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aspen user model ASPEN 用户模型 ,外部通过FORTRAN, EXCEL ,CAPE OPEN.pdf
Who Should Read this Guide
Introducing Aspen Plus
Related Documentation
Technical Support
1 Writing and Using User Models
Fortran User Models
Moving to the Intel Fortran Compiler
Configuring Aspen Plus for Your Fortran Compiler
Writing Fortran User Models
Dynamic Linking Overview
Compiling Fortran User Models
Supplying Fortran User Models to Aspen Plus
Creating Fortran Shared Libraries Using Asplink
Writing DLOPT Files
Specifying DLOPT Files for Aspen Plus Runs
Modifying Asplink
2 Calling the Flash Utility
Flash Utility FLSH_FLASH
Flash Types
RETN
IRETN
Flash Results Stored in COMMON
3 Calling Physical Property Monitors
Calling Sequences for Thermodynamic Property Monitors
Calling Sequences for Transport Property Monitors
Calling Sequences for Nonconventional Property Monitors
Calling Sequences for Thermodynamic and Transport Property Monitors with Derivatives
Argument Descriptions for Physical Property Monitors
IDX
IDXNC
Y, X, X1, X2, Z, CS
CAT
KDIAG
Calculation Codes
Phases
CALPRP Results
Derivative Limit
Calling Sequences for PROP-SET Property Monitors
Argument Descriptions for PROP-SET Property Monitors
PROPS
PHASES
KWDBS
XPCLV
KULAB
CALUPP Results
4 Calling Utility Subroutines
Packing Utilities
Report Header Utility
ISECT
Aspen Plus Error Handler
Terminal File Writer Utility
Utilities to Determine Component Index
Component Index Example
Plex Offset Utility
Other Utility
The Fortran WRITE Statement
5 User Unit Operation Models
User and User2 Fortran Models
Stream Structure and Calculation Sequence
NBOPST
Size
Integer and Real Parameters
Local Work Arrays
Simulation Control Guidelines
History File
Terminal File
Report File
Control Panel
Incorporating Excel Worksheets into User2
Extending the User2 Concept
Excel File Name
Fortran Routine
The Excel Template
Tables
The Helper Functions
The Hook Functions
The Sample Workbook
Creating or Converting Your Own Excel Models
Converting an Existing Excel Model
Customizing the Fortran Code
Accessing User2 Parameters
Accessing parameters by position
Accessing parameters by name
Other Helper Functions
User3 Fortran Models
Stream Structure and Calculation Sequence
NBOPST
USER3 Data Classifications
Size
Variable Types and Mapping Concepts
Scaling and Units Conversion in USER3
K Codes
Sparsity Example
Creating a USER3 Model
Additional User3 Subroutines
Physical Property Call Primitives
Low-Level Physical Property Subroutines
Other Useful USER3 Utilities
Component Object Models (COM)
6 User Physical Property Models
User Models for Conventional Properties
Principal User Model Subroutines for Conventional Properties
IDX
Partial Component Index Vectors
X, Y, Z
Real and Integer Work Areas
KOP
KDIAG
Calculation Codes
Range of Applicability
Units of Measurement
Global Physical Property Constants
User K-Value
Electrolyte Calculations
Model-Specific Parameters for Conventional Properties
Universal Constant Names and Definitions
Naming Model-Specific Parameters
