracy. This also minimizes the number of components in the simulation, keeping calculation times smaller. The second step is supplying the petroleum stream laboratory assay data to PRO/II. This step is accomplished in the setup of initial feed streams and is discussed in the Stream Data section of this chapter.

TBP Cut point Sets TBP cut point sets are defined in the Assay Cut points and Characterization main data entry window. This window may be reached from the PFD main window in two ways: •

with the distillation pseudo-component curve on the toolbar, or Click select the menu bar item Input, then select the menu item Assay Characterization.

A Primary Cut point Set is always provided as a default by PRO/II. This set has the following cut point definitions: Cut point Range, Deg F

Cut point Range, Deg C

No of Cuts

100 - 800

38 - 427

28

800 - 1200

427 - 649

8

1200 - 1600

649 - 871

4

The default cut point ranges are usually reasonable for crude oil problems. They may be modified in the Assay Data Primary TBP Cut points Definition window which is accessed by clicking Modify... on the Assay Cut points and

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Characterization main data entry window. A convenient tabular form is provided for editing of the primary cut point set. Additional or Secondary cut point sets may be added to the problem by clicking Define New Cut point Set... on the Assay Cut points and Characterization main data entry window to access the Assay Data Secondary Set of TBP Cuts. A cut point set name is supplied on this window and a tabular entry form is provided for definition of the cut points. This window is also used to modify existing secondary cut point sets and is accessed by clicking Modify on the Assay Cut points and Characterization main data entry window and highlighting a secondary cut point set in the Defined Secondary Sets list box, on the Assay Cut points and Characterization main data entry window. Highlighted secondary cut point sets in the Assay Cut points and Characterization main data entry window may be deleted by clicking Delete.... This action removes the secondary cut point set from the problem. The Default Cut point Set is used for all streams for which a cut point set is not specified. Initially, it is defined as the Primary Cut point Set by PRO/II. After one or more Secondary cut point sets have been defined, the default cut point set may be changed via the drop-down list box on the Assay Cut points and Characterization main data entry window. It is convenient to define the cut point set which is used the most often as the default cut point set.

Assay Characterization Options Assay characterization options are selected on the Assay Characterization Options window which is reached by clicking Characterization Options on the Assay Cut points and Characterization main data entry window. Several groupings of options are shown in this window, with all options selectable with radio buttons. The option groups are as follows: Criticals, Ideal-Gas Enthalpy: SIMSCI (Twu) method (the default), Cavett method, or Lee-Kesler method, Cav80, Extended 1980 API and Heavy Oil. Molecular Weight: SIMSCI (Twu) method (the default), Old (1967) API method, or Extended 1980 API method, Lee-Kesler, Cav80 and Heavy Oil. Gravity Curve Generation Method: Constant Watson K from TBP Curve (default), or Constant Watson K from D86 Curve. Heat of Formation: Current or Version 9.1 Distillation Curve Inter-conversions: API 1987 (the default), API 1963, API 1994, or Edmister-Okamoto.

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Fitting Procedure: Cubic Spline, Quadratic Polynomials, or Probability Density Function (PDF), Alternate Cubic spline (default). Distillation Boundaries: Initial Point and End Point percentages. Include in PDF: Include Initial Boiling Point in fit, and/or include End Point in fit. Calculation of NBP for Cuts: Liquid Volume Average (default) or Temperature Midpoint. Curve Fit: Current or Version 8 or Version 6 The characterization options are explained in greater detail in the PRO/II help text and the online PRO/II Reference Manual accessed via the Help menu. Version 6 was the only available option until the Improved method was implemented for PRO/II version 7.0. This was renamed the Version 8 method and became the default in PRO/II 8.0. In PRO/II 8.1, yet another improvement was made and now is called the Current option. The Current option always will be the default, even if upgraded. In the future, when the Current option is upgraded, the older Current method will be renamed and be made available as a new option.

Thermodynamic Data General Information The selection of appropriate thermodynamic methods is an important and necessary step in the solution of flowsheet problems. PRO/II provides a wide range of methods to allow solution of the wide variety of systems which occur in the chemical process industries. Thermodynamic properties are an integral part of the flowsheet calculations. The equilibrium K-values (both VLE and LLE) are used to determine the phase separations. The enthalpies for the streams are used to determine the energy required to take a system of components from one set of thermal conditions to another. Entropies are used in the calculation of the isentropic operations and the Gibbs free energy minimization reactor. Liquid and vapor densities are used in heat transfer, pressure drop, and column tray sizing. Transport properties are selected in conjunction with the thermodynamic methods in PRO/II and are comprised of liquid and vapor viscosities, liquid and vapor thermal conductivities, and liquid diffusivities. While not strictly a transport property, liquid surface tension is also included. Transport properties find use in rigorous heat transfer calculations, pressure drop determination, and column sieve tray and packing calculations. Transport properties are also reported in the stream properties reports and may be requested in Heating/Cooling Curves reports.

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In PRO/II, the selection of thermodynamic methods has been simplified by the concept of the method set. Method sets consist of predefined thermodynamic methods for K-values (VLE and LLE), liquid and vapor enthalpies, entropies, vapor fugacities, and densities. Numerous predefined sets are provided. Multiple thermodynamic method sets may be selected for each flowsheet. For example, a default set may be specified for the overall flowsheet and other method sets used for individual units. A facility is also provided to modify the thermodynamic methods in the predefined method sets. Certain parameters for some of the thermodynamic methods may also be supplied.

Selecting Predefined Method Sets Selection of thermodynamic method sets is accomplished via the Thermodynamic Data window which may reached from the PFD main window in two ways: 

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

For convenience, several Categories of method sets can be selected in the list box on the Thermodynamic Data window. The Primary Method, i.e., the method used for calculation of equilibrium K-values, for each method set in the selected Category appears in a drop-down list box and may be selected to add the method set to the Defined Systems for the problem. The Defined Systems appear in a list box and each may be selected for further action by highlighting the desired method and clicking Modify..., Delete..., Duplicate and Rename... on the Thermodynamic Data window. The method set for which action is to be taken is selected (highlighted) in the Defined Systems list box. Delete removes the selected method set from the problem. Duplicate creates a copy of the selected method set. This is useful when it is desired to copy the existing thermo system and make minor changes to it. The Rename option is used to change the name of the selected method set. This is useful when it is desired to use a method set more than one time in a problem, perhaps with different parameters. Modification of method sets is discussed later in this section. The following Categories of method sets are provided: Most Commonly Used: These method sets may be used for a wide variety of problems. Nearly all gas processing and oil refining calculations are handled satisfactorily. Method sets in this category are: Soave-Redlich- Kwong (SRK), Peng-Robinson (PR), Grayson-Streed (GS), Braun K-10 (BK10), Ideal, NRTL, UNIQUAC, and UNIFAC.

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Equations of State: Equations of state are applicable to wide ranges of temperatures and pressures. They can be used to calculate all thermodynamic properties, using the ideal gas state as the reference state. The cubic equations, in particular, are able to accurately predict critical and supercritical conditions. Equation of state method sets are: Soave-Redlich-Kwong (SRK), SRK-KabadiDanner (SRKKD), SRK-Huron-Vidal (SRKH), SRK-Panagiotopoulos-Reid (SRKP), SRK-Modified-Panagiotopoulos-Reid (SRKM), SRK-SIMSCI (SRKS), SRK-Hexamer (HEXAMER), Peng-Robinson (PR), PR-Huron-Vidal (PRH), PRPanagiotopoulos-Reid (PRP), PR-Modified-Panagiotopoulos-Reid (PRM), Predictive Peng-Robinson 78 (PPR78), BWRS (BWRS), Lee-Kesler-Plöcker (LKP), and Uniwaals (UNIWAALS). Liquid Activity: Liquid activity methods use liquid phase activity coefficient models to represent the liquid mixture in phase equilibrium calculations. This approach is useful for modeling strongly non-ideal liquid solution behavior. Methods available in PRO/II include: NRTL, UNIQUAC, Wilson, van Laar, Margules, Regular Solution, Flory-Huggins, UNIFAC, UNIFAC TDep-1, UNIFAC TDep-2, UNIFAC TDep-3, UNIFAC Free Volume, and Ideal. Generalized Correlations: Generalized correlations predict K-values with semirigorous equations. The Grayson-Streed and Chao-Seader correlations use the Redlich Kwong equation for vapor fugacities and empirical relationships for the liquid fugacities. Braun K-10 is based on the convergence pressure concept. A variety of other correlations are used to predict the other properties, i.e., enthalpies, entropies, and densities. Generalized correlations are: Braun-K10 (BK10), Grayson-Streed (GS), Improved-Grayson-Streed (IGS), Grayson-StreedErbar (GSE), Chao-Seader (CS), Chao-Seader-Erbar (CSE), and Ideal (IDEAL). Special Packages: Special packages are designed to solve a particular industrial application. Special packages in PRO/II are: Alcohol (ALCOHOL), Glycol (GLYCOL), Sour Water (SOUR), GPA Sour Water (GPSWATER), and Amine (AMINE) and CAPE-OPEN. All Primary Methods: This category includes all of the primary thermodynamic sets that are listed above. User-added Methods: This category includes all of the 15 user-added method sets that may be defined by the user. The PRO/II online help texts provide application guidelines for the various method sets, as well as a brief description for each method. More detailed information may also be found in the PRO/II Reference Manual (also available online). Table 8-1 at the end of this section gives a detailed list of the composite thermodynamic methods used for each predefined method set.

