Aspen Plus 12.1 User Guide Part Number: Aspen Plus 12.1 June 2003 Copyright (c) 1981-2003 by Aspen Technology, Inc. All rights reserved. Aspen Plus, Aspen Properties, Aspen Engineering Suite, AspenTech, ModelManager, the aspen leaf logo and Plantelligence are trademarks or registered trademarks of Aspen Technology, Inc., Cambridge, MA. BATCHFRAC and RATEFRAC are trademarks of Koch Engineering Company, Inc. All other brand and product names are trademarks or registered trademarks of their respective companies. This manual is intended as a guide to using AspenTech's software. This documentation contains AspenTech proprietary and confidential information and may not be disclosed, used, or copied without the prior consent of AspenTech or as set forth in the applicable license agreement. Users are solely responsible for the proper use of the software and the application of the results obtained. Although AspenTech has tested the software and reviewed the documentation, the sole warranty for the software may be found in the applicable license agreement between AspenTech and the user. ASPENTECH MAKES NO WARRANTY OR REPRESENTATION, EITHER EXPRESSED OR IMPLIED, WITH RESPECT TO THIS DOCUMENTATION, ITS QUALITY, PERFORMANCE, MERCHANTABILITY, OR FITNESS FOR A PARTICULAR PURPOSE. Corporate Aspen Technology, Inc. Ten Canal Park Cambridge, MA 02141-2201 USA Phone: (1) (617) 949-1021 Toll Free: (1) (888) 996-7001 Fax: (1) (617) 949-1724 URL: http://www.aspentech.com Division Design, Simulation and Optimization Systems Aspen Technology, Inc. Ten Canal Park Cambridge, MA 02141-2201 USA Phone: (617) 949-1000 Fax: (617) 949-1030 Aspen Plus 12.1 User Guide Contents iii Contents For More Information................................................................................................... xxviii Technical Support .......................................................................................................... xxix Online Technical Support Center....................................................................... xxix Contacting Customer Support ............................................................................ xxix Hours .................................................................................................................. xxix Phone................................................................................................................... xxx Fax...................................................................................................................... xxxi E-mail ................................................................................................................. xxxi The User Interface 1-1 Connecting to the Aspen Plus Host Computer................................................................. 1-1 The Aspen Plus Main Window........................................................................................ 1-3 Aspen Plus Toolbars............................................................................................. 1-4 The Process Flowsheet Window...................................................................................... 1-4 The Model Library ........................................................................................................... 1-5 Selecting a Unit Operation Model from the Model Library................................. 1-5 Selecting the Stream Type from the Model Library ............................................ 1-6 The Data Browser............................................................................................................. 1-6 The Parts of the Data Browser ............................................................................. 1-7 Displaying Forms and Sheets in the Data Browser.............................................. 1-8 Status Indicators ................................................................................................... 1-9 Using Next.......................................................................................................... 1-10 Using the Previous and Next Sheet Buttons....................................................... 1-10 Using the Go Back and Go Forward Buttons..................................................... 1-11 Using the Object Manager.............................................................................................. 1-11 Deleting Objects and Clearing Forms ................................................................ 1-12 Using the Expert System When You Make Changes..................................................... 1-12 Using Shortcut Keys....................................................................................................... 1-13 General Shortcut Keys ....................................................................................... 1-13 Shortcut Keys for Working with Blocks and Streams ....................................... 1-13 Shortcut Keys for Editing................................................................................... 1-14 Shortcut Keys for Working with Files ............................................................... 1-14 Shortcut Keys for Working with Flowsheets ..................................................... 1-14 Shortcut Keys for Help....................................................................................... 1-14 Shortcut Keys for Plotting.................................................................................. 1-14 Shortcut Keys for Working with Regions.......................................................... 1-15 iv Contents Aspen Plus 12.1 User Guide Shortcut Keys for Running Simulations............................................................. 1-15 Shortcut Keys for Viewing................................................................................. 1-15 Supplying Comments ..................................................................................................... 1-16 Creating a Simulation Model 2-1 Process Simulation Using Aspen Plus ............................................................................. 2-1 Creating a New Run......................................................................................................... 2-2 Starting Aspen Plus and Creating a New Run...................................................... 2-2 Creating a New Run in Aspen Plus...................................................................... 2-2 Selecting a Template ........................................................................................................ 2-3 About the Built-In Templates............................................................................... 2-3 Selecting a Run Type ....................................................................................................... 2-4 Completing Input Specifications for a Run...................................................................... 2-5 Completion Status for the Flowsheet ................................................................... 2-5 Completion Status on Forms ................................................................................ 2-6 About the Templates ........................................................................................................ 2-7 About the General Template ................................................................................ 2-7 About the Petroleum Template ............................................................................ 2-9 About the Gas Processing Template .................................................................. 2-12 About the Air Separation Template ................................................................... 2-12 About the Chemicals Template.......................................................................... 2-13 About the Electrolytes Template........................................................................ 2-14 About the Specialty Chemicals Template .......................................................... 2-15 About the Pharmaceuticals Template................................................................. 2-16 About the Hydrometallurgy Template ............................................................... 2-17 About the Pyrometallurgy Template.................................................................. 2-18 About the Solids Template................................................................................. 2-19 Using the Online Applications Library.......................................................................... 2-20 Accessing the Online Applications Library ....................................................... 2-20 Creating an Equation Oriented Problem ........................................................................ 2-21 Using Aspen Plus Help 3-1 Getting Help..................................................................................................................... 3-1 Using the Back Button ......................................................................................... 3-1 Searching for Help on a Topic ......................................................................................... 3-2 Displaying Help on Dialog Boxes, Forms and Sheets ..................................................... 3-2 Displaying Help on Screen Elements............................................................................... 3-2 Getting Step by Step Help................................................................................................ 3-3 Getting Reference Information......................................................................................... 3-3 Troubleshooting Help....................................................................................................... 3-3 Getting Printed Information ............................................................................................. 3-5 Printing Help ........................................................................................................ 3-5 Getting Printed Documentation............................................................................ 3-5 Linking to Aspen Tech Home Page ................................................................................. 3-6 Improving Help ................................................................................................................ 3-6 Aspen Plus 12.1 User Guide Contents v Defining the Flowsheet 4-1 Creating a Process Flowsheet........................................................................................... 4-1 Mouse Pointer Shapes .......................................................................................... 4-2 Placing Blocks...................................................................................................... 4-2 Placing Streams and Connecting Blocks.............................................................. 4-4 Using Heat and Work Streams ......................................................................................... 4-6 Using PseudoProduct Streams ......................................................................................... 