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Version 11.1
Part Number: Aspen Plus® 11.1
September 2001
Aspen Plus®, Aspen Properties®, Aspen Engineering Suite, AspenTech®, ModelManager, the aspen leaf logo and Plantelligence
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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.
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Contents
About This Reference Manual
For More Information ..................................................................................................... vi
Technical Support .......................................................................................................... vii
Contacting Customer Support ................................................................................ vii
Hours ....................................................................................................................... viii
Phone ....................................................................................................................... viii
Fax ............................................................................................................................. ix
E-mail ........................................................................................................................ ix
2 System Overview
Functional Overview of Aspen Plus ............................................................................. 2-2
User Interface System Files ......................................................................................... 2-4
Simulation Engine System Files .................................................................................. 2-4
Files Associated with a Simulation Run...................................................................... 2-5
The Aspen Plus Run Definition File ............................................................................ 2-6
Aspen Plus Utilities ...................................................................................................... 2-9
Simulation Engine Command Line Qualifiers ............................................................ 2-9
7 Accounting Report
Generating a User-Based Accounting Report..............................................................7-2
Running the Accounting Program................................................................................7-4
Creating a New Accounting File...................................................................................7-6
Making Accounting Information Required ..................................................................7-6
Activating Accounting on Windows..............................................................................7-7
Index
iv System Management
Version 11.1
About This Reference
Manual
This manual provides an overview of the Aspen Plus user interface and
simulation engine software system and information on how to maintain the
system on all supported platforms. This manual is especially useful to
Aspen Plus site administrators and system managers.
This manual provides detailed information on areas such as:
• Upgrading simulation files and user subroutines
• Hardware and software requirements
• System configuration
• Configuration of client/host systems
• Integrating in-house and user subroutines, databanks, and physical property
models
• Customizing the user interface
• Generating accounting usage reports
For information about installing Aspen Plus, see the Aspen Plus Installation
Guide for your platform
System Management v
Version 11.1
For More Information
Online Help Aspen Plus has a complete system of online help and
context-sensitive prompts. The help system contains both context-sensitive help
and reference information. For more information about using Aspen Plus help, see
the Aspen Plus User Guide, Chapter 3.
Aspen Plus Getting Started Guides This six-manual set includes a basic
guide with several hands-on tutorials to familiarize you with Aspen Plus, and
five additional guides covering specific topics. The guides take you step-by-step to
learn the full power and scope of Aspen Plus.
• Getting Started Building and Running a Process Model
• Getting Started Using Equation Oriented Modeling
• Getting Started Modeling Processes with Electrolytes
• Getting Started Modeling Petroleum Processes
• Getting Started Modeling Processes with Solids
• Getting Started Customizing Unit Operation Models
Aspen Plus User Guide The three-volume Aspen Plus User Guide provides
step-by-step procedures for developing and using an Aspen Plus process
simulation model. The guide is task-oriented to help you accomplish the
engineering work you need to do, using the powerful capabilities of Aspen Plus.
Aspen Plus reference manual series Aspen Plus reference manuals provide
detailed technical reference information. These manuals include background
information about the unit operation models and the physical properties methods
and models available in Aspen Plus, tables of Aspen Plus databank parameters,
group contribution method functional groups, and a wide range of other reference
information. The set comprises:
• Unit Operation Models
• Physical Property Methods and Models
• Physical Property Data
• User Models
• System Management
• System Administration
• Summary File Toolkit
Aspen Plus application examples A suite of sample online Aspen Plus
simulations illustrating specific processes is delivered with Aspen Plus.
vi System Management
Version 11.1
Aspen Engineering Suite Installation Manual This manual provides
instructions on platform and network installation of Aspen Plus and other
products.
The Aspen Plus manuals are delivered in Adobe portable document format (PDF)
on the Aspen Plus Documentation CD.
Technical Support
Online Technical Support Center
AspenTech customers with a valid license and software maintenance agreement
can register to access the Online Technical Support Center at:
http://support.aspentech.com
This web support site allows you to:
• Access current product documentation
• Search for tech tips, solutions and frequently asked questions (FAQs)
• Search for and download application examples
• Search for and download service packs and product updates
• Submit and track technical issues
• Search for and review known limitations
• Send suggestions
Registered users can also subscribe to our Technical Support
e-Bulletins. These e-Bulletins are used to proactively alert users to important
technical support information such as:
• Technical advisories
• Product updates
• Service Pack announcements
• Product release announcements
Phone
Support Phone Numbers
Centers
E-mail
Support Centers E-mail
System Management ix
Version 11.1
❖ ❖ ❖ ❖
x System Management
Version 11.1
Chapter 1
Compatibility Issues
Aspen Technology makes every effort to avoid changes in new releases that
introduce incompatibilities with old releases, and to provide migration utilities
when changes are unavoidable. However, most in-house modifications and user
models implemented in previous versions need to be updated or reapplied in
order to work with the new version.
To create backup files from Quick Restart format, set up the previous version of
Aspen Plus. At the command line, type:
mmbackup RunID
where RunID identifies the simulation model (in Quick Restart format) for which
you are creating the backup file.
To create a backup file from Aspen Plus Document format, open the file in the
version of Aspen Plus with which it was created and select File | Export.
Databank Files
You must rebuild all user and in-house databanks using the Aspen Plus Data
File Management System (DFMS). After an upgrade to a new version of Aspen
Plus, it is advisable to reapply any databank or system definition file (SDF)
modifications, as described in the next section.
For instructions on how to rebuild user and in-house databanks, see Chapter 4,
Adding User and In-House Databanks.
Note In Version 9.x of Aspen Plus, the file extension for these files was
PDF, but it has been changed to APPDF (Aspen Plus PDF) in
order to avoid conflicts with Adobe Acrobat® files.
Other Files
Version 11.1 is compatible with the following files from previous releases:
• Interactive Aspen Plus (IAP) scripts (.scp)
• Insert Libraries (.ilb)
• Stream Libraries (.slb)
• Run Definition (.def)
• Summary (.sum)
Load Modules
Generated program executables (load modules) from previous releases, including
general purpose load modules, are not compatible with Version 11.1. For Version
10, the Aspen Plus Simulation Engine has been divided into many Shared or
Dynamic Link Libraries (DLLs). Aspen Plus no longer has a single large program
executable. All documented interfaces to the Aspen Plus simulation engine have
been isolated into a small group of shared libraries.
Table 1.1 shows the settings that are saved in the user's Windows registry.
Within the user interface, you can access settings shown in the table by clicking
Tools, then Options.
Table 1.1 mmg.ini Settings You Can Change Within the User Interface
Menu Selections Option Setting
Tools, Options, General Allow run only when input is complete runanyway
Tools, Options, General Check inline Fortran for syntax errors ftn_check
Tools, Options, General Accounting information required to complete input account-info
Tools, Options, General Always create backup copy alwayssavebkp
Tools, Options, General Save document as defsaveasbkp
Tools, Options, General Copy buffer format – Value copyvalue
Tools, Options, General Copy buffer format – Units copyunits
Tools, Options, General Copy buffer format – Label copylabel
Tools, Options, General Copy buffer format – Basis copybasis
Tools, Options, General Time stamp timestamp
Tools, Options, Component Pure component databanks searched purebank
Data
Tools, Options, Component Binary databanks searched paramdata
Data
Tools, Options, Component Copy regression and estimation results onto Parameter forms regdbank
Data
Tools, Options, Component Generate input language using component
Data
Tools, Options, Results View Block results - Heat/Work variables globalqw, qwformat
Tools, Options, Results View Stream results – Temperature globaltemp, tempformat
Tools, Options, Results View Stream results – Pressure globalpres, presformat
Tools, Options, Results View Stream results – Total flow rate globalflow, flowformat
Tools, Options, Results View Stream results – Duty/Power globalstrmqw, strmqwformat
Tools, Options, Run Express run pseudobatch
Tools, Options, Run Interactively load results partial
Tools, Options, Run Animate flowsheet during calculations animation
Tools, Options, Run Edit keyword input before starting calculations editinput
continued
Table 1.1 mmg.ini Settings You Can Change Within the User Interface (cont.)
Menu Selections Option Setting
continued
Table 1.1 mmg.ini Settings You Can Change Within the User Interface (cont.)
Menu Selections Option Setting
Note In Version 10, you must compile user subroutines using the
Aspcomp utility. The native compiler does not recognize the
INCLUDE statements added by the Aspen Plus Fortran
conversion utility. See Aspen Plus User Models for more
information on the Aspcomp utility.
The following changes have been made to the Aspen Plus simulation engine:
• COMMON blocks are now stored in INCLUDE files
• Aspen Plus COMMONs have been renamed
• Aspen Plus routines have been renamed
The following sections describe these changes in detail.
INCLUDE Files
All Aspen Plus COMMON blocks are now stored in INCLUDE files. Rather than
referencing a local copy of a COMMON block, all user subroutines and
Aspen Plus input files with inline Fortran now reference the INCLUDE files. Any
customer COMMONs must have the identical variable list at every reference
point.
2 System Overview
This chapter provides a functional overview of Aspen Plus. It also describes:
• User interface system files
• Simulation engine system files
• Files associated with a simulation run
• The Aspen Plus Run Definition File
• Aspen Plus utilities
• Simulation engine command line qualifiers
Intel (2) Pentium Windows 95 SP1 (3) Digital Visual Fortran 6.0B 110 220
Intel (2) Pentium Windows 98 SE (3) Digital Visual Fortran 6.0B 110 220
(2) (3)
Intel Pentium Windows NT 4.0 with SP5 Digital Visual Fortran 6.0B 110 220
Scenario 1
A typical engineer performing a simulation does the following:
1. Specifies the problem on a graphical flowsheet using the Aspen Plus user
interface. The user interface provides a patented expert system to guide the
engineer through the problem specification.
2. Runs the simulation calculations interactively or in batch mode using the
user interface Run commands. The user interface and the simulation engine
communicate with each other using socket messages and ASCII files. For
details on communications between the user interface and the simulation
engine, see Aspen Plus System Administration.
3. Analyzes the simulation results using the Aspen Plus user interface and the
Aspen Plus history and report files.
Scenario 2
The engineer can also run the simulation engine independently of the user
interface. In this scenario, the engineer:
1. Creates a keyword input language file containing the problem specifications.
2. Runs the simulation engine interactively or in batch mode using the Aspen
command from the operating system command line.
3. Analyzes the simulation results using the Aspen Plus history and report files
generated by the simulation engine.
These methods can be combined. For example, a simulation created or modified
outside of the user interface can be loaded into the user interface for further
study.
The following sections list the files that the user interface and the simulation
engine use and create.
recdef.apr Data structure definition files, including physical property databanks and expert Binary
system rules
mmg.hms Hypertext Help messages Binary
mm.ini User interface communications initialization ASCII
mmg.ini User interface graphics initialization ASCII
*.hlp Help files and prompts Binary
You can export the following types of ASCII files from the File Export menu of
the user interface:
File Type File Name File Contains
.bkp Backup Input description, graphics, optionally results in a compact ASCII format that the
user interface can read
.cpm Control Panel Message Diagnostic messages displayed in the Control Panel
.inp Input Input description with or without graphics
.rep Report Simulation results.
.sum Summary Simulation results in format required by interfacing with other programs using
Summary file toolkit
.dynf Aspen Dynamics Language Pressure or flow-driven dynamic simulation file for Aspen Dynamics
.apt Application Template Partial or complete backup file containing default problem specifications
.dxf Flowsheet Drawing Flowsheet graphics
The following types of ASCII files are useful for diagnosing problems:
File Type Name Description
.cmp Compiler output Fortran compilation output for dynamic link on UNIX systems
.for Fortran Non-interpretable inline Fortran and Fortran user routine references on
Windows systems
.jnl Journal A record of all interactive commands and input changes
.ld Linker diagnostics Linker diagnostic output for dynamic link
.opt Linker options Linker directives for dynamic link
The engineer specifies the run definition file in the Run Settings dialog box in the
user interface. The names of files specified in the run definition file can exceed
eight characters. However, the name cannot contain any blank spaces in the
name of the file.