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Specifying Component, Thermodynamic, and Stream Data 109

Modifying Predefined Method Sets Predefined method sets are modified via the Thermodynamic Data-Modification window which is accessed by clicking Modify... in the Thermodynamic Data window. The pre-selected thermodynamic methods for the various thermodynamic properties may then be changed in this window by following the steps given below: 

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



Select the replacement thermodynamic method.

Any or all of the thermodynamic methods may be changed for the method set being modified, including: K-value (VLE), K-value (LLE), liquid enthalpy, vapor enthalpy, liquid entropy, vapor entropy, liquid density, vapor density, and vapor fugacity (where applicable). Note: The newly added libraries and databank names in TDM can be recognized in this dialog box by Library Name: Databank Name. Some property-specific data may also be supplied and/or modified in this window for the thermodynamic methods by clicking Enter Data... in the Property-specific Data field. Many of the methods use specific parameters, such as binary interaction factors, modified acentric factors, etc. A priority search order may be defined for the selection of these parameters from more than one thermodynamic databank. Note that thermodynamic databanks are supplied by SIMSCI and may also be prepared by the user with the SIMSCI LIBMGR program. Property-specific data which apply only to the liquid activity methods include: fill options for missing parameters, Henry’s Law options, and Poynting correction options. For the liquid activity methods, a vapor fugacity method may also be selected. Other property-specific data which may be modified include the dimensionless residence time correction factor for amines DGA and MDEA and the key (or dominant) components in each liquid phase for K-value (LLE) methods. Key component selection is optional and PRO/II will determine them when not supplied. However, convergence time may be enhanced by pre-selecting the key components.

Fill-in Property Prediction PRO/II allows missing data to be “filled in” under several circumstances. For example, when the composition of an azeotrope and activity coefficient values at infinite dilution are known for some pair of species, you can use this option to predict missing activity coefficient values at intermediate concentrations.

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

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

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

Poynting Correction The Poynting Correction window is used to specify the use of the Poynting correction factor for liquid-phase fugacities. The Poynting Correction window is brought up by clicking the appropriate Enter Data... button on the Thermodynamic Property Modification-Property Specific Data window. There are three options to using the Poynting correction: 1. Default: This choice specifies that the Poynting correction will be used only if a vapor fugacity method is chosen. 2. Use Poynting Correction to Liquid Activities: Use the Poynting correction factor for the liquid phase fugacity. 3. Do Not Use Poynting Correction: Do not use Poynting correction factor.

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Specifying Component, Thermodynamic, and Stream Data 111

If either of the first two options is selected, then the liquid molar volume calculation method may be selected from the following choices: Standard (25°C) Volumes, Rackett, Rackett One-Fluid, or Library Density Correlations. The default method is Standard (25°C) Volumes. Note standard vapor conditions are different from standard conditions for liquid molar volume. See Table 1: Standard Conditions on page 47.

Amine Residence Time Correction Factor The Amine Residence Time Correction window is available only for the Amine special data package thermodynamic method for K-values. It is accessed by clicking Enter Data... on the Thermodynamic Property Modification-Property Specific Data window, then clicking LLE Key Components... on the LLE K-values window. A value for the residence time correction factor for systems containing amines MDEA or DGA may be entered in this window. The default value for this factor is 0.30.

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

Binary Interaction Parameters A number of methods in PRO/II allow the entry of binary interaction parameters. These include equations of state for many properties and liquid-activitycoefficient models for K-values. These parameters are entered on the Binary Interaction Parameters window, which is reached by clicking Enter Data... next to Binary Interaction Parameters on the Thermodynamic Property ModificationProperty Specific Data window. For each column of the grid, the two components for which the data is being entered must first be selected from the drop-down list boxes in the first two rows of the grid. Depending on the thermodynamic method set which has been selected, one or more parameters characterize the interaction between the two components. When the Binary Interaction Parameters window is initially brought up, the box at the top of the window must be checked in order to enable the grid where

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individual binary interaction parameters are entered. For the NRTL and UNIQUAC methods, there are several different forms of the binary interaction equations. For the NRTL method, the 5-Parameter equation is the default form. For the UNIQUAC method, the default is the 4-Parameter form of the equation. For these two methods, a different equation form may be selected for each component pair from the Equation Format drop-down list box, in order to enter the data in the most convenient form. Depending on the selection in the Equation Format list box, the appropriate rows in the grid become active. For most equation formats, many active parameters have default values of 0.0, except for the SRK-Modified Panagiotopoulos-Reid, PR-Modified Panagiotopoulos-Reid, Glycol, Sour, GPA Sour Water, and Amine methods, where the default value for parameters cij and cji is 1.0.

User supplied K-values A number of methods in PRO/II allow the user to overwrite the primary method Kvalues. The user supplied K-values are entered for all related components on the Thermo Properties - User supplied K-values dialog box. This dialog box is opened by clicking Enter Data... next to User supplied K-values on the Thermodynamic Property Modification-Property Specific Data window. The K-values are supplied through Thermodynamic Data - User supplied K-values dialog box by selecting either the correlated or tabular form. Correlation Coefficient: Antoine equation is used as a default correlation with 1 atm as reference pressure. The coefficients have default values of 0.0. Tabular Data: User needs to supply K-value for at least 2 temperature points for all the relevant components. Detailed information on default correlations is available in PRO/II Reference Manual. Selecting the “User Supplied” option for KVLE/KLLE in the Thermodynamic Property Modification window can also overwrite the entire KVLE/KLLE method.

Heat of Mixing Data For the ideal thermodynamic method, an excess enthalpy method may be specified on the Heat of Mixing window. This window is accessed by clicking Enter Data... beside liquid enthalpy on the Thermodynamic Property-Modification Data window, checking the check box and then clicking Enter Data on the Thermodynamic Property-Modification-Liquid Enthalpy window beside the Heat of Mixing data item. Checking the box on the Heat of Mixing window activates three radio buttons, and the excess enthalpy calculation method may be selected by choosing the desired radio button. If either of the Redlich-Kister Excess Enthalpy methods is chosen, then the Redlich-Kister binary parameters may be entered in the Binary Redlich-Kister Parameters window, which is accessed by

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Specifying Component, Thermodynamic, and Stream Data 113

clicking Enter Data.... When entering the Redlich-Kister binary parameters for any component pair, the Aij field is required and the other parameters have default values of 0.0.

User-added Thermodynamic Data To select a user-added thermodynamic method, select one of the fifteen useradded methods from the drop-down list box in the Primary Method field on the Thermodynamic Data window. The User-added Parameters window allows the input of parameters for user-added thermodynamic subroutines. For each row of the grid, the parameter number (from 1 to 2600) is entered in the first column and the parameter value is entered in the second column. Note: The User-added Subroutines supplement (an add-on to the standard PRO/II package) is required for user-added thermodynamic methods. Contact your local SIMSCI office for more information.

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

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

Property Calculations When a Cape Open Property Package is selected for stream or unit operation calculations, the PRO/II Flash calls the CalcEquilibrium function in the property

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package. If CalcEquilibrium fails, PRO/II uses other properties, such as fugacity coefficients, from property package.