4-6 Viewing The Flowsheet ................................................................................................... 4-7 Adjusting the Zoom Level.................................................................................... 4-7 Using the Scrollbars ............................................................................................. 4-7 Using the Process Flowsheet Toolbar .................................................................. 4-8 Using the Data Browser to Find Blocks in a Large Flowsheet ............................ 4-8 Using Bookmarks................................................................................................. 4-9 Using Pan ............................................................................................................. 4-9 Checking Flowsheet Completeness.................................................................................. 4-9 Modifying the Flowsheet ............................................................................................... 4-10 Changing Flowsheet Connectivity ..................................................................... 4-10 Improving the Appearance of the Flowsheet ..................................................... 4-12 About Flowsheet Sections.............................................................................................. 4-20 Creating a Flowsheet Section............................................................................. 4-20 Specifying the Current Section .......................................................................... 4-20 Using the Section Toolbar.................................................................................. 4-21 Moving Blocks to a New Section....................................................................... 4-21 Specifying the Stream Class for a Section ......................................................... 4-21 Viewing the Current Section.............................................................................. 4-22 Printing a Flowsheet........................................................................................... 4-22 Global Information for Calculations 5-1 About Global Information................................................................................................ 5-1 Entering Global Specifications......................................................................................... 5-2 Global Sheet ......................................................................................................... 5-2 Description Sheet ................................................................................................. 5-5 Accounting Sheet ................................................................................................. 5-6 Diagnostic Sheet................................................................................................... 5-6 Setup Simulation Options................................................................................................. 5-7 Calculations Sheet ................................................................................................ 5-7 Flash Convergence Sheet ................................................................................... 5-11 System Sheet ...................................................................................................... 5-13 Limits Sheet........................................................................................................ 5-13 Units of Measure ............................................................................................................ 5-13 Selecting Units of Measure ................................................................................ 5-14 Report Options ............................................................................................................... 5-17 Customizing the Stream Report ......................................................................... 5-19 Specifying Components 6-1 vi Contents Aspen Plus 12.1 User Guide Forms for Specifying Component Information................................................................ 6-1 About Databanks.............................................................................................................. 6-2 Contents and Use of the Aspen Plus Databanks .................................................. 6-2 Specifying Components from a Databank ....................................................................... 6-3 Specifying Non-Databank Components........................................................................... 6-7 Using the User-Defined Component Wizard ....................................................... 6-7 Adding a Component ..................................................................................................... 6-14 Inserting a Component ....................................................................................... 6-14 Renaming a Component ................................................................................................. 6-15 Deleting a Component.................................................................................................... 6-15 Reordering the Component List ..................................................................................... 6-15 Generating Electrolyte Components and Reactions....................................................... 6-16 Generating the List of Components ................................................................... 6-16 Identifying Solid Components ....................................................................................... 6-18 Conventional Solids ........................................................................................... 6-19 Nonconventional Solids ..................................................................................... 6-19 About Component Attributes ......................................................................................... 6-19 Assigning Attributes to Conventional Components........................................... 6-20 Assigning Attributes to Nonconventional Components..................................... 6-21 Specifying Supercritical (HENRY) Components .......................................................... 6-21 Defining a Set of Henry's Components.............................................................. 6-22 Specifying UNIFAC Groups.......................................................................................... 6-22 Defining Component Groups ......................................................................................... 6-23 Defining a Component Group............................................................................ 6-23 Component Groups and Tear Stream Convergence........................................... 6-24 Physical Property Methods 7-1 What Is a Property Method?............................................................................................. 7-1 Creating New Property Methods...................................................................................... 7-2 Available Property Methods............................................................................................. 7-2 Ideal Property Methods ........................................................................................ 7-2 Equation of State Property Methods .................................................................... 7-3 Activity Coefficient Property Methods................................................................ 7-3 Property Methods for Special Systems ................................................................ 7-4 Choosing a Property Method............................................................................................ 7-5 Recommended Property Methods for Different Applications ............................. 7-5 Guidelines for Choosing a Property Method........................................................ 7-9 Specifying the Global Property Method............................................................. 7-10 Specifying a Property Method for a Flowsheet Section..................................... 7-11 Specifying a Local Property Method ................................................................. 7-12 Defining Supercritical Components............................................................................... 7-12 Using Free Water Calculations ...................................................................................... 7-13 Specifying Properties for the Free-Water Phase ................................................ 7-14 Special Method for K-Value of Water in the Organic Phase............................. 7-14 Specifying Electrolyte Calculations............................................................................... 7-15 Modifying Property Methods......................................................................................... 7-16 Aspen Plus 12.1 User Guide Contents vii Modifying a Built-in Property Method .............................................................. 7-16 Making Advanced Modifications to a Property Method.................................... 7-17 Property Methods for Nonconventional Components.................................................... 7-18 Nonconventional Property Models..................................................................... 7-18 Specifying the Models for Nonconventional Components ................................ 7-19 Working with CAPE-OPEN Property Packages............................................................ 7-19 Importing a CAPE-OPEN Property Package..................................................... 7-19 Using a CAPE-OPEN Property Package Created Using Aspen Plus 11.1 or Aspen Properties 11.1.................................................................................................... 7-20 Creating a CAPE-OPEN Property Package ....................................................... 7-21 Physical Property Parameters and Data 8-1 About Parameters and Data.............................................................................................. 8-1 Determining Property Parameter Requirements .............................................................. 8-2 Parameter Requirements for Mass and Energy Balance Simulations.................. 8-2 Parameter Requirements for Henry's Law ........................................................... 8-3 Parameter Requirements for Thermodynamic Reference State ........................... 8-3 Retrieving Parameters from Databanks............................................................................ 8-4 Retrieving Pure Component Parameters .............................................................. 8-4 Retrieving Equation-of-State Binary Parameters................................................. 8-5 Retrieving Activity Coefficient Binary Parameters ............................................. 8-5 Retrieving Henry's Law Constants....................................................................... 8-6 Retrieving Electrolyte Binary and Pair Parameters.............................................. 