The engineer can also specify the run definition file at the operating system
command prompt when using the Aspen command by setting the symbol or
environment variable XDEF.
Table 2.2 lists valid symbols and specifications for the default file.
continued
ACR Generates accounting reports about Aspen Plus usage at a site. See Chapter 7.
CDFMS Creates Aspen Plus system and user cost databanks
DFMS Creates and updates Aspen Plus physical property databanks. See Aspen Plus Physical
Property Data.
GETRIDOF Deletes files created during a run
IFMS Creates and modifies Aspen Plus insert libraries
MMTBS User interface table building system. See Appendix A.
SDFRPT Generates reports on Aspen Plus language syntax. See Chapter 3.
STRLIB Creates and modifies Aspen Plus stream libraries
TBS Creates and modifies the Aspen Plus system definition file. See Chapter 3.
ASPLINK Generates user shared or dynamic link libraries. See Aspen Plus User Models.
ASPCOMP Compiles user Fortran subroutines. See Aspen Plus User Models.
For Windows versions of Aspen Plus, the Aspen command must be run from the
Aspen Plus Simulation Engine window.
Typographical Conventions
Following are the conventions used in the simulation engine command line
qualifiers:
Convention Represents
[ ] optional qualifier
italics variables, such as input_file. Substitute the appropriate name.
input_file......................... A file written in Aspen Plus input language that defines the problem to be simulated. The default
file type is .inp and does not need to be included in the command line. The input file is required for
all Aspen Plus runs, except for aspen /sponly.
RunID .............................. Use this qualifier for the current simulation program for single ID runs. For edit runs with two
IDs, the RunID is the identifier for the previous simulation program to be edited. You must always
specify this qualifier for edit runs. If the RunID is not specified for non-edit runs, it will default to
the input_file. The RunID is limited to eight lowercase characters. Aspen Plus uses it while
generating files needed during the simulation. Files generated by Aspen Plus use the RunID as the
file name, followed by a period and a three-character extension (for example, RunID.rep).
NewRunID....................... Use this qualifier only for a two-RunID edit run. When specified, information from the simulation
run that you want to edit, identified by the RunID value on the command line, will be copied into
new files created using the NewRunID and then modified using the edit input to generate new
simulation results. The information in the original simulation files is not modified. There must be
.appdf and .def files from the old RunID simulation before you can perform a two-RunID edit run.
/batch ............................. Use this qualifier for batch (background) mode runs. Only one run with any specific RunID may be
run at a time. You may log off after using the /batch option, and your batch job will continue to run
to completion.
/getridof ......................... Use this qualifier to delete the temporary files created by Aspen Plus during a run. The .his and
.rep files are appended to make an .out file for the run. All other files with the same RunID are
deleted. You should not use this qualifier if edit runs will follow.
/inhXXX=name ............... Use this qualifier to specify the name of an in-house databank to use in the current simulation.
Valid name specifications are inhpcd, inhsol, and inhaqu. If the option is specified without giving a
value, the default databanks on the Aspen Plus system directory are used. It is possible that one or
more of the /inhXXX options have been modified by the Aspen Plus system administrator at your
site making the desired in-house databank active for every simulation. If so, you do not need to
specify the /inhXXX option unless you wish to override the default set by the system administrator.
/insert=name.................. Use this qualifier to specify the full or relative path name of the insert library that contains inserts
referenced in the current simulation input file. A suffix of .ilb is assumed in the insert library name
and should not be included in the filename.
/itonly ............................. Use this qualifier to execute only the input translation step on your simulation input.
/log ................................. Use this qualifier to create a log of the messages written to the terminal for your current run. The
messages are written to the file RunID.log.
/mm ................................ If you specify /mm with /getridof, then the .sum and .sta files are not deleted. This allows you to
run Aspen Plus with the user interface.
/mmbackup .................... If you specify /mmbackup, then the input translator will create a .bkp file that can be restored to
the user interface. The qualifier /nommbackup disables this option even when the system has
/mmbackup turned on by default.
/ppXX=name .................. Use the pp1a, pp1b, pp2a, pp2b, and pp2c qualifiers to specify the name(s) of user physical property
databanks referenced in the simulation input file. You can specify all the databank options on the
command line, but you may specify each option only once. The argument is the full or relative path
name of the databank to be used in the simulation.
/sponly ............................ Use this qualifier to execute only the Simulation Program step. Specify the /sponly option to follow
an /itonly run, or to continue an interactive simulation run, or when you wish to perform a restart
of a previous simulation that failed because it exceeded the maximum simulation time or number
of iterations. The input_file name is not specified when /sponly is used. These options are not
allowed with /sponly: /itonly, /insert, /ucost, /ppXX, and /inhXXX.
/strlib ............................... Use this qualifier to specify the name of the stream library from which stream data should be
retrieved. The STREAM-LIB paragraph in an Aspen Plus input file is used to specify the stream
data to retrieve.
/ucost=name ................... Use this qualifier to specify the name of a costing data file used in your simulation problem. The
argument is the full or relative path name of the costing databank to be used in the simulation.
/dlopt=name.................... Use this qualifier to specify the name of a file containing a list of object files, archives, or shared
libraries that Aspen Plus should use when performing dynamic links of user routines. List object
and archive filenames one per line. Environment variables and wildcards (*) are allowed. See
Aspen Plus User Models for more information on Dynamic Link Options files.
/defaults=name............... Use this qualifier to specify the name of a file containing default options for your simulation
problem. For more information, see the Aspen Plus Run Definition File, this chapter.
/qsub [arguments] ......... This qualifier causes the job to be submitted to NQS (Network Queuing System) via the qsub
command for execution. Any arguments that appear after the /qsub option are passed as arguments
to the qsub command. This means that any Aspen Plus options must appear before the /qsub
option. Use of this option assumes that your system has the NQS software installed. NQS is not
part of Aspen Plus software.
❖ ❖ ❖ ❖
3 Maintaining and
Updating Aspen Plus
This chapter discusses various levels of customization to the Aspen Plus
simulation engine including the following topics:
• Modification Levels in Aspen Plus
• Maintaining User Routines
• Building System Shared Libraries
• Integrating In-House Models and Subroutines
• Running a System Definition File (SDF) Report
• Running the Aspen Plus Table Building System (TBS)
• Converting Version 9.x TBS Input Files
User Modifications
User level modifications are generally made for specific simulation models, but
can also be used for many users working on a project. User modifications include:
• User insert libraries
• Databanks
• User unit operation models
• Kinetic subroutines
• Property subroutines
• Stream libraries
The user develops any necessary subroutines, data, and files, and stores them in
the individual user's directories or in a shared location.
In-House Modifications
In-house modifications are used when modifications need to be available for all
Aspen Plus users. In-house modifications should be performed by the Aspen Plus
administrator. In-house modifications include:
• In-house databanks
• Built-in user unit operation and property models
• Insert files
Frequently, the user can choose between the in-house modifications or the
Aspen Plus system files as delivered.
System Modifications
Since system level modifications affect the files delivered with Aspen Plus, they
are usually more difficult to integrate into a new version than user or in-house
changes. Before making system changes, check whether any user or in-house
modifications can accomplish the same task.
Before creating or modifying system level files, make sure:
• The current Aspen Plus version is installed
• Your environment is set up for the correct version of Aspen Plus
• You use the Aspen Plus system administrator account with privileges to read,
write, and delete files in the Aspen Plus directory tree
When you make system-level changes, you can inadvertently introduce errors
into your system that are difficult to diagnose or fix. Follow these
recommendations to minimize potential problems:
1. If you need to modify an Aspen Plus system routine, contact the AspenTech
Hotline.
2. If you want to create entirely new unit operation models, cost blocks, utilities,
or physical property models, contact the AspenTech Hotline. This chapter
does not cover these types of modifications.
3. If you need to modify the Aspen Plus system source code, first copy the
original routine and then modify the copy. Document your changes with
appropriate comments.
4. Before you modify an Aspen Plus unit operation model, cost block, utility, or
physical property model, make a copy and give the copy a different name.
Modify the copy. This allows you to isolate any problems the new model might
have.
5. You should not need to modify the Aspen Plus system databanks. Use the
in-house databank feature for large amounts of user data. This avoids the
databank reconciliation problems associated with new releases.
6. The Aspen Plus installation creates the folder
c:\Program Files\AspenTech\Aspen Plus 11.1\Engine\inhouse
for storing in-house modifications, but you may store them elsewhere.
†
The parameter dbg is optional. Use it if you plan to debug these routines.
4. Run an input file that requires the user routine(s). For example, if the input
file is gmutest.inp and the RunID is test, type:
aspen gmutest test
You cannot set a breakpoint on the user routine until it has been loaded
dynamically into a process. First set a breakpoint on IT_USRDBG, the final
routine executed during input translation, then set a breakpoint in your user
routine.
After invoking Microsoft Developer Studio, you must set up a workspace for debugging. In
Microsoft Developer Studio:
5. Set the Program arguments to the Run ID for your simulation. Type:
TEST
6. Select OK.
7. From the Edit menu, select Breakpoints (Alt+F9).
8. In the Location tab in the Break at: text box, specify IT_USRDBG.
9. From the Build menu, select Start Debug, then Go.
10. In the dialog box indicating that apmain.exe does not contain debugging
information, click OK to continue.
11. Click Cancel to any requests for sources of routines beginning with IT_.
12. When IT_USRDBG is reached, set breakpoints in your user routines by
opening the Fortran file(s) containing your user routine(s). Select Open from
the File menu, navigate to your working directory, then select filename.f. Set
breakpoints (F9) in your user routine and then Go (F5).
See the Microsoft Developer Studio online help for more information on using the
debugger.
Module Requirements
All Fortran routines listed below must be present when rebuilding the respective
module, where ppuser, zeinit, zemhtxu, and zeusermod are the modules and the
.f files are the Fortran files required by the respective modules.
Note The modules ppuser, zeinit, and zeusermod are part of the Aspen
Physical Property System. Files for these modules are installed
with the APrSystem, by default in the directory
C:\Program Files\AspenTech\APrSystem 11.1\Engine\custom.
Module zemhtxu is used only by Aspen Plus and its files are in
C:\Program Files\AspenTech\Aspen Plus 11.1\Engine\custom.
This example illustrates rebuilding the ppuser module on Windows 95, 98 and
NT systems. For rebuilding modules other than ppuser, substitute the
appropriate module name. Follow these steps:
1. Open the Aspen Plus Simulation Engine window from the Aspen Plus
program group.
2. Use the Aspcomp command to compile your Fortran routines:
To compile Type this
Fortran files for your module in the Engine\Custom directory of Aspen Plus or the aspcomp *.f ppuser
APrSystem, including your modifications and additions
Objects with debug information aspcomp *.f dbg ppuser
3. Type the following command to create the shared library with Asplink:
asplink ppuser
Note Save the original .LIB and .DLL files before over-writing them
with the customized libraries.
4. Copy the rebuilt .LIB file into the Aspen Plus or APrSystem import library
directory (Engine\lib). Next, copy the rebuilt .DLL file into the Aspen Plus or
APrSystem Simulation Engine system directory (Engine\xeq).
Unit Operation Running the Aspen Plus Table Building System, this chapter
Physical Property Routines and Methods Chapter 5
2. Create your own custom version of the SDF. See Running the Aspen Plus
Table Building System, this chapter. Place this SDF file in your local
directory instead of in the system directory while you test your
customizations.
Where:
sdfname = Name of the SDF used for the report (the default is system
SDF).
outname = Name of the report file (the default is sdfrpt.rep).