Defining Transport Properties Transport property methods are selected in the Thermodynamics –Transport Properties window which is accessed by clicking Transport Properties on the Thermodynamic System –Modification window. Transport properties, i.e., viscosities, thermal conductivities, liquid surface tension, and liquid diffusivities may be selected on a global basis via radio buttons as: specify individually, purecomponent averages, petroleum-based correlations, the TRAPP method, or user-added methods. Note that the TRAPP method does not predict liquid surface tension. The petroleum method is used to predict this property when TRAPP is selected. Drop-down list boxes may be used to replace any of the global methods, with these options for the properties: Vapor viscosities: None, pure-component average, petroleum correlation, TRAPP correlation, Bromley-Wilkey correlation, CAPE-OPEN, user-added, NIST,GERG04, AGA8. Liquid viscosities: None, pure-component average, petroleum correlation, TRAPP correlation, API correlation, SIMSCI correlation, kinematic viscosity, Lohrenz-Bray-Clark, Twu viscosity w/Twu Bull mixing rule, API viscosity w/Twu Bull mixing rule, Tight Woeflin (petro method), Medium Woeflin (petro method), Loose Woeflin (petro method), Tight Woeflin (pure method), Medium Woeflin (pure method), Loose Woeflin (pure method), CAPE-OPEN, user-added, NIST, GERG04. Vapor thermal conductivities: None, pure-component average, petroleum correlation, TRAPP correlation, CAPE-OPEN, user-added, NIST,GERG04, AGA8. Liquid thermal conductivities: None, pure-component average, petroleum correlations, TRAPP correlation, Latini correlation, API 96 Procedure 12A3.2, API 96 Procedure 12A4.1 (High Pressure), CAPE-OPEN, user-added, NIST,GERG04. Liquid surface tension: None, pure-component average, petroleum correlations, Parachor/Tacite, API 82 Procedure 10A3.2, CAPE-OPEN, useradded, NIST,GERG04. Note:

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

Liquid diffusivity: None, Wilke-Chang. Note: A user-added method is not allowed for liquid diffusivity calculations.

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Specifying Component, Thermodynamic, and Stream Data 115

To select a user-added transport method, choose the User-added Subroutine option from the Transport Properties window and select one of the five methods from the drop-down list. Note: The User-added Subroutines Supplement (an add-on to the standard PRO/II package) is required for user-added transport methods. Contact your local SIMSCI office for more information. The PRO/II online help text provides additional information about the various transport property methods. More information may also be found in the PRO/II Reference Manual.

Specifying Water Decant Options When a method set which supports two-liquid phase calculations is selected via the Thermodynamic Data window, the Thermodynamics -Liquid- Liquid Options window appears. Radio buttons on this window may specify using a single liquid phase in the calculations (the default) or that two-liquid phase calculations are performed. For method sets that support water decant, the user may optionally select to decant water as a pure phase. The methods used for the decant water calculations are selected via radio buttons in the Water Options window which is reached by clicking Water Options... on the Thermodynamic System-Modification window. The following options are available: Calculation of Water Solubility in Non-aqueous Phase: SIMSCI Method (the default), SIMSCI Method (Extrapolating), Kerosene correlation, Compute from Equation of State (SRK and PR methods only). Additional options are available from the 1999 API Technical Data Book, Procedure 9A1.3. Options include LUBE, NAPH, APIKERO, PARA, GASO, JP3, and JP4. Calculation of Decanted Water Properties: Vapor-Liquid Saturation Values, Steam Tables and IAPWS-IF97 Steam Tables. Calculation of Water Partial Pressure: Sweet Gas GPSA Correlation, Sour Gas Wichert Correlation. More details on decant of free water are given in the online help text and in the PRO/II Reference Manual. Table 8-1a: Predefined Most Commonly Used Thermodynamic Method Sets Common: Vapor K-value Method Enthalpy SoaveRedlich-Kwong (SRK)

SRK

116 PRO/II User Guide

Liquid Enthalpy

Vapor Entropy

Liquid Entropy

Vapor Density

Liquid Density

Vapor Fugacity

SRK

SRK

SRK

SRK

API

NONE

April 2014

Table 8-1a: Predefined Most Commonly Used Thermodynamic Method Sets PengRobinson (PR)

PR

PR

PR

PR

PR

API

NONE

GraysonStreed (GS)

CP

CP

CP

CP

SRK

API

NONE

Braun-K10 (BK10)

JG

JG

CP

CP

IDEAL

API

NONE

NRTL (NRTL)

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

IDEAL

UNIQUAC (UNIQUAC)

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

IDEAL

UNIFAC (UNIFAC)

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

IDEAL

Note: CP= Curl-Pitzer method, JG = Johnson-Grayson method, API= API Method Table 8-1b: Predefined Generalized Correlation Method Sets Generalized: Vapor Liquid K-value Method Enthalpy Enthalpy

Vapor Entropy

Liquid Entropy

Vapor Density

Liquid Density

Vapor Fugacity

Braun-K10 (BK10)

JG

JG

CP

CP

IDEAL

API

NONE

Chao-Seader (CS)

CP

CP

CP

CP

SRK

API

NONE

Chao-SeaderErbar (CSE)

CP

CP

CP

CP

SRK

API

NONE

Grayson-Streed (GS)

CP

CP

CP

CP

SRK

API

NONE

GraysonStreed-Erbar (GSE)

CP

CP

CP

CP

SRK

API

NONE

ImprovedGrayson-Streed (IGS)

CP

CP

CP

CP

SRK

API

NONE

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

NONE

Ideal (IDEAL)

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Table 8-1c: Predefined Equation of State Thermodynamic Method Sets Eqn of State: K-value Method

Liquid Enthalpy

Vapor Enthalpy

Vapor Entropy

Liquid Entropy

Vapor Density

Liquid Density

Vapor Fugacity

BWRS (BWRS)

BWRS

BWRS

BWRS

BWRS

BWRS

BWRS

NONE

Peng-Robinson (PR)

PR

PR

PR

PR

PR

API

NONE

PR-Huron-Vidal (PRH)

PRH

PRH

PRH

PRH

PRH

API

NONE

PRPanagiotopoulosReid (PRP)

PRP

PRP

PRP

PRP

PRP

API

NONE

PR-ModifiedPanag.-Reid (PRM)

PRM

PRM

PRM

PRM

PRM

API

NONE

Soave-RedlichKwong (SRK)

SRK

SRK

SRK

SRK

SRK

API

NONE

SRK-KabadiDanner (SRKKD)

SRKKD

SRKKD

SRKKD

SRKKD

SRKKD

API

NONE

SRK-Huron-Vidal (SRKH)

SRKH

SRKH

SRKH

SRKH

SRKH

API

NONE

SRKPanagiotopoulosReid (SRKP)

SRKP

SRKP

SRKP

SRKP

SRKP

API

NONE

SRK-ModifiedPanag.-Reid (SRKM)

SRKM

SRKM

SRKM

SRKM

SRKM

API

NONE

SRK-SIMSCI (SRKS)

SRKS

SRKS

SRKS

SRKS

SRKS

API

NONE

SRK-Hexamer (HEXA)

HEXA

HEXA

HEXA

HEXA

HEXA

API

NONE

LKP

LKP

LKP

LKP

LKP

API

NONE

Uniwaals (UNIW)

UNIW

UNIW

UNIW

UNIW

UNIW

UNIW

NONE

Predictive PengRobinson 78 (PPR78)

PR

PR

PR

PR

PR

API

NONE

Lee-KeslerPlöcker

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Table 8-1d: Predefined Liquid Activity Thermodynamic Method Sets Liq Activity: K-value Method

Liquid Vapor Entropy Entropy

Vapor Density

Liquid Density

Vapor Fugacity

NONE

IDEAL

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

IDEAL

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

NONE

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

IDEAL

Margules (MARGULES)

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

IDEAL

Regular Solution (REGULAR)

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

IDEAL

Flory-Huggins (FLORY)

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

IDEAL

UNIFAC TDep-1 (UNIFAC TDep-1)

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

IDEAL

UNIFAC TDep-2 (UNIFAC TDep-2)

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

IDEAL

UNIFAC TDep-3 (UNIFAC TDep-3)

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

IDEAL

UNIFAC Free Volume (UNIFAC Free Volume)

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

IDEAL

Ideal (IDEAL)

IDEAL

IDEAL

NONE

NONE

IDEAL

IDEAL

NONE

Vapor Enthalpy

Liquid Enthalpy

NRTL (NRTL)

IDEAL

IDEAL

NONE

UNIQUAC (UNIQUAC)

IDEAL

IDEAL

UNIFAC (UNIFAC)

IDEAL

Wilson (WILSON) van Laar (VANLAAR)

Table 8-1e: Predefined Special Package Thermodynamic Method Sets Special:

Vapor Enthalpy

Liquid Enthalp y

Vapor Entropy

Liquid Entropy

Vapor Density

Liquid Density

Vapor Fugacit y

Alcohol (NRTL)

SRKM

IDEAL

SRKM

SRKM

SRKM

IDEAL

IDEAL

Amine (AMINE)

SRKM

AMINE

SRKM

SRKM

SRKM

IDEAL

NONE

K-value Method

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Specifying Component, Thermodynamic, and Stream Data 119

Glycol (GLYCOL)

SRKM

SRKM

SRKM

SRKM

SRKM

API

NONE

Sour Water (SOUR)

SRKM

IDEAL

SRKM

SRKM

SRKM

IDEAL

NONE

GPA Sour Water (GPSWAT)

SRKM

IDEAL

SRKM

SRKM

SRKM

IDEAL

NONE

Stream Data General Information This section of data is used to specify the thermal conditions and compositions for all feed streams in the flowsheet. It may also be used to furnish initial estimates of the composition and thermal conditions for recycle tear streams to enhance recycle convergence. Supplied data for tear streams or any other streams which are products from unit operations are used as estimates only and always replaced by the next calculated set of values. Finally, Reference streams may be defined to eliminate thermal recycles. Compositional streams may be of two types: composition fully defined in terms of defined components, or pseudo-components to be generated from petroleum assay data. Reference streams are always assigned the composition of the parent stream. Compositions may be defined on a mole, weight, standard liquid volume or vapor volume basis, corresponding to typical laboratory data. It is necessary to provide both a laboratory distillation and stream average gravity for petroleum assay streams. Light ends analyses, gravity curves, and molecular weight curves may optionally be furnished to improve the characterization of petroleum assay streams. The stream thermal conditions may be specified in a variety of ways including: defined temperature and pressure, bubble or dew point conditions, or fraction liquid. For reference streams, only the temperature and pressure may be defined.

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

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To enter data for a stream: 

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



Select the desired stream operation.

The stream name automatically assigned by the program is displayed in the upper left hand corner of this window and may be edited as desired. If the stream is an intermediate or product stream, a check box appears on this window so that an initial estimate may be supplied for the stream. 

Select the Stream Type.

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

Specifying Composition Defined Streams Within the Stream Data main data entry window: 

Select the Composition Defined radio button.



Click Flow rate and Composition to access the Flow rate and Composition window.

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Radio buttons are used to select the stream flow rate basis as: Total Fluid Rate, or Individual Component Flow rates. A data entry box adjacent to the Total Fluid Rate button is used to enter the total stream flow in mole, mass, standard liquid volume, or standard vapor volume units. The stream composition is supplied in a drop-down list box, and may be supplied on a mole, mass, standard liquid volume, or standard vapor basis. Components not defined are assigned zero flow rates. If the total fluid rate was not given, the flow rate for the stream is taken as the sum of the stream composition. PRO/II displays a running total for the composition as it is entered.

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

Specifying Stream Thermal Condition The thermal condition for all supplied streams except reference streams must be specified on the Stream Data main data entry window. Two specifications must be supplied. The first specification is selected as Temperature or Pressure via the First Specification drop-down list box and the value entered in an adjacent data entry field. The second is chosen from the Second Specification drop-down list box as: Pressure, Bubble Point, Dew Point, Liquid Mole Fraction, Liquid Weight Fraction, or Liquid Volume Fraction. The pressure and the liquid fraction specifications have an adjacent data entry field. Thus, the thermal condition may be: 

Defined temperature and pressure.



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



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



Liquid fraction (pressure defined, temperature calculated).



Liquid fraction (temperature defined, pressure calculated).

The temperature and pressure may optionally be specified for a reference stream. If not specified, the thermal conditions for the parent stream are used.

Specifying Petroleum Assay Streams Within the Stream Data main data entry window: 

Select the Petroleum Assay radio button.



Click Flow rate and Assay to enter the Flow rate and Assay window.

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The flow rate for the assay stream is entered in the data entry field provided as weight or liquid volume units. The cut point set for the blend may be selected by clicking the hypertext string default set of TBP cut points to retrieve a list of the problem cut point sets. The pseudo-component blending option is selected by clicking the text string included in. This option is the default and includes the pseudo-components generated for the stream in the assay blending for the cut point set. The excluded from option is used when the assay stream is a recycle estimate and the effect of its estimated pseudo-components on the assay blend properties is not wanted. Entry of the various assay data is discussed below. More information on the various laboratory tests is given in the PRO/II help text and the PRO/II Reference Manual.

Laboratory Distillation 

Click Define/Edit Assay... on the Petroleum Assay Stream window to enter the Assay Definition window. This window is used to enter the laboratory assay data for the petroleum stream.



Select the type of distillation via radio buttons as: True Boiling Point (TBP), ASTM D86, ASTM D1160, or ASTM D2887.

The basis for the distillation may be chosen as: Liquid Volume or Weight. Liquid Volume is the default for all distillations except the ASTM D2887 which is defaulted as weight. Note that gravity and molecular weight curves must be on the same basis, volume or weight, as the distillation curve. The distillation data for TBP, ASTM D86, and ASTM D1160 are assumed to be at a pressure basis of 14.696 psia. If not, enter the laboratory pressure in the data field provided. For ASTM D86 distillations, a Correct for Cracking check box is provided for application of the API Data Book cracking correction to the distillation temperatures. The distillation data are entered in the table provided. At least two points are required when the cubic spline fitting method is used. When only two points are given, PRO/II uses a probability density function to fill in the curve. For the quadratic fitting option, at least three points must be given for TBP’s and five points for other types of distillations. PRO/II needs the entire distillation curve from zero percent to one hundred percent and extrapolates and interpolates as necessary. Wise engineers perform their own extrapolations outside of PRO/II, using their knowledge of the stream being characterized.

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

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Specifying Component, Thermodynamic, and Stream Data 123

window to access the Assay Gravity Curve window which provides a convenient tabular form for entry of the gravity curve.

Molecular Weight Data A molecular weight curve may be optionally given by clicking Molecular Weight... on the Assay Definition window to access the Assay Molecular Weight Data window. This window provides a tabular form for entry of the molecular weight curve. Optionally, the stream average value may also be supplied in this window.

Light ends Data Light ends data may be optionally provided by clicking Light ends... on the Assay Definition window to access the Assay Light ends Data window. The light ends composition may be entered on a mole, mass, standard liquid volume, or standard vapor volume basis. See Table 1: Standard Conditions on page 47 for differences in standard conditions. Any library component or petroleum component that was defined as a PETRO component may be designated as a light end. Several choices are available for specification of the total light ends flow. These choices are selected via radio buttons and are: Match to TBP Curve: The light ends rate is determined such that the normal boiling point for the mid percent of the highest boiling light end exactly matches the TBP curve. The light end components are kept in the same proportions as the supplied composition (the default). Fraction of Assay: The light ends rate is a specified fraction of the total stream rate. A basis of liquid volume or weight may also be selected in the Basis drop-down list box. If no basis is selected, the basis for the distillation curve is assumed. When this option is chosen and the light ends composition does not add to the specified fraction or to 100.0 ± 1.0 or 1.00 ± 0.01 (indicating composition percentage or composition fraction) an error is signaled. Percent of Assay: The light ends rate is a specified percent of the total stream

rate. A basis of liquid volume or weight may also be selected in the Basis drop-down list box. If no basis is selected, the basis for the distillation curve is assumed. When this option is chosen and the light ends composition does not add to the specified percent or to 100.0 ± 1.0 or 1.00 ± 0.01 (indicating composition percentage or composition fraction) an error is signaled. Use Compositions as Actual Rates: The supplied composition is assumed to be component flows, not fractional composition or percentage composition.

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Light ends Rate: The light ends rate is supplied directly in the data entry field

provided. When this option is chosen and the light ends composition does not add to 100.0 ± 1.0 or 1.00 ± 0.01 (indicating composition percentage or composition fraction) an error is signaled. Optionally, a check box is provided to normalize the composition based on the specified total light ends rate, in which case no error is signaled for a composition total which does not equal fraction, percent or a supplied rate and does not add to 100.0 ± 1.0 or 1.00 ± 0.01.