8-6 Entering Property Parameters........................................................................................... 8-7 Forms for Entering Property Parameters.............................................................. 8-7 How to Enter Property Parameters....................................................................... 8-8 Entering Pure Component Constants ................................................................... 8-9 Entering Pure Component Correlation Parameters ............................................ 8-10 Entering Parameters for Nonconventional Components.................................... 8-11 Entering Scalar Binary Parameters .................................................................... 8-12 Entering Temperature-Dependent Binary Parameters ....................................... 8-13 Entering Binary Parameters from DECHEMA.................................................. 8-15 Estimating Binary Parameters for Activity Coefficient Models ........................ 8-16 Entering Electrolyte Pair Parameters ................................................................. 8-16 Entering Ternary Parameters.............................................................................. 8-17 Using Tabular Data and Polynomial Coefficients.......................................................... 8-19 Tabpoly Properties ............................................................................................. 8-19 How Aspen Plus Uses Your Tabular Data and Polynomial Coefficients .......... 8-21 Entering Tabular Data ........................................................................................ 8-21 Entering Polynomial Coefficients for the General Polynomial Model .............. 8-23 Adjusting Reference States for Tabular Data and Polynomials......................... 8-24 Adjusting Tabular Data or Polynomials for the Effect of Pressure.................... 8-25 Using Property Data Packages ....................................................................................... 8-26 Using a Data Package......................................................................................... 8-26 Ammonia-Water Data Package.......................................................................... 8-27 Ethylene Data Package....................................................................................... 8-27 viii Contents Aspen Plus 12.1 User Guide Using Electrolyte Amines Data Packages.......................................................... 8-27 Flue Gas Treatment Data Package ..................................................................... 8-28 Formaldehyde-Methanol-Water Data Package .................................................. 8-28 Glycol Dehydration Data Package ..................................................................... 8-29 Pitzer Data Packages .......................................................................................... 8-29 Methyl-amine Data Package .............................................................................. 8-30 Using Other Electrolyte Data Packages ............................................................. 8-30 Specifying Streams 9-1 Specifying Material Streams ............................................................................................ 9-1 Entering Specifications for Streams..................................................................... 9-2 Possible Stream Thermodynamic Condition Specifications ................................ 9-2 Mass-Balance-Only Calculations..................................................................................... 9-3 Entering Stream Composition.......................................................................................... 9-3 Using Standard Liquid Volume............................................................................ 9-4 Example for Specifying a Process Feed Stream................................................... 9-4 Example for Specifying a Stream with Two Liquid Phases................................. 9-5 Specifying Particle Size Distribution............................................................................... 9-6 Specifying Component Attribute Values ......................................................................... 9-6 About Stream Property Analysis...................................................................................... 9-7 Stream Analysis Types......................................................................................... 9-8 Analyzing Stream Properties............................................................................................ 9-8 Generating PT-Envelopes .............................................................................................. 9-11 Creating a PT-Envelope from a Stream ............................................................. 9-11 About Stream Classes..................................................................................................... 9-13 Using Stream Classes..................................................................................................... 9-14 Using Predefined Stream Classes....................................................................... 9-14 Creating or Modifying Stream Classes .............................................................. 9-15 Specifying a Global Stream Class...................................................................... 9-16 Specifying Stream Classes for Flowsheet Sections............................................ 9-16 Specifying Stream Classes for Individual Streams ............................................ 9-17 Defining New Substreams.............................................................................................. 9-17 About Particle Size Distributions................................................................................... 9-18 Changing Particle Size Distribution Intervals.................................................... 9-18 Creating New Particle Size Distributions........................................................... 9-19 Specifying Heat Streams ................................................................................................ 9-19 Working with Load Streams .............................................................................. 9-20 Specifying Work Streams............................................................................................... 9-21 Using PseudoProduct Streams ....................................................................................... 9-22 About Stream Libraries .................................................................................................. 9-23 Accessing Stream Libraries................................................................................ 9-24 Using Stream Reconciliation.......................................................................................... 9-24 Reconciling Streams with Assay Data ............................................................... 9-26 Unit Operation Models 10-1 Choosing the Right Unit Operation Model .................................................................... 10-1 Aspen Plus 12.1 User Guide Contents ix Mixers and Splitters ....................................................................................................... 10-3 Mixer .................................................................................................................. 10-3 FSplit .................................................................................................................. 10-4 SSplit .................................................................................................................. 10-4 Separators....................................................................................................................... 10-4 Flash2 ................................................................................................................. 10-5 Flash3 ................................................................................................................. 10-5 Decanter ............................................................................................................. 10-5 Sep...................................................................................................................... 10-6 Sep2.................................................................................................................... 10-6 Heat Exchangers............................................................................................................. 10-6 Heater ................................................................................................................. 10-6 HeatX ................................................................................................................. 10-7 MHeatX............................................................................................................ 10-12 HxFlux.............................................................................................................. 10-12 Hetran............................................................................................................... 10-13 Aerotran............................................................................................................ 10-13 HTRI-Xist......................................................................................................... 10-14 Columns ....................................................................................................................... 10-14 DSTWU............................................................................................................ 10-14 Distl .................................................................................................................. 10-15 SCFrac.............................................................................................................. 10-15 RadFrac ............................................................................................................ 10-15 MultiFrac.......................................................................................................... 10-19 PetroFrac .......................................................................................................... 10-20 RateFrac ........................................................................................................... 10-23 Batch Distillation - BatchFrac.......................................................................... 10-24 Extract .............................................................................................................. 10-24 Reactors........................................................................................................................ 10-25 RStoic............................................................................................................... 10-25 RYield .............................................................................................................. 10-25 REquil............................................................................................................... 