SDFRPT displays the following prompt:
The following options are available for SDFRPT:
o Type in the name of a table. You can enter a ? before the
name for partial matching.
o Type HELP or <CR> to get a list of tables.
Enter a name or <CR> to get a list:
2. Enter the name of the table for which you want to generate a report.
SDFRPT tries to match this name with the list of SDF tables shown at the
end of this chapter and asks you to select a table.
For example, entering PRS for the table name generates the following list:
1. PRS PIPE TABLE
2. PRS TRANSFLO VALVE TABLE
3. PRS EMERGENCY RELIEF VENT TABLE
4. PRS RUPTURE DISK TABLE
5. PRS SAFETY RELIEF VALVE TABLE
SDFRPT performs partial matching if you enter a question mark (?) before
the name. For example, entering ?DATA for the table name generates the
following list:
1. DATA FILE SYMBOL TABLE
2. PITZER MODEL DATA
3. ELECTROLYTE NRTL MODEL DATA
4. COAL PROPERTY DATABANK
If you entered UOSM first, give the name of a UOS model next. If you entered
PKW, give the name of the PKW you want. If the name is misspelled, the
following message appears:
Cannot find the UOS model name: xxxxxx
Do you wish to try again? (y/n)
If you answer Then
SDFRPT generates a report file using the name you supplied. This report is
divided into two sections:
• Table of contents
• Formatted SDF tables
The following list contains the valid top level tables for SDFRPT:
Standard Option Sets Standard Major Property Routes
Component Attribute Type Definitions Subordinate Property Keyword List
Encoded Major Property Routes Encoded Subordinate Property Routes
Conventional Property Model Defs Non-conventional Property Model Defs
Labeled Common Definitions Data File Symbol Table
Physical Property Subroutine List Labeled Common List
Major Property Map Subordinate Property Map
Default Monitor CGT Indices UOSM
PKW Utility
Cost Block Units Conversion Table
Substream Type Table Substream Attr Type Table
Stream Attr Type Table Built-in Substream Class Table
Built-in Substream ID Table Built-in Stream Class Table
Built-in Substream Attribute Table Built-in Stream Attribute Table
The Constants Table Conven Top-level TKW Tables
Non-conven Top-level Tkw Tables Flowtran Block Table
Variable Type Table Convergence Table Special SKW Table
Econ Eval SKW Index Full
Distillation Curve Types Default PC Cut Point Temperatures
PC Properties PC Option Sets
Property Package Properties Property Package Substream Types
Property Groups Group Parameter Table
Group Binary Parameter Table Symbol
Pitzer Model Data Group Liquid Binary Parameter Table
Equation of State Binary Parameter Table Equation of State Pure Parameter Table
Electrolyte NRTL Model Data PCES Group Structure Definition Table
PCES Property Definition Table Old Group Binary Parameter Table
Old Group Liquid Binary Parameter Table Coal Property Databank
Periodic Table Reactions
PP User Subroutine List PRS Pipe Table
PRS Transflo Valve Table PRS Emergency Relief Vent Table
PRS Rupture Disk Table PRS Safety Relief Valve Table
The SDF is a structured file with individual entries called tables. There are three
types of tables:
• Primary Keyword Tables (PKW)
• Secondary Keyword Tables (SKW)
• Tertiary Keyword Tables (TKW)
Each table has:
• SKW tables linked to a specific PKW table
• TKW tables linked to a specific SKW table
Use TBS to add, delete, or replace entries within the top-level tables. When
modifying the PKW table (or any top-level table that has SKWs) you must
replace or delete the entire TBS source data file. You cannot replace data for an
individual SKW or TKW. To change data for an SKW, you must replace the
entire entry for the PKW that defines the SKW. The format of some of the tables
has changed since Version 9.x. For more details, see Converting Version 9.x TBS
Input Files, this chapter.
For example, suppose you want to change the default for the maximum number
of iterations (MAXIT) from 30 to 50 in a FLASH2 unit operation model (UOS)
block. Run TBS on the entire FLASH2 PKW table (FLASH2.UOS data file) that
contains the change for the MAXIT TKW.
This section describes how to modify existing tables. If you want to create a new
TBS table, contact the AspenTech Hotline. Creating a new top-level table, such
as a new unit operation block, is fairly complex. TBS input data has a fixed
format, which requires each character or number to be in a particular column. In
addition, there are many rules for writing a table.
All source data use one of eight file types. The TBS source data files consist of
PKW, SKW, and TKW tables.
For example, a TBS data file, STREAM.PKW, is used to define the stream
paragraph in an Aspen Plus input file. STREAM.PKW contains PKW, SKW, and
TKW tables. For this example:
• The PKW is called STREAM.
• Two of the SKWs are SUBSTREAM and MOLE-FLOW.
• Two of the TKWs are COMPONENT and FLOW.
This allows Aspen Plus to recognize the following entry in an Aspen Plus input
file:
STREAM FEED
MOLE-FLOW COMPONENT=WATER FLOW=100
Aspen Plus processes each keyword and tries to find the PKW table STREAM in
the SDF. Then Aspen Plus looks for the
• SKW table MOLE-FLOW
• TKW table COMPONENT and FLOW
File Types
The file type indicates the type of data in the file, as described in the table below:
All file types except .dat contain the minimum amount of TBS input needed to
define a single top-level table entry. These files contain the following line:
tabname REPLACE entrynam
Where:
tabname = Name of the table
entrynam = A unique entry in the table
This line also denotes the beginning of a table entry. Therefore, if you want to
change a single number in any top-level table entry, you must use the entire file
as input to TBS.
The .dat files contain all the data needed to define an entire top-level table.
Typically, these files contain many REPLACE lines, each followed by the data for
its table entry.
Updating SDFs
You must update the system SDF if one of these conditions exists:
• Site-specific unit operation, physical property, convergence, and other models
exist
• An update is needed to fix a problem
The files for creating the SDF are in the following directory. The header files
define the platform and initialize the SDF. The end files close the SDF.
Operating System Data Files
†
Windows C:\Program Files\AspenTech\APrSystem 11.1\Engine\TBS
†
If you installed Aspen Plus on a different drive or directory, use the appropriate path.
The type of header information in the input file depends on whether a new SDF
will be created or an existing SDF will be modified. The best way to create a new
SDF is by using the makesdf procedure to bring all the correct files together.
The TBS table input data is specific for the type of table. This data always begins
with the following line:
tabname REPLACE entrynam
or
tabname DELETE entrynam
Where:
tabname = Table name in columns 1-8
entryname = Name identifying this table entry in columns 21-28
The words REPLACE or DELETE must be in columns 10-16. REPLACE either
adds or replaces, depending on whether the entry exists. After the table name
follows the rest of the table input data. The input format is different for each
table. Appendix B shows the input format for physical property routes and
property methods. Contact the AspenTech Hotline for information on other table
types.
The first 0 occurs at the 8th column and the second occurs at the 11th column.
The following TBS files need to have a VIRT statement:
• All uos files (*.uos)
• All cost blocks (*.cst)
• All utility blocks (*.utl)
• Convergence (cnvrgnce.dat)
The following example shows the use of the VIRT statement unit operation
(UOS) model name XYZZ.
This example shows the use of the VIRT statement unit operation (UOS) model named XYZZ.
UOSM REPLACE XYZZ
XYZZ UXYZZI 1 41 0 0
-1 -1 -1 -999 1 0 0
0
0
-1 -1 -1 -999 1 0
0
3
WORK DUMMY 2 20 1
WORK IPTEMP 1 + 20 145 1 1
WORK RPTEMP 2 + 20 146 1 1
0 SIZE AREAS
VIRT 0 0
1
SKW SUBROUTINE SUBROUTINE SUBR 1
1
TKW MODEL MODEL MODL 3
MISSING
❖ ❖ ❖ ❖
4 Configuring Physical
Property Databanks
This chapter explains how to add user or in-house databanks to Aspen Plus and
how to customize the user interface to reflect those changes. It includes the
following topics:
• Adding User and In-House Databanks
• Adding Binary or Pair Parameter Databanks
• Adding Ionic Reactions to the Electrolyte Reaction Database
Once you add the databanks to the user interface, you will be able to:
• Select the new databanks and their search order on the Components
Specifications Databanks sheet
• Display the components on the Components Specifications Selection sheet or
in the Find Component dialog box
Where:
input_file = File containing DFMS input language. See Aspen Plus
Physical Property Data, Chapter 1. Input language must
appear in upper case. Do not enter the .inp extension in
the DFMS command.
output_file = Name you give the DFMS output file that contains the
requested reports and a trace of DFMS operations
The databanks created by DFMS are named dbname.dat, where dbname is the
databank name given in Table 1.1 of Aspen Plus Physical Property Data.
In-house databanks reside in the Aspen Plus system directory or in the directory
location specified by the environment variable XDATA. User databanks reside in
the current directory. When referencing previously built user databanks in
DFMS, make sure they are in the current directory.
After you have tested the user databanks, you can move them into the
Aspen Plus system directory, or leave them in your working directory. If you
move the user databanks into the Aspen Plus system directory and the databank
file names are different from the system default names, you must modify the
Aspfiles.def file, also located in the system directory, to reflect the new databank
name. Edit the Aspfiles.def and add the dbname using the appropriate entry as a
template for each databank type listed. See Run Definition Files, Chapter 2, for
more information on aspfiles.def file.
After creating your databank in Aspen Plus, define the databank location and
component list by creating a user interface databank input file.
Create an in-house databank (INHSPCD), containing your company's proprietary data. Store
the DFMS diagnostics and report in the file Run1.rep. The DFMS input file, Mydata.inp,
contains your company's data and the statement:
FILE INHSPCD INHSPCD NEW
Create a user databank (USRPP1A) containing data for a particular project. For this project all
Aspen Plus runs are made in the example directory
\AspenTech\Working Folders\Aspen Plus 11.1\projecta. Create a DFMS input file, ppdata.inp,
in \AspenTech\Working Folders\Aspen Plus 11.1\projecta. The file should contain the
statement:
FILE USRPP1A PROJA NEW
Store the DFMS diagnostics and report in the ppdata.rep file. From the directory
\AspenTech\Working Folders\Aspen Plus 11.1\projecta, enter the following command at the
command line prompt:
dfms ppdata ppdata
The DFMS command creates the usrpp1a.dat databank in the current directory.
This directory contains all the files referred to in the customization procedures.
You must create a user interface databank input file. The input file defines the
databank location and lists the aliases and long names for the components in
your databank. Name the file databankname.dat. This file name will be added to
the MMTBS driver file in the next section.
The file format is:
/* */
/* Enclose your comments in slash-asterisk like this */
/* */
DBANK ADD mmdbname
dbtype password
filename
alias-1 longname-1 charge-1
molwt-1 bp-1 vlstd-1
cas-1 class-1
alias-2 longname-2 charge-2
molwt-2 bp-2 vlstd-2
cas-2 class-2
. . .
Where:
mmdbname = Databank name (for a user databank) to be displayed by the
user interface on the Components Specifications Databank
sheet. For an in-house databank, specify INHSPCD,
INHSSOL, INHSAQUS, or INHSBIN.
dbtype = Databank type. For a user databank, specify USRPP1 or
USRPP2. For an in-house databank, specify NONE.
password = Databank password (for a user databank). Specify the
databank password you use when creating the databank on
your Aspen Plus host computer. Not required for an
in-housedatabank. Use a unique password for each user
databank. This value is not displayed in the user interface.
filename = Databank file name. Specify SYSTEM for an in-house
databank. For a user databank, specify:
• The full path name with file name and extension of your
databank on the Aspen Plus host (e.g., c:\user
databanks\project1.dat), or
• DEF_FILE, if the default file name will come from the
aspfiles.def file which resides on the Aspen Plus host.
The path may use the environment variable ${APRSYS} to
indicate the Aspen Physical Property System Engine directory.