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

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

Setting Recycle Convergence Options Recycle convergence options are entered in the Problem Recycle Convergence and Acceleration Options window which may be reached from the PFD main on the toolbar. The following Recycle Convergence window by clicking Options can be selected with radio buttons: Converge all Streams: Convergence is not attained until all flowsheet streams are converged within the recycle tolerances. This is the default. Converge only Tear Streams: Convergence is reached when all tear streams are converged. This is the option used by the SIMSCI PROCESS Simulation Program. Global recycle tolerances may be set in this window. These tolerances are used for all loops except user specified loops in which tolerances are supplied. Tolerances may be specified as relative or absolute via drop-down list boxes. Tolerances are: Component: The allowed change in a stream component rate from one iteration to the next. The default is 0.01 on a relative basis. Temperature: Allowed change in a stream temperature from one iteration to another. The default is ±1.0°F or equivalent.

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Specifying Component, Thermodynamic, and Stream Data 125

Pressure: Allowed change in stream pressure between iterations. The default is 0.01 on a relative basis. The smallest stream component mole fraction to test for convergence may be changed from the default value of 0.01 by clicking on the linked text numeric value. Note that for some problems such as amine plants, this threshold must be lowered to test the residual acid gas components in the recycle amine solution. Set the frequency of intermediate results printed for recycle calculations by clicking the underlined value in the print statement: Print recycle stream composition every 0 recycle iterations. The number of recycle trials to allow before non-convergence is signaled may be entered by clicking the underlined value in the trials statement: Set default maximum number of trials for each recycle loop to 20. Note that this is a global value which may be superseded for a user specified loop.

Acceleration options are chosen via radio buttons: Direct Substitution (No Acceleration): This is the default. Apply Wegstein Acceleration: Use the Wegstein acceleration method. The following additional options may be chosen with Wegstein by clicking underlined default values: first iteration to accelerate (default is 2), iteration interval for acceleration (default is 1), Wegstein lower and upper factors (defaults are -5.00 and 0.00) Apply Broyden Acceleration: Use the Broyden acceleration method. When this option is selected, the first iteration to accelerate may also be supplied by clicking the underlined (linked text) default value of 2. Ordinarily, all recycle tear streams are accelerated. Click Accelerated Tear Streams... to access the Accelerated Tear Streams window. This window has two options available: Accelerate All Tear Streams: This is the default. Accelerate User-specified Tear Streams: When this option is selected, tear streams are selected in a drop-down list box and moved to the Accelerated Streams list box. Acceleration is only applied to these tear streams in the Accelerated Streams list box.

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

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

Click User-specified Recycle Loops on the Problem Recycle Convergence and Acceleration Options window to reach the Userspecified Recycle Loops window.



Then, click the check box beside User-specified Recycle Loops.

A tabular form is used to supply recycle loop information. Each line in the table has drop-down list boxes which are used to select the Starting Unit and the Ending Unit for each loop. The adjacent Enter Data... button is clicked to enter additional recycle information via the Individual Recycle Loop Data window. Information which may be entered in this window includes: Number of Trials: Number of iteration trials before non-convergence is signaled. If not supplied, the global value is used. Recycle Stream Convergence Tolerances: Tolerances may be supplied for the Component, Temperature, and Pressure changes. A threshold component level may be supplied by clicking the underlined (linked text) default. Note that the global defaults are used when values are not supplied in this window. Acceleration Options: The Direct Substitution, Wegstein Acceleration, or Broyden Acceleration methods may be selected for acceleration of the tear stream. The following additional options may be chosen with Wegstein by clicking highlighted default values: first iteration to accelerate (default is 2), iteration interval for acceleration (default is 1), Wegstein lower and upper factors (defaults are -5.00 and 0.00). For Broyden, the first iteration to accelerate may also be supplied by clicking the highlighted default value of 2.

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

Select Report Format from the Output menu.



Select Miscellaneous Data from the Report Format menu to access the Miscellaneous Report Options window.



Click Product Stream Scaling to display the Product Stream Scaling window.



Click the check box beside Scale Stream Flow rate.

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Specifying Component, Thermodynamic, and Stream Data 127



Next, pick the stream to scale from the Stream Name drop-down list box in the Product Stream Scaling window and select the stream components on which the scaling rate is based, with the radio button provided. The default is All Components. If the Range of Components is selected, the starting and ending components are chosen in drop-down list boxes and the scaling rate is applied to the total of all components in this range.

The rate for the scaled product stream, either the total stream or a specified range of components, is supplied in the data entry field provided. The Units of may be used to supply the scaling rate as moles, mass, Measure feature standard liquid volume units, or standard vapor volume units.

Non-scaleable Unit Operations Some unit operation results are not scaleable, that is, the calculated results are dependent on the absolute flow through the unit. For example, the calculated pressure drop through a pipe of specified diameter depends on the flow through the pipe and may not be directly scaled for other flow rates. PRO/II disables the scaling option when unit operations are present which are non-scalable. The following unit operations are non-scalable: Column Hydraulics, Rigorous Heat Transfer, Pipe, Depressuring, Plug Flow Reactor.

Specifying Reference Streams A reference stream is a stream of identical composition to its parent stream. Changes in the composition of the parent stream immediately update the composition of the reference stream to match the new values in the parent stream. This concept is very useful in eliminating thermal recycles in flowsheets. Reference streams are designated by double-clicking the stream on the PFD to retrieve the Stream Data main data entry window, selecting the radio button Referenced to Stream, and choosing the parent stream in the drop-down list box. Optionally, a rate may be supplied for the reference stream. If not supplied, the rate of the parent stream is assumed. Optionally, a temperature and pressure may be specified for the reference stream. If not specified, the thermal conditions of the parent stream are used.

Copying Stream Data PRO/II allows you to copy the thermal and composition data for one or more selected streams. Process data for a selected stream can be copied to a new flowsheet stream or can be used to replace the currently existing data in another selected stream.

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In the case of multiple source streams, the target streams are new flowsheet streams only. Note: Copying of multiple streams on to existing streams is not supported.

Creating a New Stream from an Existing Stream In the PRO/II main window: 

Select the desired single stream or multiple streams to copy by clicking the stream label with the mouse.



Multiple streams can be selected using Shift key. When you select multiple streams, a selection box is drawn and only the streams that are explicitly selected will be part of Copy/Paste operation. Note: Selection with Ctrl keys not available.



Choose Copy on the Edit menu.



Click the left mouse button on an unoccupied area of the PFD main window or choose Select None on the Edit Menu to deselect the selected stream.

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

Choose Paste on the Edit Menu.



Create a new stream by clicking the left mouse button on an unoccupied area of the PFD main window or on one of the available exit ports for a unit icon.



Drag the mouse to the desired unoccupied area of the PFD or feed port of another unit.



Release the mouse button to complete the creation of the stream.

Create additional duplicate streams if desired, or 

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

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

Copying Data from a Stream to another Stream In the PFD main window: 

Select the desired stream to copy by clicking on the stream label with the left mouse button.



Choose Copy on the Edit menu.

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Specifying Component, Thermodynamic, and Stream Data 129



Click the left mouse button on an unoccupied area of the PFD main window or choose Select None on the Edit menu to deselect the selected stream.

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

Select the desired destination stream(s) with the left mouse button.



Choose Paste on the Edit menu.

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

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



Choose Copy on the Edit menu.



Select the desired destination stream(s) with the left mouse button.



Choose Paste Special from the Edit menu.

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

Copy/Paste of an assay stream on to the product stream changes the blend option to XBLEND. This is because the product streams are not involved in the calculation of new stream properties.

•

The Paste Special option is not allowed if new pseudo-components generate i.e., flowsheet resets. Again, Paste Special can be enabled by generating the calculated data.

•

Pasting a calculated data of an assay stream using Paste Special (total composition, liquid composition, or vapor composition) on the targeted stream will erase their assay composition data if a new pseudo-component is generated anywhere in the flowsheet.

•

The Paste Special option is not allowed when multiple streams are selected for copy.

Copying Input Stream Data Across Simulation Databases The Stream Data Link feature described previously will only transfer calculated data from the source stream to the input data slots of the destination stream. To

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copy input stream data from one simulation database to another, you must use the Windows Clipboard. To transfer input stream data from one database to another: 

Select File/Open menu to open the first database.



Highlight the stream of interest and copy the input data of this stream to the Windows clipboard by using the Edit/Copy menu.



Open up the second database using the File/Open menu.



Paste the clipboard data into the destination stream using the Edit/Paste Special menu.

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

Quickly make use of stream data previously calculated in an upstream section of the plant



Avoid possible simulation errors due to manual re-entry of stream data



Easily model each section of the flowsheet as a separate simulation, with each section connected by a stream data link.