Multiple Data Sets
Parameter Retrieval
User Models for Nonconventional Properties
Using Component Attributes
Principal User Model Subroutines for Nonconventional Properties
IDXNC
Real and Integer Work Areas
KOP
KDIAG
Range of Applicability
Model-Specific Parameters for Nonconventional Properties
Naming Model-Specific Parameters
Accessing Component Attributes
7 User Properties for Property Sets
Subroutine to Define a User Property
IDX
NBOPST, KDIAG, and KPDIAG
Phase Codes
Passing Phase Fraction and Composition Information
Component Order Independence
8 User Stream Report
Stream Report Subroutine
Stream Classes
PRPVAL
NRPT
Component IDs
9 User Blending Subroutines for Petroleum Properties
Petroleum Blending Subroutine
IDX
10 User Subroutines for Sizing and Costing
Sizing Model Subroutine
Integer and Real Parameters
ICSIZ
IRSLT
Costing Model Subroutine
11 User Kinetics Subroutines
Kinetics Subroutine for USER Reaction Type
Integer and Real Parameters
NBOPST
Local Work Arrays
Calling Model Type
STOIC
Reaction Rates
Component Attributes and Substream PSD
Component Fluxes in RPlug
COMMON RPLG_RPLUGI
COMMON RPLG_RPLUGR
COMMON RBTC_RBATI
COMMON RBTC_RBATR
COMMON RCST_RCSTRI
COMMON RXN_RCSTRR
COMMON PRSR_PRESRI
COMMON PRSR_PRESRR
COMMON RXN_DISTI
COMMON RXN_DISTR
COMMON RXN_RPROPS
User Kinetics Subroutine for REAC-DIST Reaction Type
NBOPST
STOIC
12 User Pressure Drop Subroutine for RPlug
RPlug Pressure Drop Subroutine
NBOPST
Integer and Real Parameters
Pressure
Local Work Arrays
COMMON RPLG_RPLUGI
COMMON RPLG_RPLUGR
13 User Heat Transfer Subroutine for RPlug
RPlug Heat Transfer Subroutine
NBOPST
Integer and Real Parameters
Local Work Arrays
COMMON RPLG_RPLUGI
COMMON RPLG_RPLUGR
Heat Flux Terms
14 User Heat Transfer Subroutine for RBatch
RBatch Heat Transfer Subroutine
Stream Structure
NBOPST
Integer and Real Parameters
Local Work Arrays
15 User Subroutines for RYield
RYield User Subroutines
NBOPST
Integer and Real Parameters
Local Work Arrays
16 User KLL Subroutines
User KLL Subroutine
IDX
X1, X2
NBOPST, KDIAG
Component Sequence Number
Integer and Real Parameters
17 User Pressure Drop Subroutine for Pipes and HeatX
User Pressure Drop Subroutine
User Liquid Holdup Subroutine
Integer and Real Parameters
NBOPST
Local Work Arrays
KFLASH
18 User Heat Transfer Subroutine for HeatX
HeatX Heat Transfer Subroutine
NBOPST
Integer and Real Parameters
Local Work Arrays
Equipment Specification Arrays
19 User LMTD Correction Factor Subroutine for HeatX
HeatX LMTD Correction Factor Subroutine
NBOPST
Integer and Real Parameters
Local Work Arrays
Equipment Specification Arrays
20 User Subroutines for RateSep
RateSep Binary Mass Transfer Coefficient Subroutine
Integer and Real Parameters
RateSep Heat Transfer Coefficient Subroutine
Integer and Real Parameters
RateSep Interfacial Area Subroutine
Integer and Real Parameters
RateSep Holdup Subroutine
Integer and Real Parameters
Packing Parameters
Packing Type Specification
Packing Vendor Specification
Packing Material Specification
Packing Size Specification