10-25 RGibbs.............................................................................................................. 10-26 RCSTR............................................................................................................. 10-26 RPlug................................................................................................................ 10-26 RBatch.............................................................................................................. 10-27 Pressure Changers ........................................................................................................ 10-27 Pump................................................................................................................. 10-27 Compr............................................................................................................... 10-27 MCompr ........................................................................................................... 10-27 Pipeline............................................................................................................. 10-28 Pipe................................................................................................................... 10-28 Valve ................................................................................................................ 10-28 Manipulators................................................................................................................. 10-28 Mult .................................................................................................................. 10-28 Dupl .................................................................................................................. 10-28 x Contents Aspen Plus 12.1 User Guide ClChng ............................................................................................................. 10-28 Analyzer ........................................................................................................... 10-28 Feedbl ............................................................................................................... 10-29 Selector............................................................................................................. 10-29 Measurement .................................................................................................... 10-29 Solids............................................................................................................................ 10-29 Crystallizer ....................................................................................................... 10-29 Crusher ............................................................................................................. 10-30 Screen............................................................................................................... 10-30 FabFl................................................................................................................. 10-30 Cyclone............................................................................................................. 10-30 VScrub.............................................................................................................. 10-30 ESP................................................................................................................... 10-30 HyCyc............................................................................................................... 10-31 CFuge ............................................................................................................... 10-31 Filter ................................................................................................................. 10-31 SWash............................................................................................................... 10-31 CCD.................................................................................................................. 10-31 User Models ................................................................................................................. 10-31 Fortran and Excel Unit Operation Models ....................................................... 10-32 CAPE-OPEN COM Unit Operation Models.................................................... 10-32 Aspen Modeler Flowsheets .............................................................................. 10-32 User3 ................................................................................................................ 10-34 Hierarchy...................................................................................................................... 10-34 Specifying Unit Operation Models .............................................................................. 10-35 Overriding Global Specifications for a Block.............................................................. 10-35 Requesting Heating/Cooling Curve Calculations ........................................................ 10-36 How to Request Heating/Cooling Curves ........................................................ 10-36 Reconciling Block Input............................................................................................... 10-39 Running Your Simulation 11-1 Running the Simulation Interactively ............................................................................ 11-2 Commands for Controlling Simulations ............................................................ 11-3 Changing Interactive Simulation Speed............................................................. 11-4 Reinitializing SM Simulation Calculations........................................................ 11-4 Reinitializing EO Simulation Calculations ........................................................ 11-5 Viewing the Status of the Simulation................................................................. 11-6 Checking the Status of Calculations................................................................... 11-7 Checking the Simulation History....................................................................... 11-7 Running the Simulation on the Aspen Plus Host Computer .......................................... 11-8 Communicating with a Remote Aspen Plus Host Computer ............................. 11-9 Running a Simulation Batch (Background) ................................................................... 11-9 Starting a Batch Run .......................................................................................... 11-9 Checking the Status of a Batch Run................................................................... 11-9 Running Aspen Plus Standalone .................................................................................. 11-10 Aspen Plus Simulation Engine Window.......................................................... 11-10 Aspen Plus 12.1 User Guide Contents xi Editing the Input File for Standalone Runs...................................................... 11-10 Changing Run Settings and User Databanks................................................................ 11-11 Interactively Load Results................................................................................ 11-12 Animate Flowsheet........................................................................................... 11-13 Allow Run Only When Input is Complete....................................................... 11-13 Edit Keyword Input Data Before Starting Calculations................................... 11-13 Copy Data Regression and Property Constant Estimation Results onto Property Parameter Forms .............................................................................................. 11-13 Activating and Deactivating Blocks............................................................................. 11-13 Running an EO Simulation .......................................................................................... 11-15 Synchronizing EO Without Running SM Calculations.................................... 11-16 Examining Results and Generating Reports 12-1 Viewing Simulation Results Interactively...................................................................... 12-1 Viewing Results of an EO Simulation ........................................................................... 12-2 Viewing Current Simulation Results.................................................................. 12-2 Checking the Completion Status of a Run ..................................................................... 12-3 Checking Completion Status in the Control Panel............................................. 12-4 Checking Completion Status in the History File................................................ 12-4 Checking the Convergence Status of a Run................................................................... 12-5 Displaying Stream Results ............................................................................................. 12-6 Removing Streams from Flowsheets.................................................................. 12-6 Displaying Stream Results from Sheets............................................................. 12-6 Formatting Stream Results................................................................................. 12-7 Displaying Heat and Work Stream Results........................................................ 12-8 Displaying EO Variable Results ........................................................................ 12-8 Generating an Aspen Plus Report File ........................................................................... 12-8 Exporting a Report File...................................................................................... 12-9 Viewing a Section of the Report ........................................................................ 12-9 Working with Plots 13-1 About Plots..................................................................................................................... 13-1 Step 1: Displaying the Data............................................................................................ 13-1 Step 2: Generating a Plot................................................................................................ 13-2 Using the Plot Wizard ........................................................................................ 13-2 Generating a Plot by Selecting Variables........................................................... 13-5 Step 3: Customizing the Appearance of a Plot............................................................... 13-6 Adding and Modifying Annotation Text............................................................ 13-6 Changing Plot Properties.................................................................................... 13-7 Working with Plots....................................................................................................... 13-13 Updating Plots When Results Change ............................................................. 13-13 Adding Data to Plots ........................................................................................ 