For example, if APrSystem 11.1 is installed in
C:\Program Files\AspenTech\APrSystem 11.1
and the databank files are located in
C:\Program Files\AspenTech\APrSystem 11.1\Engine\Inhouse\Databank\
then you can specify
${APRSYS}\Inhouse\Databank\project1.dat for filename.
alias = Component alias, up to 12 characters (no embedded blanks)
You cannot create your own component class. Use one of the following classes
that are currently used by the built-in system databanks.
1-Alkenes Nitriles
2,3,4-Alkenes Nitroamines
Acetates n-Alcohols
Aldehydes n-Aliphatic-acids
Aliphatic-ethers n-Aliphatic-primary-amines
Alkylcyclohexanes n-Alkanes
Alkylcyclopentanes n-Alkylbenzenes
Alkynes Organic-salts
Anhydrides Organic/inorganic-compounds
Aromatic-alcohols Other-aliphatic-acids
Aromatic-amines Other-aliphatic-alcohols
Aromatic-carboxylic-acids Other-aliphatic-amines
Aromatic-chlorides Other-alkanes
Aromatic-esters Other-alkylbenzenes
C,H,Br-compounds
C,H,F-compounds Other-amines/imines
C,H,I-compounds Other-condensed-rings
C,H,NO2-compounds Other-ethers/diethers
C,H,multihalogen-compounds Other-hydrocarbon-rings
C1/C2-aliphatic-chlorides Other-inorganic-salts
C3/higher-aliphatic-chlorides Other-inorganics
Cycloaliphatic-alcohols Other-monoaromatics
Cycloalkanes Other-polyfunctional-C,H,O
Cycloalkenes Other-polyfunctional-organics
Dialkenes Other-saturated-aliphatic-esters
Dicarboxylic-acids Peroxides
Dimethylalkanes Polyfunctional-C,H,N,halide,(O)
Diphenyl/polyaromatics Polyfunctional-C,H,O,N
Elements Polyfunctional-C,H,O,halide
Epoxides
Ethyl/higher-alkenes Polyfunctional-C,H,O,S
Formates Polyfunctional-acids
Inorganic-acids Polyfunctional-amides/amines
Inorganic-bases Polyfunctional-esters
Inorganic-gases Polyfunctional-nitriles
Inorganic-halides Polyols
Isocyanates/diisocyanates Propionates-and-butyrates
Ketones Silanes/siloxanes
Mercaptans Sodium-salts
Methylalkanes Sulfides/thiophenes
Methylalkenes Terpenes
Multiring-cycloalkanes Unsaturated-aliphatic-esters
Naphthalenes
If you use a Fortran program to create this databank input file, you must remove
the Fortran carriage control attribute.
You can place your INCLUDE databankname.dat line anywhere within this
group of lines. These INCLUDE lines must stay together in the tbprop.dat file.
Add a new user PP1 databank, USRPP1A, to the databank list on the Components
Specifications Databanks sheet. K123 is the name of the databank to be displayed in the
Available Databanks list on this sheet. This databank was created on the Aspen Plus host
computer with the file name
c:\AspenTech\Working Folders\Aspen Plus 11.1\Project K123\USRPP1A.DAT. The password
for the databank is PRJK123.
2. In Tbprop.dat, an MMTBS driver file, add the INCLUDE K123.DAT line after
the PURE93 databank:
INCLUDE polymer.dat
INCLUDE segment.dat
INCLUDE pure11.dat
INCLUDE pure10.dat
INCLUDE pure93.dat
INCLUDE k123.dat
INCLUDE pure856.dat
INCLUDE ethylene.dat
INCLUDE aqueous.dat
INCLUDE aqu92.dat
INCLUDE inorgani.dat
INCLUDE aspenpcd.dat
INCLUDE solids.dat
INCLUDE combust.dat
3. Add desired Help files on your databank following the procedure described in
Adding Help for a User or In-House Databank, this chapter.
4. Enter the following command to add the databank:
mmcustom mmtbs
5. To verify that the databank is correctly installed, launch Aspen Plus and open
the file custom.bkp located in your customization directory.
This starts the user interface locally to use the modified RecDef file.
Otherwise, the unmodified system copy of the RecDef file is used.
6. Go to the Components Specifications Databanks sheet and move K123 to the
list of selected databanks. Click the Components Find button on the
Components Specifications Selection sheet. Confirm that a search for
"BROMIDE" will instruct Aspen Plus to find the three "bromide" components,
after selecting K123 as your only choice in the Components Specifications
Databanks sheet.
7. Install the modified files in the system directory. At the system prompt enter:
custinst
File Format
The format for the binary and pair parameter input file is:
/* */
/* All input starts in column 1 */
/* Enclose your comments in slash-asterisk like this sentence */
/* Do not put comment lines in the middle of a DBANK REPLACE section */
/* Column numbers for data entry are unimportant as long as */
/* there is at least 1 blank between entries */
/* */
/* Do not exceed 80 columns */
/* */
/* All parameter values must be in SI units */
/* */
DBANK REPLACE GAMKIJ
paramtype
n_sections
n_params paramname sym_1 sym_2 . . .
n_labellines
n_labels label1 label2 . . .
. . .
. . .
n_labels label1 label2 . . .
n_modellines
eosmodel gammamodel databankname
n_comp_pairs
comp-i comp-j data1 data2 . . . . . .
. . . . . . . . . . . .
. . . . . . . . . . . .
comp-i comp-j data1 data2 . . . . . .
. . . . . . . . . . . .
. . . . . . . . . . . .
. . .
. . .
Table 4.1 describes parameters for the Binary Pair Parameter Input file.
Table 4.1 Parameters for the Binary and Pair Parameter Input File
Parameter Description
List only one parameter (n_params = 1) when you specify a vector or multiple
element parameters like NRTL.
For example, NRTL has eight elements. Elements 1, 2, 5, and 6 are asymmetric,
while the rest are symmetric:
DBANK REPLACE GAMKIJ
1
1
1 NRTL 0 0 2 2 0 0 2 2
For example, NRTL needs three lines (n_labellines = 3) to specify all labels. Each
line has four labels (n_labels = 4)
3
4 aij aji bij bji
4 cij dij eij eji
4 fij fji Tlower Tupper
Since only one label needs to be defined for symmetric parameters, only enter cij ,
not cji.
The parameter labels determine how you must enter the parameter values. The
number of parameter values you enter in a row must be exactly the same as the
number of parameter labels defined for the corresponding row.
Component Aliases
You can use the comp-i and comp-j variables to indicate component aliases for
components i and j.
For pair parameters, use a $ between the aliases of two ionic species that form
the electrolyte. For example, for GMELCC pair parameters of H2O and (H+ and
HCO3–) enter:
1 GMELCC 0
1
2 cij cji
1
ESRK GMENRTL ENRTL-RK
302
H2O H+$HCO3- 8.045000 -4.072000
...
Scalar Parameters
Use the following template for scalar parameters, such as the Hayden-O'Connell
binary parameter, HOCETA:
DBANK REPLACE GAMKIJ
1
1
1 HOCETA 2
1
1 aij
1
ESHOC ALL EOS-LIT
1
C2H4O2 C2H4O2 4.5
Running MMTBS
After creating your databank file and modifying the MMTBS driver file, you need
to run MMTBS to update the user interface to reflect your changes. To run
MMTBS, use the following command:
mmcustom mmtbs
For a detailed description of the user interface customization files and their
locations, see Appendix A.
To test your customization, launch the Aspen Plus User Interface and open the
file custom.bkp located in the custom directory. This starts the interface locally.
If you do not start the user interface using this command, Aspen Plus uses the
unmodified system copy of the RecDef file. Verify that the reactions you added
can be selected in the Reactions Chemistry forms, or in the Electrolyte Wizard.
Enter this command at the DOS prompt to install the changes made to the user
interface system directory:
custinst
❖ ❖ ❖ ❖
5 Configuring Physical
Property Methods
This chapter describes how to customize the Aspen Plus physical property
system. These customizations apply to all Aspen Plus and Properties Plus runs.
This chapter includes the following topics:
• Overview
• Customizing the Aspen Plus Simulation Engine
• Customizing the Aspen Plus User Interface
• Creating In-House Physical Property Models, Routes, and Methods
Overview
The major steps for customizing the physical property methods are:
1. Modify or create Aspen Plus simulation engine customization files.
2. Run the Aspen Plus Table Building System (TBS) to update the simulation
engine with your changes.
3. Test your changes in the simulation engine using input language.
4. Use essentially the same customization files from the Aspen Plus simulation
engine to customize the user interface. Run the Aspen Plus user interface
Table Building System (MMTBS) to update the user interface Record
Definition (RecDef) files.
5. Modify or create Help files to add Help and prompts for your changes.
6. Run the Aspen Plus user interface Hypertext Management (HTM) system to
update the binary Help file, mmg.hms, with the new information.
7. Test your changes in the Aspen Plus user interface.
8. Copy the modified files to the system directory for general use.
3. Run the Table Building System (TBS) to modify the System Definition File
(SDF).
4. Install the SDF file in Aspen Plus.
The following sections describe these steps.
Table 5.1 TBS Files Used to Customize the Physical Property System
File Name Description
†
*.lcd Property parameter definitions
The files listed in Table 5.1 are located in the Aspen Physical Property System
TBS directory:
Operating System Directory
† C:\Program Files\AspenTech\APrSystem 11.1\Engine\tbs
Windows
†
If you install Aspen Plus on a different disk drive or directory, enter the appropriate drive name and
directory location.
These files are delivered in compressed format. You must extract them by using
the following command:
Operating System Command
Windows extr_tbs
Where filename.lis is the file containing the list of all TBS customization files.
The maketbs command creates the tbsupd.dat file. This file lets you run TBS
to update the SDF.
4. If you want to combine all the TBS files in your local directory into one file
without creating the list file, use this command:
maketbs all
2. Run the TBS using the TBS update file, tbsupd.dat, created in the previous
section:
tbs tbsupd.dat
You can then delete the SDF file from the customization directory.
5. Define each new subroutine in the Physical Property Subroutine List Table.
See Appendix B, Figure B.3 for their locations. Next, you must modify the
following:
System Fortran routine To call the Filename
9. Copy the Aspen Plus System Definition File (SDF) to your customization
directory. See Running the Aspen Plus Table Building System, this chapter.
10. Run TBS to update the SDF using the tbsupd.dat file:
tbs tbsupd.dat
This example creates a customized version of the PENG-ROB property method, called PR-LK.
The new property method uses:
• The Lee-Kesler model to calculate mixture enthalpy, entropy, and Gibbs energy
• An in-house model, VLMOD, to calculate liquid mixture molar volume
The VLMOD model is coded in a Fortran subroutine called VL900. You must create:
• A new route, VLNEW, to use the VLMOD model
• A new property parameter, VLLC, to store and pass the parameter for the VLMOD model
To add a property method to the simulation engine:
1. Create a customization directory as your working directory. Define the new property
method PR-LK based on an existing property method, PENG-ROB. Copy the property
method definition for PENG-ROB (the peng-rob.sto file) into a new file called pr-lk.sto.