21 User Tray and Packing Subroutines
User Tray Sizing/Rating Subroutine
RTPAR
RTRSLT
User Packing Sizing/Rating Subroutine
Integer and Real Parameters
22 User Performance Curves Subroutine for Compr/MCompr
Performance Curve Subroutine
Integer and Real Parameters
Local Work Arrays
23 User Solubility Subroutine for Crystallizer
Crystallizer Solubility Subroutine
IDX
Integer and Real Parameters
Local Work Arrays
24 User Performance Curves Subroutine for Pump
Pump Performance Curve Subroutine
Integer and Real Parameters
Local Work Arrays
25 User Subroutines for Petroleum Property Methods
26 COM Unit Operation Interfaces
Components and Interfaces
Unit Interfaces
ICapeUnit Interface Methods
ICapeUtilities Interface Method
Port Interfaces
ICapeUnitPort Interface Methods
Parameter Interfaces
ICapeParameter
ICapeParameterSpec
ICapeRealParameterSpec Interface Methods
ICapeIntegerParameterSpec Interface Methods
ICapeOptionParameterSpec Interface Methods
Collection Interfaces
ICapeCollection Interface Methods
ICapeIdentification Interface Methods
ComponentDescription
ComponentName
Aspen Plus Interfaces
IATCapeXDiagnostic Interface Methods
IATCapeXRealParameterSpec
Methods for Equation-Oriented Simulation
ICapeNumericESO
ICapeNumericUnstructuredMatrix
ICapeNumericMatrix
ICapeUnitPortVariables
Installation of COM Unit Operations
Distributing COM Models to Users
Adding Compiled COM Models to the Aspen Plus Model Library
Version Compatibility for Visual Basic COM Models
Uninstalling COM Models
27 CAPE-OPEN COM Thermodynamic Interfaces
Material Templates
Material Objects
ICapeThermoMaterialObject Interface Methods
Physical Property System
ICapeThermoSystem Interface Methods
Property Package
Importing and Exporting
ICapeThermoPropertyPackage Interface Methods
Registration of CAPE-OPEN Components
28 COM Interface for Updating Oil Characterizations and Petroleum Properties
IAssayUpdate Interface Methods
Modifying Petroleum Properties During a Simulation
Recalculate Characterization Parameters
Additional IAssayUpdate Interface Methods
A Common Blocks and Accessing Component Data
Aspen Plus Common Blocks
COMMON DMS_ERROUT
COMMON DMS_FLSCOM
COMMON DMS_NCOMP
COMMON DMS_PLEX
COMMON PPUTL_PPGLOB
COMMON DMS_RGLOB
COMMON DMS_RPTGLB
COMMON DMS_STWKWK
COMMON SHS_STWORK
COMMON PPEXEC_USER
Accessing Component Data Using the Plex
FRMULA
IDSCC
IDSNCC
IDXNCC
Paramname
Using IPOFF3
Accessing Component Data using PPUTL_GETPARAM
B User Subroutine Templates and Examples
C Stream Structure
Substream MIXED
Substream CISOLID
Substream NC
Aspen Plus
User Models
Version Number: 2006
October 2006
Copyright (c) 2006 by Aspen Technology, Inc. All rights reserved.
Aspen Plus, aspenONE, the aspen leaf logo and Plantelligence and Enterprise Optimization are trademarks or
registered trademarks of Aspen Technology, Inc., Cambridge, MA.
All other brand and product names are trademarks or registered trademarks of their respective companies.
This document 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.
Aspen Technology, Inc.