To define a Stream Data Link: 

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



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

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

Click on the Define Link check box.



Enter the name of the previously-run database file, or click on the Browse button to select from a list of available database files.



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



Click

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Specifying Component, Thermodynamic, and Stream Data 131

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

Updating Stream Data Links You may update a stream data link while defining that link or you may update all defined links at a later time via the Input menu. To update a Stream Data Link while defining that link: 

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



Click Modify.

To update all defined Stream Data Links: 

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

Note: If the components are different in the two simulation databases, some component rate information may be discarded during the data transfer. If the source stream has rate information for a component which is not present in the second database, that rate information will be ignored. If the source stream contains assay pseudo-components, no component data will be copied to the target stream unless an identical assay exists in the current (target) simulation. Note: All stream data link information will be lost if you export the simulation data to a PRO/II keyword file and then re-import the keyword file.

Refinery Inspection and User-defined Properties Refinery Inspection Properties and User-defined Special Properties are available in PRO/II for calculating bulk stream properties. The stream values of the properties can be included in the PRO/II output and can be used in performance specifications. Refinery Inspection Properties comprises fifty-three predefined properties, commonly used by refineries for measuring and specifying unit operation performance. Examples are cetane index, sulfur content, pour point, and kinematic viscosity. User-defined Special Properties can be defined for any other property for which component data or assay data can be provided. Possible examples include auto-ignition temperature, color, $/tonne.

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Using Refinery Inspection Properties and User-defined Special Properties in a Flowsheet Refinery Inspection Properties and User-defined Special Properties are used in the following ways:

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

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

Through the Thermodynamic Data Window The properties that are to be used are specified in the Thermodynamic Data window. If there is more than one thermodynamic system in the flowsheet, some properties may be specified for use in one system and others in another. Component data for each specified property can also be entered for each thermodynamic system. Any component data entered for a thermodynamic system will be used in preference to the data provided globally wherever that thermodynamic system is invoked. Note: A property is available only if it has been specified for a thermodynamic system through the Thermodynamic Data window and is available only in those unit operations where that thermodynamic system is used.

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

Entering Refinery Inspection Properties To enter component refinery inspection property data globally: 

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

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Specifying Component, Thermodynamic, and Stream Data 133



Click Refinery Inspection Properties to bring up the Component Property Selection for Refinery Inspection Properties window.



Select a property from the Property Name drop-down list box.



Click Enter Data... to enter global values. If the property is Kinematic Viscosity, the Component Data Entry for Kinematic Viscosity window will open. Otherwise the Component Data Entry for Refinery Inspection and User-defined Special Properties window will open.



For each component enter either a Data value or an Index value. For some properties the index method is not applicable and no index values may be entered. If the property is Kinematic Viscosity, enter values at two temperatures.

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

User-defined Special Properties To enter component user-defined special property data globally: 

Click on the toolbar or select Input/Component Properties... from the menu bar. The Component Properties window appears.



Click User-defined Special Properties to access the Component Property Selection for User-defined Special Properties window.



Enter the name of a new Special Property in the Property Name dropdown list box or select a special property from the list.



Click Enter Data... to enter global values. The Component Data Entry for Refinery Inspection and User-defined Special Properties window will open.



For each component, enter either a Data value or an Index value.

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

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Assay Data for Refinery Inspection Properties To enter assay data for refinery inspection properties: 

Double-click on the stream on the PFD. The Stream Data window appears.



In the Stream Data window, click the Petroleum Assay radio button and then click Flow rate and Assay to access the Flow rate and Assay window.



In the Flow rate and Assay window, click Define/Edit Assay... to access the Stream Data - Assay Definition window.



In the Stream Data - Assay Definition window, first click the appropriate distillation method radio button and then click Refinery Inspection Properties to access the Assay Property Selection for Refinery Inspection Properties window.



Select a property from the Property Name drop-down list box.



Click Enter Data... to enter global values. If the Property is Kinematic Viscosity, the Assay Data Entry for Kinematic Viscosity window will open. Otherwise the Assay Data Entry for Refinery Inspection and Userdefined Special Properties window will open.



Enter the property value(s) as a stream average, a curve against Percent Distilled, or both. If the property is Kinematic Viscosity, enter values at two temperatures.

Assay Data for User-defined Special Properties To enter assay data for user-defined special properties: 

Double-click on the stream on the PFD. The Stream Data window appears.



In the Stream Data window click Flow rate and Assay to access the Flow rate and Assay window.



In the Flow rate and Assay window click Define/Edit Assay... to access the Stream Data - Assay Definition window.



In the Stream Data - Assay Definition window click User-defined Special Properties to access the Assay Property Selection for User-defined Special Properties.



Enter the name of a new Special Property in the Property Name dropdown list box or select a special property from the list.

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Specifying Component, Thermodynamic, and Stream Data 135



Click Enter Data... to enter global values. The Assay Data Entry for Refinery Inspection and User-defined Special Properties window will open.



Enter the property value(s) as a stream average, a curve against Percent Distilled, or both.

Assigning Refinery Inspection Properties and Userdefined Special Properties to Thermodynamic Systems The properties that are to be used in the simulation must be specified through the Thermodynamic Data window. If there is more than one thermodynamic system in the flowsheet, some properties may be specified for use in one system and others in another. A property is available only if it has been specified for a thermodynamic system and only in those unit operations where that thermodynamic system is used. Component data for each specified property can also be entered for each thermodynamic system. Any component data entered in a thermodynamic system will be used in preference to the component Global data wherever that thermodynamic system is invoked. To assign refinery inspection properties to a Thermodynamic System: 

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



Select the system for which modifications are to be made in the Defined Systems box.



Click Modify... to access the Thermodynamic Data –Modification Window.



Click Refinery Inspection Properties. The Thermodynamic Method Selection for Refinery Inspection Properties window appears. This window has a table in which properties and associated parameters and data will be entered. To eliminate the need to enter standard sets of properties repeatedly, predefined lists of properties have been set up.



To load the table with a predefined list of properties, select from the Predefined Lists list. Selecting None in this list removes all properties from the table.



Select a property from the Property Name drop-down list box in the table.

This displays the available options, and default selections, for the selected property. Change these as required. The options are:

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Stream Method, which defines the method used to mix component property values to produce a value for the stream. The available options are: i. Summation: The stream property value is determined by summing the product of the component property value and the component fraction. The fraction may be molar, weight or liquid volume and is calculated from the total stream dry composition except for kinematic viscosity when it is from the dry liquid part of the stream. Any Index data supplied for the property will be converted to property values before the summation, using the equation: Index     Reference Index 

³

Value = Reference Value × 

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

γ

This equation is then used to convert the stream index value to the stream property value. iii. User-Formula: The stream property value is determined from the equation in a user-added subroutine, which is linked into PRO/II. Data values may be entered for each component and up to 20 real and integer data values may also be supplied. iv. User-Index: The stream property value is determined by a user-added subroutine, which is linked into PRO/II. The same data as for the Index method is available to the user-added subroutine. v. SIMSCI: This method is only available for cloud point and kinematic viscosity. It is an index method but uses specific index equations. vi. API: API procedures may be used to calculate flash point, cetane index, mean average boiling point, cubic average boiling point, moleaverage boiling point, weight-average boiling point, volume-average boiling point, or heat of combustion. The API method requires no component data.

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vii. Nelson: This is an alternative correlation to calculate flash point and no component data are required. viii. Stream Basis, which specifies whether the component values will be mixed using their mole, weight or liquid volume fractions. ix. Component Fill, which specifies the action to be taken when component values are missing for petroleum fractions in the stream. The available options are: a. Zero: This option sets the property value to 0.0. b. No fill: This produces warning messages for missing data and set to 0.0. c.

SIMSCI: This option estimates missing data by SIMSCI correlations for kinematic viscosity, smoke point, hydrogen content, carbon content or carbon-hydrogen ratio.

d. API: This estimates missing data by API methods for kinematic viscosity, pour point or refractive index. e. Nelson: This option estimates missing data by Nelson method for smoke point. x. Component Blend, which defines the way in which missing data are handled when calculating properties from blended assay streams. The options are: a. Zero: The property value for the cuts in the assay with no data is set to 0.0. b. Exclude: The property is calculated by blending only those assays, which have data for this property. c. Missing: For this option, the blended property is not calculated and is reported as “Missing”. 