13-13 Comparing Runs Using Plots ........................................................................... 13-13 Deleting Data Points and Curves from Plots.................................................... 13-14 Displaying a Different Range of Data on a Plot............................................... 13-14 Changing Plot Defaults .................................................................................... 13-15 xii Contents Aspen Plus 12.1 User Guide Printing a Plot................................................................................................... 13-16 Annotating Process Flowsheets 14-1 Adding Annotations ....................................................................................................... 14-1 Adding Stream Tables........................................................................................ 14-2 Adding Graphics Objects ................................................................................... 14-2 Adding Text Objects .......................................................................................... 14-3 About Global Data ......................................................................................................... 14-4 Displaying Global Data...................................................................................... 14-5 About PFD Mode ........................................................................................................... 14-6 Using PFD Mode to Change Flowsheet Connectivity ....................................... 14-6 Creating a Process Flow Diagram...................................................................... 14-8 Grouping Objects ........................................................................................................... 14-8 Creating Temporary Groups............................................................................... 14-9 Creating Permanent Groups ............................................................................... 14-9 Aligning Objects in Flowsheets ....................................................................... 14-10 Attaching Objects to the Flowsheet ................................................................. 14-11 Printing......................................................................................................................... 14-11 Using Page Setup ............................................................................................. 14-11 Printing a Flowsheet......................................................................................... 14-12 Printing a Section of Flowsheet ....................................................................... 14-13 Printing Large Flowsheets................................................................................ 14-13 Managing Your Files 15-1 File Formats in Aspen Plus ............................................................................................ 15-1 Document Files (*.apw) ..................................................................................... 15-2 Backup Files (*.bkp) .......................................................................................... 15-2 Template Files (*.apt) ........................................................................................ 15-5 Input Files (*.inp)............................................................................................... 15-7 Report Files (*.rep) ............................................................................................ 15-7 Summary Files (*.sum) ...................................................................................... 15-8 Run Messages Files (*.cpm) .............................................................................. 15-8 History Files (*.his)............................................................................................ 15-9 Opening Aspen Plus Files .............................................................................................. 15-9 Types of Files You Can Open.......................................................................... 15-10 Using the Favorites List ................................................................................... 15-10 Saving a Run ................................................................................................................ 15-10 Exporting Aspen Plus Files.......................................................................................... 15-11 Types of Files You Can Export........................................................................ 15-11 Importing Aspen Plus Files.......................................................................................... 15-11 Types of Files You Can Import........................................................................ 15-12 Deciding How to Store a Simulation Problem Definition............................................ 15-12 Managing Files in a Client-Server Environment.......................................................... 15-13 Specifying the Working Directory on the Host Computer............................... 15-13 Saving Files...................................................................................................... 15-13 View History .................................................................................................... 15-13 Aspen Plus 12.1 User Guide Contents xiii Converting Pro/II Input Keyword Files ....................................................................... 15-14 Customizing Your Aspen Plus Environment 16-1 Choosing Settings for the Current Run .......................................................................... 16-1 Customizing Settings for All Runs................................................................................. 16-2 Choosing View Options ..................................................................................... 16-2 Using Toolbars ................................................................................................... 16-3 Specifying Default Options............................................................................................ 16-4 Using the General Tab........................................................................................ 16-5 Using the Component Data Tab......................................................................... 16-7 Using the Results View Tab............................................................................... 16-9 Using the Flowsheet Tab.................................................................................. 16-11 Using the Grid/Scale Tab................................................................................. 16-12 Using the Plots Tab .......................................................................................... 16-13 Using the Run Tab............................................................................................ 16-14 Using the Startup Tab....................................................................................... 16-15 Using the Styles Tab ........................................................................................ 16-15 Using the Advanced Tab.................................................................................. 16-16 Using the Upward Compatibility Tab.............................................................. 16-16 Using the Properties Tab.................................................................................. 16-16 Using the Window Menu ............................................................................................. 16-16 Using Workbook Mode.................................................................................... 16-17 Customizing Application Template Files..................................................................... 16-17 About User Model Libraries ........................................................................................ 16-18 Creating and Manipulating User Libraries....................................................... 16-19 Adding Models to User Model Libraries ......................................................... 16-21 Changing Icons for Models in User Libraries.................................................. 16-27 Convergence 17-1 SM Convergence............................................................................................................ 17-1 Flowsheet Recycles and Design Specifications ............................................................. 17-1 Convergence Options ..................................................................................................... 17-3 Specifying Tear Convergence Parameters ......................................................... 17-3 Specifying Default Methods............................................................................... 17-5 Specifying Sequencing Parameters .................................................................... 17-5 Specifying Convergence Method Parameters .................................................... 17-6 Specifying Tear Streams ................................................................................................ 17-6 Initial Estimates for Tear Streams...................................................................... 17-7 Specifying User-Defined Convergence Blocks.............................................................. 17-8 Convergence Methods.................................................................................................... 17-8 WEGSTEIN Method.......................................................................................... 17-9 DIRECT Method.............................................................................................. 17-10 Secant Method.................................................................................................. 17-11 BROYDEN Method......................................................................................... 17-12 NEWTON Method........................................................................................... 17-12 COMPLEX Method ......................................................................................... 17-14 xiv Contents Aspen Plus 12.1 User Guide SQP Method..................................................................................................... 17-14 Specifying Convergence Order .................................................................................... 17-15 Specifying the Calculation Sequence........................................................................... 17-15 Using Initial Guesses.................................................................................................... 17-17 Flowsheet Sequencing.................................................................................................. 17-17 Obtaining Final Convergence Sequence .......................................................... 17-18 Adding Special Options to the Sequence ......................................................... 17-19 Viewing the Sequence...................................................................................... 