Ten Canal Park
Cambridge, MA 02141-2201
USA
Phone: (1) (617) 949-1000
Toll Free: (1) (888) 996-7001
Fax: (1) (617) 949-1030
URL: http://www.aspentech.com
Contents
Who Should Read this Guide ...................................................................................1
Introducing Aspen Plus ...........................................................................................2
Related Documentation ................................................................................... 3
Technical Support .......................................................................................... 4
1 Writing and Using User Models............................................................................5
Fortran User Models ....................................................................................... 6
Moving to the Intel Fortran Compiler ....................................................... 7
Configuring Aspen Plus for Your Fortran Compiler ..................................... 7
Writing Fortran User Models................................................................... 8
Dynamic Linking Overview..................................................................... 9
Compiling Fortran User Models ..............................................................10
Supplying Fortran User Models to Aspen Plus ...........................................10
Creating Fortran Shared Libraries Using Asplink.......................................11
Writing DLOPT Files .............................................................................11
Specifying DLOPT Files for Aspen Plus Runs.............................................12
Modifying Asplink ................................................................................13
2 Calling the Flash Utility .....................................................................................14
Flash Utility FLSH_FLASH ...............................................................................14
Flash Types ........................................................................................16
RETN.................................................................................................17
IRETN................................................................................................17
Flash Results Stored in COMMON.....................................................................17
3 Calling Physical Property Monitors ....................................................................19
Calling Sequences for Thermodynamic Property Monitors ....................................20
Calling Sequences for Transport Property Monitors.............................................22
Calling Sequences for Nonconventional Property Monitors ...................................23
Calling Sequences for Thermodynamic and Transport Property Monitors with
Derivatives...................................................................................................23
Argument Descriptions for Physical Property Monitors.........................................24
IDX ...................................................................................................26
IDXNC ...............................................................................................27
Y, X, X1, X2, Z, CS ..............................................................................27
CAT...................................................................................................27
KDIAG ...............................................................................................27
Calculation Codes................................................................................27
Phases...............................................................................................28
CALPRP Results...................................................................................28
Contents
iii
Derivative Limit ..................................................................................28
Calling Sequences for PROP-SET Property Monitors ............................................29
Argument Descriptions for PROP-SET Property Monitors......................................30
PROPS ...............................................................................................31
PHASES .............................................................................................31
KWDBS..............................................................................................31
XPCLV ...............................................................................................31
KULAB ...............................................................................................32
CALUPP Results...................................................................................32
4 Calling Utility Subroutines.................................................................................33
Packing Utilities ............................................................................................33
Report Header Utility .....................................................................................34
ISECT................................................................................................35
Aspen Plus Error Handler................................................................................35
Terminal File Writer Utility ..............................................................................37
Utilities to Determine Component Index ...........................................................38
Component Index Example ...................................................................39
Plex Offset Utility ..........................................................................................39
Other Utility .................................................................................................40
The Fortran WRITE Statement.........................................................................41
5 User Unit Operation Models...............................................................................43
User and User2 Fortran Models .......................................................................43
Stream Structure and Calculation Sequence ............................................46
NBOPST .............................................................................................46
Size ..................................................................................................47
Integer and Real Parameters.................................................................47
Local Work Arrays ...............................................................................48
Simulation Control Guidelines ...............................................................48
History File.........................................................................................49
Terminal File.......................................................................................50
Report File .........................................................................................50
Control Panel ......................................................................................50
Incorporating Excel Worksheets into User2 .......................................................51
Extending the User2 Concept ................................................................51
Excel File Name ..................................................................................51
Fortran Routine...................................................................................51
The Excel Template .............................................................................52
Tables ...............................................................................................52
The Helper Functions ...........................................................................54
The Hook Functions .............................................................................56
The Sample Workbook .........................................................................57
Creating or Converting Your Own Excel Models ........................................58
Converting an Existing Excel Model ........................................................59
Customizing the Fortran Code ...............................................................60
Accessing User2 Parameters ...........................................................................64
Accessing parameters by position ..........................................................64
Accessing parameters by name .............................................................65
Other Helper Functions ........................................................................67
User3 Fortran Models.....................................................................................68