HVMX24 HVMX13
HLMX106 HLMX13
GVMX30 GVMX13
GLMX106 GLMX13
SVMX24 SVMX13
SLMX98 SLMX13
VLMX20 VLNEW
The underlined entries in the following table show how the routes appear in the
pr-lk.sto file:
PPSTOPTN REPLACE PR-LK
35
PHIVMX PHIVMX38 PHILMX PHILMX104 HVMX HVMX13
HLMX HLMX13 GVMX GVMX13 GLMX GLMX13
SVMX SVMX13 SLMX SLMX13 VVMX VVMX24
VLMX VLNEW MUVMX MUVMX02 MULMX MULMX03
KVMX KVMX01 KLMX KLMX01 DVMX DVMX02
DLMX DLMX02 SIGLMX SIGLMX02 PHIV PHIV09
PHIL PHIL11 HV HV09 HL HL12
GV GV09 GL GL11 SV SV09
SL SL10 VV VV07 VL VL01
DL DL01 DV DV02 MUL MUL01
MUV MUV01 KV KV01 KL KL01
SIGL SIGL01 PHIS PHIS06
2. In the ppenmprt.dat file define the new route, VLNEW, that uses the new model VLMOD.
Add this change to the end of the ppenmprt.dat file:
PPENMPRT REPLACE VLNEW
VLMX 1
1
VLMX VLMOD 1 900
0
0
0
0
You do not need to modify the ppensprt.dat file, because the new property method does
not require a new subordinate property route.
3. In the ppcnvpmd.dat file, define the new model VLMOD. This model references the
Fortran subroutine VL900 and the property parameter VLLC. This model does not use
work area, model option codes, or an initialization subroutine. (From Figure B.1, n1 = 0,
n2 = 0, iwaq = iwal = iwac = 0, rwaq = rwal = rwac = 0.)
Also save the table in another file, vlmod.dat, which will be used in the Aspen Plus user
interface customization.
The new subroutine VL900 is defined in step 4. The new property parameter VLLC is
defined in step 5.
4. In the ppsublst.dat file, define the new subroutine VL900. Add the following line to the end
of the ppsublst.dat file:
PPSUBLST REPLACE VL900
You must also modify the system routine ppuser_mdmon9 to call the new routine vl900 as
described in Appendix B, Modifying Aspen Plus System Routines. Compile both vl900.f
and mdmon9.f in the customization directory.
5. In a new vllc.lcd file, define the new property parameter VLLC. This is a unary scalar
parameter with parameter index number = 900. It defaults to missing (1D35) and can be
regressed. The units for this parameter are SI. Units conversion is not allowed (the
conversion code of 44 for dimensionless units is used).
PPLCDEFS REPLACE VLLC
User Molar Volume
1 1 0
1 900 1
1D35
1
44
1
44
6. Prepare these TBS files for running TBS by creating the TBS update file. In a new file
called pr-lk.lis, list all the TBS files:
pr-lk.sto
ppenmprt.dat
ppcnvpmd.dat
ppsublst.dat
vllc.lcd
7. Copy the Aspen Plus System Definition File (SDF) to your working directory. See Running
the Aspen Plus Table Building System, this chapter.
Use the following command to run the MMTBS to update the RecDef files.
mmcustom mmtbs
Note You must have write access to the user interface system directory
to run custinst.
This example is a continuation of the example Adding a Property Method to the Simulation
Engine. You can directly use the TBS file ppenmprt.dat created in the previous example after
deleting all lines starting with the "C$" characters.
Append this file To this user interface file
Since no new files are created, the driver tbcustom.dat does not need to be updated.
Copy the above files to the customization directory for the Aspen Plus user interface, as
follows:
C:\Program Files\AspenTech\APrSystem 11.1\GUI\Custom
To add the property methods and Help information to the user interface, follow these steps:
1. Run MMTBS to update the user interface RecDef files using the TBS input files you
created:
mmcustom mmtbs
2. Create a new file, pr_lk.hxt, to store all your Help and prompts. To add the user interface
Help and prompts for the new property method PR-LK, add the following to the pr_lk.hxt
file:
>p_replace P_PPSTOPTN_PR-LK
Peng-Robinson with Lee-Kesler for enthalpy and in-house model
for liquid molar volume. Help for description
>endmessage
>h_replace H_PPSTOPTN_PR-LK
custom.hlp #1
>endmessage
The file custom.hlp is created following the procedure described in Appendix A for the
creation of Windows Help. Figure 5.1 shows the contents of the custom.rtf file that may be
used to create the Windows Help.
For more information on Windows Help, see Creating Help and Prompts, Appendix A.
3. Add a prompt for the new major property route VLNEW to the pr_lk.hxt file.
>p_replace P_PPENMPRT_VLMX_VLNEW
Liquid mixture molar volume calculated using in-house VLMOD model
>endmessage
4. Add a prompt for the new property model VLMOD to the pr_lk.hxt file.
>p_replace P_PPCNVPMD_VLMX_VLMOD
In-house model for liquid mixture molar volume
>endmessage
5. Add the prompt for the new liquid molar volume parameter VLLC to the pr_lk.hxt file:
>p_replace P_PPLCDEFS_VLLC
Parameter for the in-house model for liquid mixture molar volume, VLMOD
>endmessage
6. Modify the Help driver file, tbcustom.hxt, to list your Help file, pr_lk.hxt. Use this command
to update the user interface binary Help file:
mmcustom htm
7. To confirm your customization, start the user interface. Go to the Properties Specifications
Global sheet and get the list on the Property Method list box. Confirm that PR_LK appears
on the list.
8. On the Properties Property Methods Routes sheet, confirm that route HVMX13 calculates
the property HVMX, route HLMX13 calculates the property HLMX, and so on.
10. On the Property Methods Models sheet, confirm that Aspen Plus calculates the property
VLMX, using the model VLMOD.
11. On the Parameters Pure Component Scalar form, use List on the Parameters field.
Confirm that the parameter VLLC appears in the list.
12. Install the RecDef and Help files into the user interface system directory by using the
command:
custinst
The new property method with customized routes and models are now installed for in-house
use.
Property Change
Liquid Mixture Enthalpy Uses Lee-Kesler Enthalpy Model.
Liquid Mixture Entropy Uses Lee-Kesler Entropy Model.
Liquid Mixture Gibbs Free Energy Uses Lee-Kesler Gibbs Free Energy Model.
Liquid Molar Volume In-House Model.
6 Configuring Pressure
Relief, Pipe, and Valve
Equipment Data
This chapter contains the following topics:
• Overview
• Liquid Service Safety Relief Valves
• Gas/2-Phase Service Safety Relief Valves
• Rupture Disks
• Pipes for Pressure Relief and the Pipe Model
• Emergency Relief Vents
• Inlet and Tail Pipe Vents
• Valves for the Valve Model
Overview
Pres-Relief (the Aspen Plus pressure relief calculation system) and the Valve and
Pipe unit operation models uses table that define pipes, valves, emergency relief
vents, and rupture disks. You can customize these tables by changing the
appropriate data files (located in the user interface CUSTOM directory) and
processing them using the Aspen Plus User Interface Table Building System
(MMTBS).
For more information about running MMTBS and applying your changes, see
Chapter 4.
The over-pressure factor defaults to 1.1. To customize the table, modify the
liqtable.dat file. Figure 6.1 shows the file organization.
Where:
no_types = Number of types
name_typei = Name of ith type. Repeat this section for each type.
no_manuf = Number of manufacturers
name_manufj = Name of jth manufacturer. Repeat this section for each
manufacturer.
no_series = Number of series from the jth manufacturer
seriesk = Name of kth series. Repeat this section for each series.
no_size = Number of sizes for kth series
sizem = A character string specifying the nominal size, up to 20
characters
t_diamm = Throat diameter for mth size in inches
i_diamm = Inlet diameter for mth size in inches
o_diamm = Outlet diameter for mth size in inches
cdm = Discharge for mth size coefficient
opfm = Over-pressure factor for mth size factor
To customize the table, modify the gastable.dat file. Figure 6.3 shows the
organization of the file. The indentation is for reading clarity only.
Where:
no_types = Number of types
name_typei = Name of ith type
no_manuf = Number of manufacturers
name_manufj = Name of jth manufacturer. Repeat this section for each
manufacturer.
no_series = Number of series from the jth manufacturer
seriesk = Name of kth series. Repeat this section for each series.
no_size = Number of sizes for kth series
sizem = A character string specifying the nominal size, up to 20
characters.
t_diamm = Throat diameter for mth size in inches
i_diamm = Inlet diameter for mth size in inches
o_diamm = Outlet diameter in inches
cdm = Discharge coefficient
Where:
manuf = Manufacturer type
no_style = Number of styles
name_stylei = Name of ith style. Repeat this section for each style.
no_sizes = Number of sizes for ith style
nom_diamj = Nominal diameter for jth size, up to 10 characters
act_diamj = Actual diameter in inches for jth size
cdj = Discharge coefficient for jth size
Where:
material = Material type, up to 12 characters
no_sch = Number of schedules available for material type
schedulei = Schedule value for ith schedule, up to 10 characters. Repeat
this section for each schedule.
no_diam = Number of diameters for this schedule
nom_diamj = Nominal diameter for jth diameter in inches, up to 10
characters.
act_diamj = Actual internal diameter for jth diameter in inches
roughnessj = Absolute roughness in feet
Figure 6.8 is an abbreviated version of the delivered pipe.dat file for carbon-steel.
The comments provided here are not included in the file.
Where:
manuf = Manufacturer type
no_style = Number of styles for ith manufacturer
name_stylei = Name of style
no_sizes = Number of sizes in style
nom_diamj = Nominal diameter for jth size, up to 10 characters.
act_diamj = Actual diameter in inches for jth size
setpointj = Suggested setpoint in psig for jth size
Figure 6.10 is an abbreviated version of the delivered ervtable.dat file. The file
does not include comments.
891d 4
K=
Cv 2
Where d is the valve diameter in inches
For more information about this method, see Flow of Fluids Through Valves,
Fittings, and Pipe, Technical Paper No. 410, Crane Co., 104 N. Chicago St.,
Joliet, IL 60434, 1988, p. A-31.
To customize the valve table, modify the transflo.dat file. Figure 6.11 shows the
file organization. The indentation is for reading clarity only.
Where:
manuf = Manufacturer type
no_styles = Number of styles available for manufacturer type
name_stylei = Name for ith style. Repeat this section for each style.
no_sizes = Number of sizes
nom_diamj = Nominal diameter for jth size in inches
port_areaj = Port area in square inches for jth size
flow_coeffj = Flow coefficients for jth size
Figure 6.12 is an abbreviated version of the delivered transflo.dat file. The file
does not include comments.
To customize the table, modify the valve.dat file. Figure 6.13 shows the
organization of the file. The indentation is for reading clarity only.
Where:
name_typei = Name of ith valve type
no_manufs = Number of manufacturers
name_manufj = Name of jth manufacturer
no_series/style = Number of series/styles
name_series/stylek = Name of kth series/style
no_sizes = Number of valve sizes
sizel = A character string specifying the nominal valve size
no_points = Number of entries for valve position, flow coefficient,
pressure drop ratio factor, and pressure recovery
factor
Vp1 ... Vpn = n entries for valve position (as percentage of
maximum opening)
Cv1 ... Cvn = n entries for corresponding valve flow coefficient
XT1 ... XTn = n entries for corresponding pressure drop ratio factor
Fl1 ... Fln = n entries for corresponding pressure recovery factor
Figure 6.14 is an abbreviated version of the delivered valve.dat file. The file does
not include comments.
continued
❖ ❖ ❖ ❖
7 Accounting Report
This chapter contains the following topics:
• Generating a User-Based Accounting Report
• Running the Accounting Program
• Creating a New Accounting File
• Making Accounting Information Required
• Activating Accounting on Windows
You can use the Aspen Plus accounting program to generate reports on the use of
Aspen Plus at a particular site. Every Aspen Plus run writes run information to
the Aspen Plus accounting file, which is stored in the Aspen Plus accounting
directory. The accounting program generates reports based on information in the
accounting file. You specify the level of detail to include in the report. The top
levels of detail are:
• Number of runs for each user
• A user-based accounting report showing the number of runs for each user in
each of the three months in a calendar quarter
• A non user-based accounting report showing the number of runs plus details
in an arbitrary time period
• Statistical information about usage at the site, including several measures of
problem size
• Statistical information about usage by each user and a list of runs made by
each user
You can select the type of report to generate and the time period to report when
you run the accounting program.