17-19 Checking Convergence Results.................................................................................... 17-22 Control Panel Messages ............................................................................................... 17-22 Strategies for Flowsheet Convergence......................................................................... 17-24 Calculator Block Convergence Suggestions .................................................... 17-28 Resolving Sequence and Convergence Problems ............................................ 17-28 EO Convergence .......................................................................................................... 17-32 Specifying EO Convergence Options .......................................................................... 17-33 About the DMO Solver ................................................................................................ 17-34 Changing DMO Solver Parameters.............................................................................. 17-36 Using Creep Mode ........................................................................................... 17-37 Viewing Iteration Summary Information......................................................... 17-38 Specifying Active Set Initialization Parameters............................................... 17-39 Using Micro-Infeasibility Handling................................................................. 17-40 Applying a Trust Region.................................................................................. 17-40 Viewing DMO Solver Report Information .................................................................. 17-41 Problem Information ........................................................................................ 17-42 Basic Iteration Information .............................................................................. 17-42 Largest Unscaled Residuals ............................................................................. 17-42 Constrained Variables and Shadow Price ........................................................ 17-42 General Iteration Information........................................................................... 17-43 Nonlinearity Ratios .......................................................................................... 17-44 Guidelines for Using the DMO Solver......................................................................... 17-45 Scaling.............................................................................................................. 17-45 Handling Infeasible Solutions .......................................................................... 17-46 Handling Singularities...................................................................................... 17-47 Variable Bounding ........................................................................................... 17-48 Run-Time Intervention..................................................................................... 17-49 About the LSSQP Solver.............................................................................................. 17-50 Changing LSSQP Solver Parameters ........................................................................... 17-51 Viewing Iteration Summary Information......................................................... 17-53 Viewing LSSQP Solver Report Information................................................................ 17-55 Basic Iteration Information .............................................................................. 17-55 Independent Variables...................................................................................... 17-56 Constrained Variables ...................................................................................... 17-56 Largest Scaled Variable Changes..................................................................... 17-58 Inactive Equations............................................................................................ 17-58 Largest Scaled Residuals.................................................................................. 17-58 Largest Block RMS Residuals ......................................................................... 17-58 Aspen Plus 12.1 User Guide Contents xv Line Search Information................................................................................... 17-59 Objective and Worst Merit Function Contributors .......................................... 17-60 Guidelines for Using the LSSQP Solver ...................................................................... 17-60 Scaling.............................................................................................................. 17-60 Handling Infeasible Solutions .......................................................................... 17-61 Handling Singularities...................................................................................... 17-62 Handling Infeasible QPs................................................................................... 17-62 Variable Bounding ........................................................................................... 17-63 About the NSOLVE Solver.......................................................................................... 17-63 Changing NSOLVE Solver Parameters ....................................................................... 17-64 Viewing NSOLVE Iteration Summary Information.................................................... 17-65 Accessing Flowsheet Variables 18-1 Accessing SM Variables ................................................................................................ 18-1 Accessing Flowsheet Variables...................................................................................... 18-1 Types of Accessed Flowsheet Variables........................................................................ 18-2 Block Variables.................................................................................................. 18-3 Stream Variables ................................................................................................ 18-3 Other Variables .................................................................................................. 18-3 Property Parameters ........................................................................................... 18-4 Variable Definition Dialog Box..................................................................................... 18-4 Choosing Input or Results Variables.............................................................................. 18-6 Guidelines for Choosing Input or Results Variables.......................................... 18-7 Using Parameter Variables............................................................................................. 18-7 Accessing Vectors........................................................................................................ 18-10 Accessing Stream and Substream Vectors................................................................... 18-11 Substream MIXED and Stream Class CONVEN ............................................ 18-12 Substream CISOLID........................................................................................ 18-14 Substream NC .................................................................................................. 18-14 Component Attributes and PSD....................................................................... 18-15 Accessing Block Vectors ............................................................................................. 18-16 Variables Dependent on Stage Number or Segment Number.......................... 18-17 Variables Dependent on Section Number ........................................................ 18-18 Variables Dependent on Operation Step Number ............................................ 18-18 Variables Dependent on Component Number ................................................. 18-19 Variables Dependent on Component Number and Stage or Segment Number18-19 Variables Dependent on Stage Number and Section Number ......................... 18-21 Variables Dependent on Stage Number and Operation Step Number ............. 18-21 Variables Dependent on Component Number, Stage Number, and Stripper Number............................................................................................................. 18-22 Variables Dependent on Component Number, Stage Number, and Operation Step Number............................................................................................................. 18-22 Variables Dependent on Component Number, Accumulator Number, and Operation Step Number.................................................................................... 18-23 MHeatX Profiles .............................................................................................. 18-23 Reactor Profiles................................................................................................ 18-23 xvi Contents Aspen Plus 12.1 User Guide Accessing Property Parameter Vectors........................................................................ 18-24 EO Variables ................................................................................................................ 18-27 EO Variable Naming Conventions............................................................................... 18-28 Mole Fraction-Based Models........................................................................... 18-28 Equations.......................................................................................................... 18-28 Mole Fraction Streams ..................................................................................... 18-29 EO Variable Attributes................................................................................................. 18-30 Variable Bounds............................................................................................... 18-31 Accessing EO Variables............................................................................................... 18-33 Synchronizing the Model ............................................................................................. 18-34 Using the EO Variables Form...................................................................................... 18-34 Sorting the Variables List................................................................................. 18-35 Customizing the Variables List Display........................................................... 18-35 Using the EO Variables Dialog Box ............................................................................ 18-36 Customizing the EO Variables Display ........................................................... 18-37 Using the Query Dialog Box........................................................................................ 18-37 EO Aliases.................................................................................................................... 18-38 EO Ports ....................................................................................................................... 