Stream Structure and Calculation Sequence ............................................72
iv
Contents
NBOPST .............................................................................................72
USER3 Data Classifications ...................................................................72
Size ..................................................................................................74
Variable Types and Mapping Concepts ....................................................74
Scaling and Units Conversion in USER3 ..................................................76
K Codes .............................................................................................77
Sparsity Example ................................................................................79
Creating a USER3 Model.......................................................................80
Additional User3 Subroutines ................................................................82
Physical Property Call Primitives ............................................................89
Low-Level Physical Property Subroutines ................................................92
Other Useful USER3 Utilities..................................................................94
Component Object Models (COM) ....................................................................94
6 User Physical Property Models ..........................................................................95
User Models for Conventional Properties ...........................................................96
Principal User Model Subroutines for Conventional Properties ............................100
IDX .................................................................................................105
Partial Component Index Vectors.........................................................105
X, Y, Z.............................................................................................106
Real and Integer Work Areas ..............................................................106
KOP ................................................................................................106
KDIAG .............................................................................................107
Calculation Codes..............................................................................107
Range of Applicability.........................................................................107
Units of Measurement ........................................................................107
Global Physical Property Constants ......................................................107
User K-Value ....................................................................................108
Electrolyte Calculations ......................................................................108
Model-Specific Parameters for Conventional Properties .....................................108
Universal Constant Names and Definitions ............................................109
Naming Model-Specific Parameters ......................................................109
Multiple Data Sets .............................................................................109
Parameter Retrieval.....................................................................................111
User Models for Nonconventional Properties ....................................................112
Using Component Attributes .........................................................................112
Principal User Model Subroutines for Nonconventional Properties........................113
IDXNC .............................................................................................114
Real and Integer Work Areas ..............................................................114
KOP ................................................................................................114
KDIAG .............................................................................................115
Range of Applicability.........................................................................115
Model-Specific Parameters for Nonconventional Properties ................................116
Naming Model-Specific Parameters ......................................................116
Accessing Component Attributes ...................................................................116
7 User Properties for Property Sets....................................................................118
Subroutine to Define a User Property .............................................................118
IDX .................................................................................................120
NBOPST, KDIAG, and KPDIAG .............................................................120
Phase Codes.....................................................................................120
Passing Phase Fraction and Composition Information........................................121
Contents
v
Component Order Independence ...................................................................121
8 User Stream Report.........................................................................................122
Stream Report Subroutine ............................................................................122
Stream Classes .................................................................................123
PRPVAL............................................................................................123
NRPT ...............................................................................................124
Component IDs.................................................................................124
9 User Blending Subroutines for Petroleum Properties ......................................125
Petroleum Blending Subroutine .....................................................................125
IDX .................................................................................................126
10 User Subroutines for Sizing and Costing........................................................127
Sizing Model Subroutine...............................................................................127
Integer and Real Parameters...............................................................128
ICSIZ ..............................................................................................128
IRSLT ..............................................................................................128
Costing Model Subroutine.............................................................................129
11 User Kinetics Subroutines .............................................................................130
Kinetics Subroutine for USER Reaction Type....................................................131
Integer and Real Parameters...............................................................134
NBOPST ...........................................................................................135
Local Work Arrays .............................................................................135
Calling Model Type ............................................................................135
STOIC .............................................................................................135
Reaction Rates..................................................................................136
Component Attributes and Substream PSD ...........................................136
Component Fluxes in RPlug.................................................................136
COMMON RPLG_RPLUGI .....................................................................137
COMMON RPLG_RPLUGR ....................................................................137
COMMON RBTC_RBATI.......................................................................138
COMMON RBTC_RBATR ......................................................................138
COMMON RCST_RCSTRI.....................................................................138
COMMON RXN_RCSTRR......................................................................139
COMMON PRSR_PRESRI .....................................................................139
COMMON PRSR_PRESRR ....................................................................139
COMMON RXN_DISTI.........................................................................140
COMMON RXN_DISTR ........................................................................140
COMMON RXN_RPROPS......................................................................141
User Kinetics Subroutine for REAC-DIST Reaction Type.....................................141
NBOPST ...........................................................................................143
STOIC .............................................................................................144