The accounting program has different reporting capabilities from the
AspenTech License Manager, described in the AspenTech License Manager
Installation and Reference Guide. The License Manager only records
simultaneous use of Aspen Plus and layered products (that is, more than one
person running Aspen Plus at the same time). The accounting program reports
information about each run.
The accounting file is not generated by default under Windows. To activate the
accounting file for Windows platforms, see Activating Accounting on Windows,
this chapter. You must activate the accounting program before any Aspen Plus
usage will be recorded.
You are prompted for the name of the accounting file. The default name is
given in brackets:
Enter the Aspen Plus Master Accounting Filename
[C:\Progra~1\ASPENT~1\ASPENP~1.1\Engine\xeq\Aspen.msf]:
Answer yes.
7. The system asks for which calendar quarter you want to generate the report:
PLEASE SELECT THE TIME PERIOD:
1 FIRST QUARTER
2 SECOND QUARTER
3 THIRD QUARTER
4 FOURTH QUARTER
5 OTHER TIME PERIOD
In most cases, the detailed report is not needed. You may want to generate
the report if the number of runs reported in the standard report is
questionable. Generating the detailed report will increase the time required
to run the program.
10. Answer yes or no.
The accounting program will begin running. The length of the run depends on the
size of the accounting file.
The files created by the accounting program are:
File Description
runid.rp1 Contains a table listing the users and the number of runs made. One table is created for each month.
runid.rp2 Contains a listing of each run made. This file is generated only if you answer yes in Step 9.
4. The system prompts you for the name of the accounting file. The default
name is given in brackets:
Enter the Aspen Plus Master Accounting Filename
[C:\Progra~1\ASPENT~1\ASPENP~1.1\Engine\xeq\Aspen.msf]:
The accounting report contains tables of usage based on your choices. The
logon ID is the Windows account name. The remaining four items (account
number, project ID, project name, and user name) can be entered on the
Setup Specifications Accounting sheet in the Aspen Plus user interface. See
the Aspen Plus User Guide, Volume 1, Chapter 5.
The program asks for the beginning and ending dates for the report:
PLEASE ENTER THE DATE FOR THE START OF THE REPORTING PERIOD. (MM DD YYYY)
PLEASE ENTER THE DATE FOR THE END OF THE REPORTING PERIOD. (MM DD YYYY)
9. Enter the start and end dates. The program selects and reports on the
Aspen Plus runs that occurred between the start and end dates.
You are asked if you want the detailed run statistic report and the user
report:
DO YOU WANT THE RUN STATISTICS TABLES AND USER REPORTS? (YES/NO)
The user reports contain statistical information on runs made by each user.
Detailed information is given on each run made by each user, including the
date, time, and the input file name. In most cases, this information is not
needed. If you answer yes to this question, it takes considerably longer to
generate the accounting report.
10. Answer yes or no.
The accounting program begins running. The length of the run depends on the
size of the accounting file.
The accounting program creates these files:
File Description
runid.his History file. Contains information on the run, such as number of records read, run time, and options chosen.
runid.urp User report file. Contains detailed information on each ID found in the reporting period. Includes a log of every
†
Aspen Plus run made, a run analysis summary, and a resource unit summary.
†
runid.srp System report file. Contains statistics for all Aspen Plus runs made during the reporting period.
runid.rp1 Report file. Contains short form information of Aspen Plus usage.
runid.rp2 Contains a listing of each run made when the detailed report option is specified.
†
Generated for non user-based reports when Run Statistic Tables and User Report is specified.
4. Execute the accounting program. Use the appropriate command for your
operating system:
Operating System Command
Windows ACR NEWFILE
If you want to modify the Aspen Plus simulation engine to require accounting
information, contact the AspenTech hotline. You need a License Key Certificate
for the AspenTech License Manager.
Windows 95/98
1. Append the following line to the bottom of the AUTOEXEC.BAT file for all
appropriate PCs:
SET ASPACCT=ON
Windows NT
For Windows NT systems, set the accounting environment variable for the
system rather for a single user account.
1. On the Task bar, click Start, then Settings, and Control Panel.
2. Double-click the System icon, and go to the Environments sheet.
3. Click any variable labeled as System Variables in the list.
4. At the bottom of the page, click the Variable field and replace the entry with
ASPACCT.
5. Click the Value field and replace the entry with ON.
6. Click Set, then OK to save the settings.
❖ ❖ ❖ ❖
recsav.apr User interface record definition file in binary format (RecDef file)
mmg.hms Help file in binary format
pp***.dat User interface input files (See Table 7.1)
lcd_cust.dat User interface property parameter customization file
mdl_cust.dat User interface property model customization file
*.hxt User interface Help and prompt files
*.srt User interface table sort files
tbcustom.dat MMTBS driver file
tbcustom.hxt HTM Help driver file
The *.dat and *.hxt files for Windows are in the following Aspen Plus user
interface system directory:
C:\Program Files\AspenTech\APrSystem 11.1\GUI\custom
To customize the Aspen Plus user interface, follow these steps:
1. Create a directory to store the customization files you need to modify.
2. Modify the files.
3. Test your customization in the new directory.
You can use most simulation engine TBS (Table Building System) files for
directly running MMTBS.
For the simulation engine, Aspen Plus stores each property method or parameter
definition separately in a .sto or .lcd file. The following table describes where
property methods and parameter definitions for the user interface are stored:
For property methods, add your customized .sto file, without the TBS header and
footer, to the Aspen Plus user interface file, ppstoptn.dat.
For parameter definitions, store your customized TBS pplcdef.dat files in a
special user interface file, lcd_cust.dat. Do not store them with the user interface
system file, pplcdefs.dat.
For property model definitions, store your customized files from the TBS
ppcnvpmd.dat file in a special user interface file, mdl_cust.dat. Do not store them
with the user interface system file ppcnvpmd.dat.
You can use the customized ppenmprt.dat and ppensprt.dat files directly in the
user interface.
For more information:
To modify the See this topic
pp***.dat customization files Creating In-House Physical Property Models, Routes, and Methods, Chapter 5
listed in Table A.1
Databank files Adding User and In-House Databanks, Chapter 4
Creating Help
Aspen Plus uses the Windows Help system to display Help. To create your own
Help integrated with the Aspen Plus Help files, follow these steps:
1. Modify the existing Help source file(s) in Microsoft Word.
2. Assign map numbers to Help topics in the Help project file (.hpj).
3. Compile the Help source file(s) into a Windows Help file.
4. Modify the Aspen Plus user interface to integrate the new Help you created.
You can also build an optional table of contents file. Table A.2 lists the files you
need to create your own Help:
You need Microsoft's Help compiler to compile the Help source files into Help.
You can obtain the Help compiler and utilities from:
http://support.microsoft.com/support/kb/articles/Q170/6/89.asp
The files listed in Table A.2 have been tested and work with Microsoft Word 7.0
and the Microsoft Help Workshop 4.03.
It is recommended that you use Microsoft Word Version 7.0 to edit the Help
source files. You can use any word processing program that reads and writes
Rich Text Format (RTF), but some of these programs may not be able to read the
Word formatted template we provide.
Note A Help popup window does not have scroll bars, so for help
displayed in a popup window, you should limit the amount of
information in a topic to a few lines.
If you want to add more topics than the number supplied in the custom.rtf file,
you may copy and paste the example topic information into a new .rtf file. You
will, however, need to change the topic identifier of the new topic. In Windows
Help, each Help topic is identified by a unique topic ID. To change the topic ID
after copying and pasting a topic, follow these steps:
1. In the newly created file that contains the pasted example topic, from the
View menu, select Footnotes. The system displays a # footnote with the text
"Topic1" next to it.
2. Change the text "Topic1" to a topic ID of your choice. This ID must be unique,
such as Topic4. It cannot begin or end with spaces, cannot begin with a
number, and it cannot contain these symbols: # = + @ * % !
3. Next to the $ footnote sign, change the title "Topic1" to the title of your Help
topic.
4. As you incrementally add Help topics in this way (one per .rtf file), ensure
that you change each topic's ID to a unique identifier every time.
When saving your Help source file(s) before compiling, make sure you save them
with the file extension .rtf. The Help compiler only accepts .rtf files.
3. Add a map number by clicking Add and entering the topic ID and map
number. Edit an existing Map number by selecting the topic and clicking edit.
The topic ID you enter must be the same as the topic ID you used for the #
footnote for the topic in the .rtf file. See Modifying the Help Source Files, this
chapter, for more information.
If you add more topics to your Help by creating new Help source (.rtf) files, then
you need to add the names of the new files to the .hpj file:
1. Open the appropriate .hpj file that AspenTech provides (custom.hpj), using
Microsoft Help Workshop.
2. Click the Files button on the right side of the custom.hpj window.
The Topic Files dialog box appears.
3. Click Add to add the names of your new .rtf files.
Important Do not change other sections of the .hpj file that AspenTech
provides. Some changes can result in compiler errors.
4. Update the contents file, if desired. When you double-click the custom.cnt file,
it should open in Help Compiler Workshop. Use the buttons at the right to
add additional topics and headings, or to rearrange them. When you add a
topic, be sure to specify its topic ID (the string in its # footnote in the help
source file).
5. To install and test your customized Help, you need to copy the files to the
system using the custinst command (see Installing the New Files, this
chapter). To just update the help files without updating other files, copy the
.hlp and .cnt files to the GUI\xeq directory of programs which will use them,
such as C:\Program Files\AspenTech\Aspen Plus 11.1\GUI\xeq .
Where:
custom.hlp = Name of the Help file
#100 = Map number for the WILSON-X, property method Help topic
It is also useful to provide prompts for your customization. Prompts are included
in the Aspen Plus Help (*.hxt) file.
Prompts Format
Prompts have the following format in the Help file:
>p_replace P_context_string_ID
Prompt text
>endmessage
Where:
>p_replace = Command that identifies the beginning of the
prompt
P_context_string_ID = Unique text string that identifies the prompt. The
format is P_filename_parameter. For example, the
context string ID for the parameter CPIG is
P_PPLCDEFS_CPIG.
Prompt text = Text to be displayed in the prompt area
>endmessage = A signal indicating the end of the prompt text
Prompts can be up to two lines, with 126 characters per line. Prompts for
component databanks use a different format and are stored in the tbmsg.txt file.
See Adding Prompts and Help for a User or In-House Databank, Chapter 6, for
more information.
This example shows a prompt for the Wilson activity coefficient model. The context_string_ID
is the TBS file name, property name, and model name:
PPCNVPMD_GAMMA_GMWILSON
>p_replace P_PPCNVPMD_GAMMA_GMWILSON
Wilson model for liquid phase activity coefficient
>endmessage
You must run the command Mmcustom to incorporate your changes into the
interface. See Running the User Interface Customization System, this appendix.
If you add property parameters, models, routes, and methods to the existing
MMTBS files, you do not need to change the MMTBS driver file. If you save your
changes in new files, modify the MMTBS driver file to include the names of the
new files.
If you add Help and prompts to existing Help files (*.hxt), list the names of the
modified Help files in tbcustom.hxt before running the HTM program. If you save
your Help and prompts in new files, list the new file names in the tbcustom.hxt
file.
2. Update the HTM driver file (tbcustom.hxt) to list the .hxt files that have been
added or modified.
3. Enter the following command to update the user interface Help file with your
Help and prompts:
mmcustom htm
When the user interface customization is complete, you may erase the RecDef
and .hlp files in the customization directory. Save the TBS input, .hxt, .rtf, .cnt,
and .hpj files for customizing future releases of the user interface.