Click Data… to enter data for this property, for this thermodynamic system. If the Stream Method is defined as User-Formula, the User Formula Data Entry window opens. Otherwise, if the property is Kinematic Viscosity, the Kinematic Viscosity Data Entry window will open and for other properties, the Refinery Inspection and User-defined Special Properties Data Entry window will open.



In the Kinematic Viscosity Data Entry window or the Refinery Inspection and User-defined Special Properties Data Entry window, for each component, enter either a Data value or an Index value. For each component, enter either a Data value or an Index value. If an Index value is entered, Reference Index Data must also be entered. For some properties, the Index method is not applicable and neither Index values

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nor Reference Index Data may be entered. If the property is Kinematic Viscosity, enter values at two temperatures. 

In the User Formula Data Entry window, for each component, enter a Data value, which will be passed to a linked User-added Subroutine. Up to twenty real and integer values an also be passed to the subroutine. The meaning of the data is determined by the calculation subroutine.

User-defined Special Properties To assign user-defined special properties to a Thermodynamic System: 

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



Select the system for which modifications are to be made in the Defined Systems list box.



Click Modify... to access the Thermodynamic Data Modification Window.



Click User-defined Properties. The Thermodynamic Method Selection for User defined Properties window appears. This window has a table in which properties, associated parameters and data will be entered.



Enter the name of a new special property in the Property Name dropdown list box or select a special property from the list. Change the available options and their default selections as required. The options are: •

Stream Method, which defines the method used to mix the component property values to produce a value for the stream.

•

Stream Basis, which specifies whether the component values will be mixed using their mole, weight or liquid volume fractions.

•

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



Click Data... to enter data for this property, for this thermodynamic system. If the Stream Method is defined as User-Formula, the User Formula Data Entry window opens. Otherwise, the Refinery Inspection and User-defined Special Properties Data Entry window opens.



In the Refinery Inspection and User-defined Special Properties Data Entry window, for each component, enter either a Data value or an Index value. If an Index value is entered, Reference Index Data must also be entered.



In the User Formula Data Entry window, for each component, enter a Data value, which will be passed to a linked User-added Subroutine. Up

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Specifying Component, Thermodynamic, and Stream Data 139

to twenty real and integer values can also be passed to the subroutine. The meaning of the data is determined by the calculation subroutine. Note: If you have assigned Refinery Inspection Properties to a Thermodynamic method set, the standard Stream Data Report will include these Refinery Inspection properties.

Printing Refinery Inspection Properties and User-defined Special Properties Refinery Inspection Properties and User-defined Special Properties can be included in the PRO/II output reports. 

Select Report Format from the Output menu. Next, select the Miscellaneous Data... menu option. The Miscellaneous Report Options window appears.



In the Refinery Inspection and User-defined Special Properties box, check one or both of the following options: Include Input Data —for a printout or data that has been input and/or Input Program Data —for a printout of data generated by PRO/II.

For output of kinematic viscosity data: 

Select Report Format from the Output menu. Next, select the Stream Properties... menu option. The Stream Property Report Options window appears.



Enter two temperatures at which the kinematic viscosity results are required.

BVLE (Validating Equilibrium Data) Tables and plots of binary equilibrium data for given pairs of components may be generated in order to ensure that they are valid in the required range of operation. Any thermodynamic VLE or VLLE K-value method may be used. For liquid activity thermodynamic methods (e.g., NRTL or UNIFAC), the following are calculated: •

K-values,

•

Liquid activity coefficients,

•

Vapor fugacity coefficients,

•

Vapor pressures, and

•

Poynting correction.

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For non-liquid activity methods, such as equations of state or generalized correlations, the following are determined: •

K-values,

•

Liquid fugacity coefficients, and

•

Vapor fugacity coefficients.

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

from the Tools menu or click BVLE toolbar to bring up the Select PRO/II - Binary VLE/VLLE Data window.

•

Click TDM Calculated BVLE to view Component and Thermodynamic dialog box. Users can view all the components that have been used in the current flowsheet on the left-hand side of this dialog box. Use Diagram Tab to calculate and view the BVLE plot and its associated data in the Excel sheet format. Here, BVLE plots can be viewed similar to PRO/II, but this plot uses TDM and Modular Thermo Data.

•

Select the required components for the equilibrium calculations from the drop-down lists.

•

Next, select constant pressure or temperature operation and enter the value.

•

Finally, click Calculate to generate plots (by default, all available plots will be generated). If Excel is selected on the Plot Setup option, from the Options menu, tabular data are available in the spreadsheet. Otherwise, only the plots are shown.

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

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Chapter 9 Unit Operations and Utility Modules This chapter describes how to use unit operation models. Also described are the use of utility modules such as the Calculator, Controller, Flowsheet Optimizer and similar functionalities. For ease of reference, both the unit operation models and the utility modules are presented. Simply +click the hyperlinked name to go to the proper page. Calculator……………………….. 143

Heat Exchanger, Simple ………... 256

CAPE OPEN…………………………163 Heating/Cooling Curves …………. 260 Column, Batch………………………167 Mixer ………………………………… 269 Column, Distillation ……………....168 Multivariable Controller …………. 270 Column, Liquid–Liquid Extraction Phase Envelope …………………... 272 …………………………………………185 Column, Side ……………………... 190

PIPEPHASE Unit Operation …….. 273

Compressor.……………………..….192 Pipe …………………………………. 276 Controller ……………………………196 Polymer Reactor ………………….. 281 Counter Current Procedure Data …………………… 282 Decanter……………………………..198 Crystallizer…………………………..199 Pump ……………………………….. 290 Cyclone ……………………………. 202

Reaction Data ……………………... 291

Rotary Drum Filter…………………208 Reactor …………………………….. 294 Solids Dryer…………………………210 Plug Flow Reactor………………….297 Melter/Freezer……………………….212 Unit Reaction Definitions…….……302 Depressuring Unit………………….213 Reactor, Batch ……………………. 307 Dissolver ………………….…………219 Solid Separator …………………… 308 Filtering

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Centrifuge………..…..…................220 Excel Unit…………………………....227 Stream Calculator ………………… 310 Expander ………………………….. 233

Specifications ……………………... 312

Flash ……………………………….. 235

Vary……………………………………315

Flash With Solids ………………... 238

Define…………………………………317

Flowsheet Optimizer ……………. 239

User-added Unit Operations ……. 329

Heat Exchanger, LNG …………… 244

SimSci Add-on Modules…………..337

Heat Exchanger, Air Cooled……..246 Valve ………………………………… 340 Heat Exchanger, Rigorous ………247 Wiped Film Evaporator ………….. 341

Calculator

General Information The Calculator is a versatile utility module useful for a variety of purposes in flowsheet simulation. Parameters are retrieved from the flowsheet and calculations are performed using a FORTRAN-like language or Microsoft Excel. Parameters may be returned to the flowsheet for use by other unit operations. Some uses for the Calculator include: 

Calculating special stream properties



Simulating special processing units such as reactors



Determining operating conditions for other unit operations



Performing design calculations using flowsheet information



Producing special output values for reports



Computing utility costs and economic functions



Calculating target values for Controllers or objective functions for Flowsheet Optimizers

This is by no means an exhaustive list; the usefulness of this module is limited only by the ingenuity of the user.

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Unit Operations and Utility Modules 143

Calculator Setup In the setup section, unit and stream parameters are retrieved from the flowsheet, constants are defined, names are assigned to calculated results, a sequence table is set up for the streams used for input and output, and the dimensions for the various working arrays may be expanded if desired. Start Setup by clicking Edit/View Declarations on the Calculator main data entry window to open the View Area: 

Click Parameters… to retrieve flowsheet parameters into the Calculator. These variables are accessed in the Calculator procedure as elements of array P. Click the Calculator parameter linked text to open the Definition window where you can specify the stream or unit flowsheet parameter to be retrieved. The format for this window is identical to that used for the DEFINE and is described in the SPEC/VARY/DEFINE section of this chapter. In this window, you will find a list of the unit and stream parameters that may be retrieved via DEFINE.



Click Constants… to enter the constant values. These variables are accessed in the Calculator procedure as elements of array C. Although you can enter constants directly in the procedure, this array provides a means for collecting constants that need to be updated occasionally into a common location.



Click Results… to enter names for the Calculator results. These values are accessed in the Calculator procedure as elements of array R. These names will be used in the output report.



Click Stream Sequence… to define an ordered table of flowsheet streams. There are two functions for this table. First, it provides a necessary link between the procedure and the flowsheet streams for information flow. Second, a calculation loop may be performed in the procedure for a range of streams, using the positions of the streams in the table to control the loop order.