18-39 Creating a Port.................................................................................................. 18-39 Calculator Blocks and In-Line Fortran 19-1 About Calculator Blocks ................................................................................................ 19-1 Using Fortran in Aspen Plus .......................................................................................... 19-2 Using Fortran in Calculator Blocks................................................................................ 19-3 Creating a Calculator Block Using Fortran........................................................ 19-3 Using Excel in Calculator Blocks .................................................................................. 19-3 Creating a Calculator Block Using Excel .......................................................... 19-4 Identifying Flowsheet Variables .................................................................................... 19-4 Specifying Calculations.................................................................................................. 19-6 Entering Fortran Statements and Declarations................................................... 19-6 Entering Excel Formulas.................................................................................... 19-7 Specifying When the Calculator Block is Executed ...................................................... 19-7 Import and Export Variables.............................................................................. 19-8 Converging Loops Introduced by Calculator Blocks..................................................... 19-9 Specifying Export Variables as Tear Variables ................................................. 19-9 Rules for In-Line Fortran Statements........................................................................... 19-12 Disabling Syntax Checking.............................................................................. 19-12 Writing to the Screen and Aspen Plus Files................................................................. 19-13 Interactive Read Statements......................................................................................... 19-13 Retaining Variables Between Iterations and Blocks.................................................... 19-14 About the Interpreter .................................................................................................... 19-15 About External Fortran Subroutines ............................................................................ 19-16 EO Usage Notes for Calculator.................................................................................... 19-16 Sensitivity 20-1 About Sensitivity Analysis............................................................................................. 20-1 Aspen Plus 12.1 User Guide Contents xvii SM Sensitivity................................................................................................................ 20-1 About Sensitivity Blocks.................................................................................... 20-2 Defining a Sensitivity Block .......................................................................................... 20-2 Creating a Sensitivity Block............................................................................... 20-3 Identifying the Sampled Flowsheet Variables ................................................... 20-3 Identifying Manipulated Flowsheet Variables ................................................... 20-4 Defining Tabulated Variables ............................................................................ 20-5 Reinitializing Blocks and Streams ..................................................................... 20-5 Entering Optional Fortran Statements................................................................ 20-6 Fortran Declarations....................................................................................................... 20-6 EO Sensitivity .............................................................................................................. 20-10 Creating an EO Sensitivity Object ................................................................... 20-11 Calculating EO Sensitivity and Viewing Results............................................. 20-12 Design Specifications: Feedback Control 21-1 SM Design Specs ........................................................................................................... 21-1 About Design Specifications.......................................................................................... 21-1 Defining a Design Specification .................................................................................... 21-2 Creating a Design Specification......................................................................... 21-3 Identifying Sampled Flowsheet Variables ......................................................... 21-3 Entering the Design Specification...................................................................... 21-4 Identifying the Manipulated Variable ................................................................ 21-5 Entering Optional Fortran Statements................................................................ 21-5 Using the Fortran Sheet...................................................................................... 21-6 Troubleshooting Design Specifications ......................................................................... 21-6 EO Usage Notes for Design Spec ................................................................................ 21-16 EO Spec Groups........................................................................................................... 21-17 Choosing Variables for a Spec Group.............................................................. 21-18 Creating a Spec Group ..................................................................................... 21-19 Equation-Oriented Simulation 22-1 The Four Equation-Oriented (EO) Run Modes.............................................................. 22-2 EO Simulation Run Mode.................................................................................. 22-2 EO Optimization Run Mode .............................................................................. 22-3 EO Parameter Estimation Run Mode................................................................. 22-3 EO Reconciliation Run Mode ............................................................................ 22-3 Fixed, Free, and DOF Variables..................................................................................... 22-3 Net Specification............................................................................................................ 22-4 EO Variable Specifications ............................................................................................ 22-5 EO Objective Functions ................................................................................................. 22-6 Defining an EO Objective Function................................................................... 22-6 Setting an EO Objective Function for a Run...................................................... 22-7 Selecting Degree-of-Freedom Variables........................................................................ 22-8 Other EO Variable Attributes......................................................................................... 22-8 Parameter Estimation Versus Reconciliation................................................................. 22-9 EO Flashes.................................................................................................................... 22-10 xviii Contents Aspen Plus 12.1 User Guide EO Options for Flashes .................................................................................... 22-10 PML Flash........................................................................................................ 22-12 Smoothing Flash............................................................................................... 22-14 Measurements............................................................................................................... 22-17 Configuring Specifications for Measurements............................................................. 22-18 Measurements that Pass Information to the Model ...................................................... 22-20 Sending a Constant Value to the Model........................................................... 22-20 Setting the Initial Value of an Optimized Variable.......................................... 22-20 Setting the Initial Value of a Reconciled Variable........................................... 22-20 Setting the Initial Value of an Independent Variable....................................... 22-21 Measurements that Report Information from the Model ............................................. 22-21 Measurements that Pass Information Differently in Different Modes......................... 22-21 Measurements on Measured Variables ............................................................ 22-22 Measurements on Parameterized Variables ..................................................... 22-22 EO Troubleshooting..................................................................................................... 22-22 EO Troubleshooting: Case 1 ............................................................................ 22-22 EO Troubleshooting: Case 2 ............................................................................ 22-23 Using Open Solvers...................................................................................................... 22-24 Selecting an Open Solver ................................................................................. 22-24 Viewing the Open Solver Parameters .............................................................. 22-25 Changing Values of Open Solver Parameters.................................................. 22-25 Implementing Open Solvers............................................................................. 22-25 Optimization and Data Fit 23-1 Optimization...................................................................................................................23-1 About Optimization........................................................................................................ 23-1 Convergence of Optimization Problems ............................................................ 23-2 Recommended Procedure for Optimization................................................................... 23-2 Defining an Optimization Problem................................................................................ 23-3 Creating an Optimization Problem..................................................................... 23-3 Identifying Sampled Flowsheet Variables ......................................................... 23-3 Entering the Objective Function ........................................................................ 