❖ ❖ ❖ ❖
Figure B.1 File Layout for the Conventional Property Model Definition Table
1 1 2 2 3 3 4 4 5 5 6 6 7 7 8
12345 67890 5 0 5 0 5 0 5 0 5 0 5 0 5 0
4 n1
6 n2
8 n3
10 n4
Table B.1 Parameters for the Conventional Property Model Definition Table
Parameter Description
♦ Integer work area = iwaq * NCC2 + iwal *NCC + iwac, where NCC is the total number of conventional components in the
simulation. The integer work area required is determined by the size of any temporary integer storage area required in the
mainline subroutines.
♦♦ Real work area = rwaq * NCC2 + rwal*NCC + rwac, where NCC is the total number of conventional components in the
simulation. The real work area required is determined by the size of any temporary real storage area required in the
mainline subroutines.
♦♦♦ Enter four values or names on each line. Use as many lines as necessary.
Table B.2 describes the layout of the mid1, mid2, and mid3 Model Implemented
Derivative Codes for the Conventional Property Model Definition Table.
The model name for the UNIQUAC activity coefficient model is GMUQUAC. This model
calculates activity coefficients (propname = GAMMA). The subroutine returns analytical
estimates of:
• The property [GAMMA(i)]
2 2
• Its first and second order temperature derivatives [d(GAMMA(i))/dT, d (GAMMA(i))/dT ]
• The property first order mole number composition derivative, and its first order
2
temperature derivative [d(GAMMA(i))/dn(j), d (GAMMA(i))/dTdn(j)]
• The property first order mole fraction composition derivative, and its first order temperature
2
derivative [d(GAMMA(i))/dx(j), d (GAMMA(i))/dTdx(j)]
2
It does not require any integer work area, but it requires real work area with size = 2 * NCC +
6 * NCC. NCC is the total number of conventional components in the simulation. This model
does not have a model option code. It requires:
• One initialization subroutine (GM07)
• One mainline subroutine (GM06)
• Six property parameters (GMUQR, GMUQQ, GMUQL, GMUQAA, GMUQQ1, and UNIQ)
1 1 2 2 3 3 4 4 5 5 6 6 7 7 8
12345 67890 5 0 5 0 5 0 5 0 5 0 5 0 5 0
1 PPCNVPMD REPLACE GMUQUAC
3 0 0 0 2 6 0
4 0
5 1
6 GM07
7 1
8 GM06
9 6
11 GMUQQ1 UNIQ
When the number of option codes is zero (n1 = 0), you do not need to supply the option code
values. The line for entering opcode is skipped.
Figure B.2 File Layout for the Property Parameter Definition Table
1 1 2 2 3 3 4 4 5 5 6 6 7 7 8
12345 67890 5 0 5 0 5 0 5 0 5 0 5 0 5 0
1 PPLCDEFS REPLACE ppname
2 Parameter description
4 i j k ppno l m
12 units conv code units conv code units conv code units conv code
13 no units row
14 ur ur ur ur
Table B.3 describes the parameters for the Property Parameter Definition Table:
continued
Table B.3 Parameters for the Property Parameter Definition Table (cont.)
Parameter Description
l Regression code:†
0 = No regression code. Parameter cannot be regressed.
1 = Supply regression code
m Symmetry code for binary parameters:†
0 = No symmetry code
1 = Supply symmetry code
default value Parameter default value (in SI units, one value per element). Required.
lower bound Parameter lower bound (in SI units, one value per element)
upper bound Parameter upper bound (in SI units, one value per element)
nominal value Parameter nominal value (in SI units, one value per element)
regression code 0 = Cannot be regressed†
1 = Can be regressed
2 = Unconditionally used in regression. Defaulted on the
Properties Regression form.
> 5 = Delta T. If delta T of data is greater than the code value, the parameter
can be regressed.
< 0 = Number of data points. If number of data points is greater than the
absolute value of the code, the parameter can be regressed.
symmetric code Symmetric code for binary parameters:†
0 = Totally asymmetric (aij ≠ aji). Requires two labels.
1 = Used for HENRY, VLCLK (restricted to aij; aji has no meaning).
Requires one label.
2 = Symmetric (aij = aji). Requires one label.
3 = Anti-symmetric (aij = -aji). Requires two labels.
param label Parameter label displayed on the Properties Parameters forms (optional)
units conv code Encoded units conversion flag (see Units Conversion Flag, this chapter).
no units row Number of unique units row referenced in units conv code††
ur List of unique units row referenced in units conv code††
units conversion formula See Units Conversion Formula, this chapter.
† Defaults to zero.
†† Units rows for all units in Aspen Plus are summarized in Table B.4.
Table B.4 describes the units rows for all units in Aspen Plus.
continued
A...Z Parameter element identifier in the units A = 1st element, Z = 26th element,
conversion formula AA = 27th element
[i] Units conversion multiplication factor of the ith [20] = pressure
units row (see Table B.4.)
Special Case [22B] Addition conversion factor of temperature 273.15 for converting ºC to K
Aspen Plus allows the following functions in the units conversion formula:
Function Description Example
* Multiply x y * = x*y
/ Divide x y / = x/y
+ Add x y + = x+y
- Subtract x y - = x-y
^ Exponentiation x y ^ = xy
? Conditional x ? = x ?1:0; if x exists returns 1, if not returns 0
log Natural log x log = log(x)
; End of formula —
Use the conditional ("function?") to ask if a parameter exists (see the following
example). The conditional is often used for absolute temperature requirements.
An example is the extended Antoine equation. When the ln(T) term is non-zero,
you must use the absolute temperature units. The additive portion of the
temperature conversion factor, [22B], is ignored. See the following example for
more details.
The following equation calculates liquid vapor pressure (PL) as a function of temperature. The
equation has six parameters (A, B, C, ..., F):
ln(PL) = A + B/T + C*ln(T) + D*T for E < T < F
The first four parameters are the correlation coefficients. The last two parameters are
temperature limits of the correlation.
The six parameters (A...F) are represented by a vector of six elements. A is the first element,
B the second, up to F, the sixth element. If the parameter contains additional elements, you
can use G for the seventh element, and so on. Once you exhaust A to Z, you can use AA,
AB,...AZ. After AZ, you can use BA, BB, and so on.
Where:
If elements B and C are not zero, Aspen Plus can convert the formula only if it assumes
absolute temperature units (ºR or ºK). The conversion formula and conditional function (?)
addresses this situation.
The units conversion codes, and units conversion formulas for the property parameters
definition file of this parameter are listed in the following table:
1 1 2 2 3 3 4 4 5 5 6 6 7 7 8
12345 67890 5 0 5 0 5 0 5 0 5 0 5 0 5 0
1
2 -1 -2 44 -3
3 22 22
4 3
5 20 22 44
7 B [22] * ;
8 D [22] / ;
The first units conversion code (–1) indicates that the conversion formula for the first element
(A) is on the first line of the units conversion formula section (line 6, above).
The second conversion code (–2) indicates that the conversion formula for the second element
(B) is on the second line of the units conversion formula section (line 7, above). This
conversion would have been –3, had the first formula wrapped to the second line. You can use
up to 72 columns on one line to specify the formula.
The 44 indicates this is a simple conversion. It uses units row 44, dimensionless, from Table
B.4. Therefore, the third element (C) is not converted.
The 4th conversion code (–3) points to the third formula line (line 8, above) for conversion of
element four (D).
On the second line of the units conversion codes, (line 3, above) the two 22s indicate simple
temperature conversion for the lower and upper temperature limits.
Units conversion formulas are used for the second (B) and fourth (D) elements, although their
conversions do not involve other elements. Absolute temperature units must be used when
these elements are non-zero. Only the multiplicative conversion factor [22] should be used. If
you use the simple conversion code of 22, the parameters will be converted incorrectly:
To show the sequence of operation, parentheses are added to the conversion formula of
element 1:
The term containing [22B] contains the additive factor for temperature. You cannot use this
factor if B or C is non-zero. If B exists:
• The (B ?) returns a value of 1
• The expression (1(B ?)–) becomes zero. Similarly, if C exists, (1(C?)–1) also becomes
zero.
The expression ((1(B?)–)(1(C?)–)*) is multiplied to the additive temperature factor, resulting in
a value of zero. Consequently, [22B] is not used in the conversion. If B were 0, then
(1 (B ?) –) would be 1.
Aspen Plus displays a warning when absolute temperature units are assumed because B or C
is non-zero.
The following lines taken from lines 4 and 5 in the table above indicate that the units
conversions use three unique units rows. The units rows are 20, 22, and 44 (obtained from
Table B.6):
3
20 22 44
TC is a unary parameter (pptype = 1). Only one data set is allowed (dataset = 0). TC has a
lower bound of 5 ºK, upper bound of 5000 ºK, and a nominal value of 507.4 ºK. TC cannot be
regressed in the user interface. (1 is not specified in column 30 of line 4. 1 defaults to zero.)
TC has units of temperature (units row = 22).
1 1 2 2 3 3 4 4 5 5 6 6 7 7 8
12345 67890 5 0 5 0 5 0 5 0 5 0 5 0 5 0
1 PPLCDEFS REPLACE TC
2 Critical temperature
3 1 1 0 1
4 1 1 1 416
5 1D35
6 5.
7 5000.
8 0.5074D3
9 22
10 1
11 22
PLXANT is a unary parameter (pptype = 1) with a vector of length 9 (i = 9). It can have more
than one data set (dataset = 1). The first element of this parameter defaults to missing
(-1D35). The second to seventh elements default to zero. The lower temperature limit (element
8) defaults to 0 ºK. The upper temperature limit (element 9) defaults to 1000 ºK. The lower
bound and upper bound for the parameter values are not provided (j = 0), but the nominal
values are given (k = 1). The first seven elements can be regressed. The first four elements
can be defaulted automatically in DRS (regression code = 2). The fifth element defaults if the
experimental vapor pressure data cover a temperature range of 100 ºC or more. The last two
elements cannot be regressed because they are the temperature limits of the correlation. The
parameter elements 1, 2, 3, 4, and 6 require a complex units conversion formula. Elements 5,
7, 8, and 9 can be units converted using a simple units conversion formula. Three unique units
rows are used (no units row = 3, ur = 20 for pressure, 22 for temperature, and 44 for
dimensionless).
1 1 2 2 3 3 4 4 5 5 6 6 7 7 8
12345 67890 5 0 5 0 5 0 5 0 5 0 5 0 5 0
1 PPLCDEFS REPLACE PLXANT
2 Extended Antoineparameters
3 1 1 1 10
4 9 1 356 1
5 -1D35 0 0 0
6 0 0 0 0
7 1D3
8 .893609D2 0 0 0
9 0 0 0 0
10 1D3
11 2 2 2 2
12 100 1 1 0
13 0
14 -1 -3 -4 -5
15 44 -6 44 22
16 22
17 3
18 20 22 44
19 A [20] LOG + E [22] LOG * - D [22B] [22] / * 1 E ? - 1 F ? - 1 G ? - * * * - ;
20 B [22] * ;
21 C [22] * [22B] 1 E ? - 1 F ? - 1 G ? - * * * - ;
22 D [22] / ;
23 F [22] G ^ / ;
WILSON is a binary parameter (pptype = 2) with six elements (i = 6). It can have more than
one data set (dataset = 1). Ion is not allowed (kion = 2). The first four elements:
• Default to zero
• Can be regressed (regression code > 0)
• Are asymmetric (symmetric code = 0)
The last two elements are temperature limits which default to zero and 1000 ºK. The
temperature limits cannot be regressed (regression code = 0) and are symmetric (symmetric
code = 2). The parameter labels appear on Properties Parameters Binary forms.
Elements 1, 2, and 4 require complex units conversion formulas which begin on lines 1, 2, and
3, respectively, of the Units Conversion Formula section. Element 3 is dimensionless (units
flag = 44). The last two elements have temperature units (units flag = 22).