12 User Pressure Drop Subroutine for RPlug......................................................145
RPlug Pressure Drop Subroutine ....................................................................146
NBOPST ...........................................................................................147
Integer and Real Parameters...............................................................147
Pressure ..........................................................................................147
vi
Contents
Local Work Arrays .............................................................................148
COMMON RPLG_RPLUGI .....................................................................149
COMMON RPLG_RPLUGR ....................................................................149
13 User Heat Transfer Subroutine for RPlug.......................................................150
RPlug Heat Transfer Subroutine.....................................................................151
NBOPST ...........................................................................................152
Integer and Real Parameters...............................................................152
Local Work Arrays .............................................................................153
COMMON RPLG_RPLUGI .....................................................................153
COMMON RPLG_RPLUGR ....................................................................154
Heat Flux Terms................................................................................154
14 User Heat Transfer Subroutine for RBatch.....................................................155
RBatch Heat Transfer Subroutine...................................................................156
Stream Structure ..............................................................................157
NBOPST ...........................................................................................157
Integer and Real Parameters...............................................................157
Local Work Arrays .............................................................................157
15 User Subroutines for RYield ..........................................................................158
RYield User Subroutines ...............................................................................159
NBOPST ...........................................................................................161
Integer and Real Parameters...............................................................161
Local Work Arrays .............................................................................161
16 User KLL Subroutines ....................................................................................162
User KLL Subroutine ....................................................................................163
IDX .................................................................................................164
X1, X2 .............................................................................................164
NBOPST, KDIAG................................................................................164
Component Sequence Number ............................................................164
Integer and Real Parameters...............................................................164
17 User Pressure Drop Subroutine for Pipes and HeatX .....................................165
User Pressure Drop Subroutine .....................................................................166
User Liquid Holdup Subroutine ......................................................................168
Integer and Real Parameters...............................................................169
NBOPST ...........................................................................................169
Local Work Arrays .............................................................................170
KFLASH ...........................................................................................170
18 User Heat Transfer Subroutine for HeatX ......................................................171
HeatX Heat Transfer Subroutine ....................................................................171
NBOPST ...........................................................................................173
Integer and Real Parameters...............................................................173
Local Work Arrays .............................................................................173
Equipment Specification Arrays ...........................................................173
Contents
vii
19 User LMTD Correction Factor Subroutine for HeatX .......................................177
HeatX LMTD Correction Factor Subroutine.......................................................178
NBOPST ...........................................................................................179
Integer and Real Parameters...............................................................179
Local Work Arrays .............................................................................179
Equipment Specification Arrays ...........................................................180
20 User Subroutines for RateSep .......................................................................181
RateSep Binary Mass Transfer Coefficient Subroutine .......................................182
Integer and Real Parameters...............................................................184
RateSep Heat Transfer Coefficient Subroutine .................................................187
Integer and Real Parameters...............................................................188
RateSep Interfacial Area Subroutine ..............................................................190
Integer and Real Parameters...............................................................192
RateSep Holdup Subroutine ..........................................................................193
Integer and Real Parameters...............................................................195
Packing Parameters ...........................................................................198
Packing Type Specification..................................................................199
Packing Vendor Specification...............................................................199
Packing Material Specification .............................................................199
Packing Size Specification...................................................................200
21 User Tray and Packing Subroutines ...............................................................201
User Tray Sizing/Rating Subroutine ...............................................................202
RTPAR .............................................................................................204
RTRSLT............................................................................................204
User Packing Sizing/Rating Subroutine ...........................................................205
Integer and Real Parameters...............................................................206
22 User Performance Curves Subroutine for Compr/MCompr.............................207
Performance Curve Subroutine......................................................................208
Integer and Real Parameters...............................................................209
Local Work Arrays .............................................................................209
23 User Solubility Subroutine for Crystallizer.....................................................210
Crystallizer Solubility Subroutine ...................................................................210
IDX .................................................................................................212
Integer and Real Parameters...............................................................213
Local Work Arrays .............................................................................213
24 User Performance Curves Subroutine for Pump.............................................214
Pump Performance Curve Subroutine .............................................................214
Integer and Real Parameters...............................................................215
Local Work Arrays .............................................................................216
25 User Subroutines for Petroleum Property Methods........................................217
26 COM Unit Operation Interfaces......................................................................225
Components and Interfaces ..........................................................................227
viii
Contents
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