23-4 Identifying the Manipulated Variable ................................................................ 23-5 About Constraints........................................................................................................... 23-5 Defining Constraints .......................................................................................... 23-5 Creating Constraints........................................................................................... 23-6 Identifying Sampled Flowsheet Variables for Constraints ................................ 23-6 Specifying the Constraint Expression ................................................................ 23-7 Entering Optional Fortran Statements............................................................................ 23-8 Using the Fortran Sheet...................................................................................... 23-8 Fortran Declarations....................................................................................................... 23-8 Convergence of Optimization Problems ........................................................................ 23-9 COMPLEX Method ........................................................................................... 23-9 Sequential Quadratic Programming (SQP) Method........................................... 23-9 Troubleshooting Optimization Problems ..................................................................... 23-10 Fitting a Simulation Model to Data.............................................................................. 23-22 Aspen Plus 12.1 User Guide Contents xix Types of Data-Fit Applications.................................................................................... 23-23 Defining a Data-Fit Problem........................................................................................ 23-23 Creating Point-Data Data Sets...................................................................................... 23-24 Identifying Flowsheet Variables ...................................................................... 23-24 Entering the Measured Point-Data ................................................................... 23-26 Creating Profile-Data Sets............................................................................................ 23-27 Identifying Profile Variables............................................................................ 23-28 Entering the Measured Profile-Data................................................................. 23-28 Defining Data-Fit Regression Cases ............................................................................ 23-29 Creating Data-Fit Regression Cases................................................................. 23-30 Convergence Parameters .................................................................................. 23-30 Advanced Parameters....................................................................................... 23-31 Data-Fit Numerical Formulation.................................................................................. 23-32 Ensuring Well-Formulated Data-Fit Problems ............................................................ 23-33 Example of a Well-Formulated Data-Fit Problem........................................... 23-33 Bound Factor .................................................................................................... 23-34 Estimating Unmeasured Variables................................................................... 23-35 Sequencing Data-Fit ..................................................................................................... 23-35 Using Data-Fit Results ................................................................................................. 23-36 Troubleshooting ........................................................................................................... 23-36 Transferring Information Between Streams or Blocks 24-1 Transfer Blocks .............................................................................................................. 24-1 Defining a Transfer Block.............................................................................................. 24-2 Creating a Transfer Block .............................................................................................. 24-2 Copying Flowsheet Variables ........................................................................................ 24-2 Copying Streams ................................................................................................ 24-2 Copying Stream Flow......................................................................................... 24-3 Copying Substreams........................................................................................... 24-3 Copying Block or Stream Variables................................................................... 24-3 Specifying Transfer Block Execution ............................................................................ 24-4 Entering Flash Specifications for Destination Streams.................................................. 24-4 Types of Flash.................................................................................................... 24-5 How to Enter Flash Specifications..................................................................... 24-5 EO Usage Notes for Transfer ......................................................................................... 24-7 Equation Oriented Connection Equations...................................................................... 24-8 Specifying Equation Oriented Connections ....................................................... 24-8 Bias and Scale Factors in Equation Oriented Connections ................................ 24-8 Effects of Equation Oriented Connections on Variable Specifications ............. 24-9 Balance Blocks 25-1 Defining a Balance Block .............................................................................................. 25-1 Creating a Balance Block............................................................................................... 25-2 Specifying Blocks and Streams for Balance Calculations ............................................. 25-2 Specifying and Updating Stream Variables ................................................................... 25-4 Convergence Parameters ................................................................................................ 25-4 xx Contents Aspen Plus 12.1 User Guide Sequencing Balance Blocks ........................................................................................... 25-4 Flash Specifications........................................................................................................ 25-5 Material and Energy Balance Equations ........................................................................ 25-5 Case Study 26-1 Using Case Study ........................................................................................................... 26-1 Creating a Case Study .................................................................................................... 26-1 Identifying Case Study Variables................................................................................... 26-2 Specifying Values for Case Study Variables ................................................................. 26-2 Resetting Initial Values ...................................................................................... 26-3 Entering a Description........................................................................................ 26-3 Specifying Report Options for Case Studies.................................................................. 26-4 Specifying Reactions and Chemistry 27-1 About Reactions and Chemistry..................................................................................... 27-1 Reactions ............................................................................................................ 27-2 Chemistry ........................................................................................................... 27-2 About Electrolytes Chemistry........................................................................................ 27-2 Specifying Electrolytes Chemistry................................................................................. 27-3 Defining Stoichiometry for Electrolytes Chemistry........................................... 27-4 Defining Equilibrium Constants for Electrolytes Chemistry............................. 27-5 Specifying Power Law Reactions for Reactors and Pressure Relief Systems ............... 27-7 Equilibrium Reactions (for RCSTR only).......................................................... 27-8 Rate-Controlled Reactions ................................................................................. 27-9 Reactions With Solids .................................................................................................. 27-11 Stoichiometry and Reaction Rate..................................................................... 27-11 Volume Basis for Concentrations .................................................................... 27-11 Specifying LHHW Reactions for Reactors and Pressure Relief Systems.................... 27-12 Equilibrium Reactions for LHHW (for RCSTR only) ..................................... 27-13 Rate-Controlled Reactions for LHHW............................................................. 27-13 Specifying Reactions for Reactive Distillation............................................................ 27-15 Equilibrium Reactions...................................................................................... 27-16 Rate Controlled Reactions................................................................................ 27-18 Fractional Conversion Reactions (for RadFrac only) ...................................... 27-20 Salt Precipitation Reactions (for RadFrac only) .............................................. 27-21 Using a User-Kinetics Subroutine................................................................................ 27-23 Property Sets 28-1 About Property Sets ....................................................................................................... 28-1 Defining a Property Set .................................................................................................. 28-2 Using the Search Dialog Box............................................................................. 28-3 Specifying Phase Qualifiers ............................................................................... 28-3 Specifying Temperature and Pressure Qualifiers............................................... 28-3 Limitations on Calculating Distillation Curves.............................................................. 28-5 User-Defined Properties................................................................................................. 28-6 Aspen Plus 12.1 User Guide Contents xxi Analyzing Properties 29-1 About Property Analysis ................................................................................................ 29-