Click Arrays… to declare the length of the storage arrays used by the Calculator. These arrays include the P, C, R arrays defined above, and the IS array that is used to hold stream variables. This array is described in the Calculator Procedure discussion. Two additional arrays appear here. In earlier versions of the Calculator, all local variables had to reside in one of these arrays, V for real variables and IX for integers. Now that any valid FORTRAN variable name can be used, these arrays are no longer needed. Nonetheless, they are still available so that older Calculators will work without rewriting.

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

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Calculator Procedures Use one of the following procedures to perform the calculations. •

Excel Procedure

•

PRO/II Procedure

Excel Procedure In the Excel procedure, the specified parameter, constant, stream data, and component properties are transferred to a Microsoft Excel spreadsheet, which invokes a user-defined macro to perform the calculations and sends the results back to PRO/II in R[] array. Other unit operations and streams can refer to the results using the Define system. An Excel spreadsheet template is provided along with the PRO/II application. It has two worksheets, Parameter worksheet and Component worksheet, which are used to transfer data from PRO/II to Excel, and vice versa. All the values are saved according to the UOM set customization in the spreadsheet. Note: You can customize the spreadsheet to include new macro and new formulas. To use the Excel procedure 

In PRO/II, double-click the calculator unit operation module.



Select the Use Excel Procedure check box.



Select the required Thermodynamic System from the Thermodynamic System drop-down list box.



In the Excel Procedure section, enter the details pertaining to the following fields. •

Spreadsheet Name: Browse and select the spreadsheet required for performing the calculations.

•

Worksheet Name: Enter the name of the worksheet that contains fields for calculating and displaying parameters. If the worksheet name is not entered, P2Parameter is used by default.

•

Component Sheet: Enter the name of the worksheet that contains fields for calculating and displaying components. If the Component sheet name is not entered, P2Component is used by default.

•

Macro Name: Enter the name of the macro defined in the spreadsheet for performing the calculations. If the macro name is not entered, Macro 1 is used by default.

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Unit Operations and Utility Modules 145

Note: If the information entered in any of the above fields is incorrect, an error message is displayed. 

Select any of the following check boxes, as necessary. •

Display Excel during calculations: Select this check box to display the Excel spreadsheet while calculations are performed.

•

Save Excel after calculations: Select this check box to save the Excel spreadsheet after the calculations are performed.

•

Keep Excel open after calculations: Select this check box to keep the Excel spreadsheet open after the calculations are performed.



Edit the spreadsheet by clicking Edit.



Click OK.



Run the simulation.

Limitations of the Excel Procedure The Excel procedure has the following limitations: •

The Excel macro cannot make any direct function calls to transfer data from Excel to PRO/II. All communications with PRO/II take place using the Excel spreadsheet.

•

In the Excel spreadsheet, during the macro run, PRO/II COM Server functions cannot be used to access data in the current flowsheet.

Data Transfer Sheet The Excel spreadsheet used to transfer data from PRO/II to Excel, and vice versa has a standard format, described in the following table. Asterisk mark (*) indicates that the number of columns or cells can increase based on the stream selection. Column or Cell B2 “P2Parameter”

Contents *

During the calculation, PRO/II fills this cell with the parameter sizing.

D2 “P2Parameter”

During the calculation, PRO/II fills this cell with the constant sizing.

F2 “P2Parameter”

During the calculation, PRO/II fills this cell with the result sizing.

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H2 “P2Parameter”

During the calculation, PRO/II fills this cell with the number of streams.

B4:Bn “P2Parameter”

During the calculation, PRO/II fills these cells with the parameter values.

D4:Dn “P2Parameter”

During the calculation, PRO/II fills these cells with the constant values.

F4:Fn “P2Parameter”

The relevant values are filled in these cells during the macro run and are transferred to PRO/II.

H1 “P2Parameter”

During the calculation, user can select the UOM set in this cell and all the values are converted and displayed based on the UOM set.

H4:Hn “P2Parameter”

*

B2 “P2Component” B(6:noc):H(6:noc) “P2Component”

During the calculation, PRO/II fills these cells with the stream data like molar rate, temperature, pressure, enthalpy, liquid fraction, water fraction, compressibility, Molecular weight, Specific Enthalpy, Mass flow rate, Volume flow rate and component mole fractions. After macro run, if there is any change in the molar flow rate, temperature, pressure, mass flow rate and volume flow rate, the modified values are re-flashed in the relevant streams by PRO/II. During the calculation, PRO/II fills this cell with the number of components. During the calculation, PRO/II fills these cells with the component properties.

Rules for Transferring Data between Excel Spreadsheet and PRO/II •

In the Excel spreadsheet, if formulae are available for Molar rate (total or component), Mass rate, Volume rate, Temperature, or Pressure in the respective cells, their values are not transferred from PRO/II to Excel. •

Chapter 9

If the result of formula or macro for Molar rate (total or component), Mass rate, Volume rate, Temperature, or Pressure is different from the value available in PRO/II, Special Stream functions such as

Unit Operations and Utility Modules 147

SRXSTR are automatically used by PRO/II to re-flash the changed values in the respective streams. •

After running the macro, if the cells for total Molar, Mass, or Standard liquid rates are empty in the Excel spreadsheet, they are ignored while transferring data to PRO/II.

•

In the Excel Spreadsheet, if there is a change in any or all the flow rates (Component, Total Molar, Total Mass, and Total Standard liquid rate) of a stream, the data is transferred from Excel spreadsheet to PRO/II in the following order: •

Individual component flow rates are updated and normalized.

•

Total molar flow rates are updated. Individual component flow rates are changed proportionately.

•

Total Mass flow rates are updated. Individual component flow rates are changed proportionately.

•

Total Volumetric flow rates are updated. Individual component flow rates are changed proportionately.

Note: In the Excel spreadsheet, modification of individual component flow rates for Assay and Spiral streams is not recommended.

PRO/II Procedure In the Procedure section, all the calculations are performed using a simple language based on FORTRAN 77. The language permits the use of mathematical functions, branching and looping, and assignment statements commonly used in programming. Special intrinsic functions are available for retrieving flowsheet component and stream information. Special subroutines are provided for storing calculated results directly in flowsheet streams. Calculated results may also be stored in the “Results” array, making them available to the other unit operations in PRO/II. A special solution “flag” is provided for use when a Calculator models a unit operation. Note: The PROCEDURE section must end with a RETURN statement. The FORTRAN procedure is entered directly into the Procedure field on the Calculator main data entry window. The procedure may be checked as is it composed by clicking Check Procedure. The supported features of the language are discussed in the following sections.

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Elements of the Language Each statement may contain up to 80 characters. The ampersand (&) at the end of a line denotes continuation of a statement on the following line. Note that an asterisk (*) is not valid as a continuation marker, since it signifies multiplication. All lines of code except the PROCEDURE statement may be preceded by a unique numeric label from 1 to 99999 (shown as ‘‘nn’’ in this manual). A dollar sign ($) causes all following characters on the remainder of the line to be interpreted as a comment rather than as code. Unlike in FORTRAN, a ‘‘C’’ in column one does not designate a comment statement.

Predefined Variables Definitions of predefined variables, including default dimensions for arrays, appear in the following table. Use a DIMENSION statement in the Calculator setup section to reset the number of elements in each array. Arrays C, P, V, and R store values in floating-point form. Array IX stores integer values. Forms of use include: An where A is any of C, P, V, R, or B, and n is an integer that indicates a single element of the array. A(index) A is any of C, P, V, R, or B, and (index) is an expression, such as (IX2 * 5). The parentheses are required. “A(n)” denotes the same element as “An”. Instead of, or in addition to the supplied V and IX arrays, standard FORTRAN variables may be used. They may be up to 8 characters long and may not duplicate the names of any supplied variables; otherwise they follow the conventional FORTRAN rules. The introduction of this feature in PRO/II 5.0 means that the V and IX arrays need not be used. If this is the case, the arrays can be dimensioned to one word each to save memory. Array "IS" is normally used as the index of a DO loop to step through a sequence of streams in the order defined on the SEQUENCE statement. It may serve as the stream index in PRO/II intrinsic functions. The only form allowed is ISn. IS(index) is never valid. Predefined Variables Variable Name and Form

Chapter 9

Default Size (for arrays)

Description and Comments

Unit Operations and Utility Modules 149

Predefined Variables Variable Name and Form

Default Size (for arrays)

Description and Comments

Cn or C(index)

1