1 1 2 2 3 3 4 4 5 5 6 6 7 7 8
12345 67890 5 0 5 0 5 0 5 0 5 0 5 0 5 0
1 PPLCDEFS REPLACE WILSON
3 2 3 1 1 2
4 6 0 480 1 1
6 0D0 1D3
7 60 2 100 1
8 0 0
9 0 0 0 0
10 2 2
13 Tlower Tupper
14 -1 -2 44 -3
15 22 22
16 2
17 44 22
19 B [22] * ;
20 D [22] / ;
Figure B.3 File Layout for the Physical Property Subroutine List Table
1 1 2 2 3 3 4 4 5 5 6 6 7 7 8
12345 67890 5 0 5 0 5 0 5 0 5 0 5 0 5 0
1 PPSUBLST REPLACE subrname
After modifying any of these routines, you must rebuild the ppuser shared
library. See Chapter 3.
2. Specify the initialization routine names in the DATA statement for variable
ISUB. For example, suppose the two initialization routines are USRIN1 and
USRIN2. The DATA statement should read:
DATA ISUB/4HUSRI, 4HN1 ,4HUSRI,4HN2 /
4. For each label defined in step 3, call the initialization routine with the routine
name defined in step 2. For example:
10 CALL USRIN1 (MNDS)
GO TO 10000
20 CALL USRIN2 (MNDS)
GO TO 10000
Where MNDS is the maximum number of data sets defined for this model and
is in the argument list of phcciu.f. Do not define MNDS. Instead, pass MNDS
as an input variable to the initialization routine.
Use label 10 to call the mainline subroutine defined for a property model that
has a computed GO TO index of 900 (parameter idxcgt=900 in Figure B.1).
Use label 20 to call a subroutine corresponding to idxcgt=901, and so on.
2. For each label defined in step 1, call the mainline subroutine. The following
input variables are available:
Equation-of-state subroutines for mixtures are used to calculate both pure and
mixture properties when invoked from an equation-of-state-based property
method (for example, PENG-ROB). These user models are invoked from the
system routine ppuser_esmnu (file esmnu.f). The pure component version of the
models is necessary only if the user wants the equation of state to also calculate
pure component reference states for activity coefficient based methods. In this
case, the user routines are invoked from the system routine ppuser_esmnu0 (file
esmnu0.f).
Label 1010 is used to call the first in-house equation-of-state model that has a
computed GO TO index of 51 (parameter idxcgt = 51 in Figure B.1 for
propname = EOS or parameter idxcgt = –51 for EOS0). Use label 1020 to call
the EOS subroutine corresponding to idxcgt = 52 (or –52 for EOS0). This
section handles both property calculations and property temperature
derivative calculations.
2. For each label defined in steps 1 and 2, call the mainline equation-of-state
routine. The following input variables are available:
Variable Type Dimension Description
2 propname method
3 n1
5 n2
7 n3
9 n4
11 n5
Figure B.5 shows the layout for the Subordinate Property Route table:
2 propname method
3 n1
5 n2
7 n3
9 n4
11 n5
Major property route PHILMX24 calculates liquid fugacity coefficients for components in the
mixture (propname = PHILMX) using calculation method 3. This route requires two property
models (n1 = 2). The first model is the NRTL activity coefficient model (model = GMRENON,
mdlprop = GAMMA), which has no model option code (n2 = 0). This route uses Henry's law for
noncondensable components.
This route uses To calculate Henry's constants for
The WHENRY model has one model option code (n2 = 1). The option code value of 2
(m-opcode = 2) indicates the Henry's constant in the mixture is calculated by surface-area
averaging. For solvents, this route calculates the reference state fugacity coefficient (majprop
= PHIL) by the major property route PHIL04. The major property route PHILMX24 uses one
route option code (n5 = 1), with option code value of 1 (r-opcode = 1).
1 1 2 2 3 3 4 4 5 5 6 6 7 7 8
12345 67890 5 0 5 0 5 0 5 0 5 0 5 0 5 0
1 PPENMPRT REPLACE PHILMX24
2 PHILMX 3
3 2
5 0
7 1
8 2
9 1
10 PHIL PHIL04
11 1
12 HNRY HNRY01
13 1
14 1
The subordinate property route, DHL00, calculates pure component liquid enthalpy departure
(propname = DHL). This route uses calculation method 3 (method = 3). The liquid enthalpy
departure is calculated from:
• Vapor enthalpy departure at saturation condition (temperature and vapor pressure)
• Enthalpy of vaporization
• A term to account for the effect of pressure on liquid enthalpy
The vapor pressure (mdlprop = PL) is calculated from the extended Antoine model
(model = PL0XANT) which has no model option code (n2=0). The heat of vaporization
(mdlprop = DHVL) is calculated from the Watson model (model = DHVLWTSN). The vapor
enthalpy departure (subprop = DHV) is calculated from subordinate property route DHV00. The
liquid enthalpy pressure correction (subprop = DHLPC) is calculated from subordinate property
route DHLPC00. This route does not reference any major property route (n3 = 0) and does not
use the route option code (n5 = 0).
1 1 2 2 3 3 4 4 5 5 6 6 7 7 8
12345 67890 5 0 5 0 5 0 5 0 5 0 5 0 5 0
1 PPENSPRT REPLACE DHL00
2 DHL 3
3 2
4 PL PL0XANT 1 101
5 0
7 0
8 0
9 2
11 0
Figure B.6 File Layout for the Standard Physical Property Method Table
1 1 2 2 3 3 4 4 5 5 6 6 7 7 8
12345 67890 5 0 5 0 5 0 5 0 5 0 5 0 5 0
1 PPSTOPTN REPLACE opsetid
2 n
2 34
14 SIGL SIGL01
❖ ❖ ❖ ❖
Index C
Command line qualifiers 2-9, 2-10
Compatibility issues 1-2
load modules 1-4
maintaining upward compatibility 1-4
system definition files 1-3
A user interface initialization files 1-4
Compiling Help source files A-7
Accounting Compiling user routines 3-4
program 7-4 Configuring
report 7-1 physical property databanks 4-1
report, user-based 7-2 physical property methods 5-1
required information 7-6 Converting
Accounting environment variable TBS input files 3-17
setting 7-8 user routines 3-9
Accounting file Converting Fortran
creating 7-6 COMMONs renamed 1-8
initializing 7-7 INCLUDE files 1-8
Accounting program inline 1-8
activating 7-8 routine names 1-9
Adding Help subroutines 1-8
for databanks 4-7 Creating
Aspen Plus custom SDF files 3-9
COMMONs renamed 1-8 databank input files 4-4
customizing simulation engine 5-2 databanks 4-2
customizing user interface 5-6 Help files A-3
debugging 3-5 physical property models, routes, methods B-1
Help files, modifying A-8 user interface input files 4-10
INCLUDE files 1-8 Customization files
in-house modifications 3-3 MMTBS A-2
introduction 2-2 Customization system for user interface
maintaining and updating 3-1 running A-10
modification levels 3-2 Customizing
routine names 1-9 Aspen Plus simulation engine 5-2
run definition file 2-6 Aspen Plus user interface 5-6
system modifications 3-3 Help source files A-4
table building system, running 3-12, 5-5
units rows available B-9
user modifications 3-2 D
utilities 2-9
Assigning map numbers A-6 Databanks
adding binary 4-10
System Management 1
Version 11.1
adding Help for 4-7 I
adding in-house 4-1
adding pair parameter 4-10 In-house databanks
adding user 4-1 adding 4-1
creating 4-2 In-house models and subroutines
installing 4-8 integrating 3-8
physical property, configuring 4-1 Initialization files 1-4
rebuilding 1-2 Inlet pipe valves 6-14
running MMTBS to add 4-7 Inline Fortran 3-4
Debugging converting 1-8
Aspen Plus 3-5 Input file
user routines on Windows 3-5 binary databanks, creating 4-10
header templates 4-14
E ionic reactions database, creating 4-18
pair parameter databanks, creating 4-10
Electrolyte reaction database Installing
adding ionic reactions 4-17 databanks 4-8
Emergency relief vents 6-12 Help files A-11
RECDEF files A-11
system definition files 5-5
F Ionic reactions
adding to electrolyte reaction database 4-17
Files creating input file 4-18
MMTBS customization A-2
simulation run 2-5
Format L
prompts A-8
Fortran Liquid service safety relief valves 6-2
converting subroutines 1-8 Load modules 1-4
inline, debugging 3-5
modifying source code 3-9 M
G Maintaining and updating Aspen Plus 3-1
Maintaining upward compatibility 1-4
Gas/2-phase service safety relief valves 6-5 Major property route table B-23
parameters B-24
Map numbers
H assigning to Help topics A-6
MMTBS
Help driver files customization files A-2
modifying A-9 running 4-7, 4-16, 4-20
Help files MMTBS driver file
adding for databanks 4-7 modifying 4-7, 4-16, 4-19, A-9
adding for models, routes, property methods 5-12 Models
creating A-3 adding to simulation engine 5-7
customizing A-4 adding to user interface 5-11
modifying Aspen Plus A-8 Modifying
Help source files Aspen Plus 3-2
compiling A-7 Aspen Plus Help files A-8
modifying A-4 Help driver files A-9
Help source files A-4
2 System Management
Version 11.1
in-house files 3-3 Routes
MMTBS driver files 4-7, 4-16, 4-19, A-9 adding to simulation engine 5-7
system files 3-3 adding to user interface 5-11
user files 3-2 Routines
user 3-4
Running
N accounting program 7-4
MMTBS 4-7, 4-16, 4-20
NRTL binary parameters 4-15
Rupture disks 6-8
P S
Pair parameter databanks
Scalar parameters 4-16
adding 4-10
SDF files
creating input files 4-10
creating custom 3-9
Physical property databanks
Simulation engine
configuring 4-1
adding models, routes, property methods 5-7
Physical property method table B-29
command line qualifiers 2-9
parameters B-29
processes for running 2-2
Physical property methods
system files 2-4
configuring 5-1
Simulation run files 2-5
Physical property models, routes, methods
Standard physical property method table B-29
creating 5-6
Subordinate property route table B-25
Physical property subroutine list table B-17
parameters B-26
Pipes
System configuration 2-1
pressure relief 6-10
System definition files 1-3, 3-13
valves 6-14
installing 5-5
Pressure relief
running report system 3-10
configuring equipment data 6-1
updating 3-15
pipes 6-10
System files
rupture disks 6-8
simulation engine 2-4
Prompts
user interface 2-4
adding for models, routes, property methods 5-12
System overview 2-1
format A-8
System shared libraries
Property methods
building 3-7
adding to simulation engine 5-7
Windows 3-7
adding to user interface 5-11
example of file NRTL.STO B-30
Property model definition table B-2 T
Property parameter definition table B-6
parameters B-7 Table building system
Property route tables converting files 3-17
major B-23, B-27 customization files 5-3, B-1
subordinate B-25, B-28 file descriptions B-1
file types 3-15
files, creating from customization files 5-4, B-1
R program 3-14
running 3-12, 5-5
Relief valves
system definition files 3-13
gas/2-phase service safety 6-5
updating system definition files 3-15
Reports
Table-of-contents file for Help
accounting 7-1
building A-9
System Management 3
Version 11.1
Tail pipe valves 6-14
Templates for input file headers 4-14
Testing changes in user interface 4-16
U
Units conversion
flags B-10
formulas B-10
Upgrading Aspen Plus 1-1
Upgrading user interface files 1-2
Upward compatibility
maintaining 1-4
User databanks
adding 4-1
User interface
adding models, routes, property methods 5-11
creating databank files 4-4
customizing A-1
running customization system A-10
system files 2-4
testing changes in 4-16
upgrading 1-2
User routines
compiling 3-4
converting 3-9
debugging on Windows 3-5
maintaining 3-4
User-based accounting report 7-2
V
Valves
liquid service safety relief 6-2
Vents
emergency relief 6-12
W
Wilson binary parameters 4-15
4 System Management
Version 11.1