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System Management

Version 11.1

Part Number: Aspen Plus 11.1


September 2001
Copyright (c) 1981-2001 by Aspen Technology, Inc. All rights reserved.
Aspen Plus, Aspen Properties, Aspen Engineering Suite, AspenTech, ModelManager, the aspen leaf logo and Plantelligence
are trademarks or registered trademarks of Aspen Technology, Inc., Cambridge, MA.
BATCHFRAC and RATEFRAC are trademarks of Koch Engineering Company, Inc.
All other brand and product names are trademarks or registered trademarks of their respective companies.
This manual is intended as a guide to using AspenTech's software. This documentation contains AspenTech proprietary and
confidential information and may not be disclosed, used, or copied without the prior consent of AspenTech or as set forth in the
applicable license agreement. Users are solely responsible for the proper use of the software and the application of the results
obtained.
Although AspenTech has tested the software and reviewed the documentation, the sole warranty for the software may be found in
the applicable license agreement between AspenTech and the user. ASPENTECH MAKES NO WARRANTY OR
REPRESENTATION, EITHER EXPRESSED OR IMPLIED, WITH RESPECT TO THIS DOCUMENTATION, ITS
QUALITY, PERFORMANCE, MERCHANTABILITY, OR FITNESS FOR A PARTICULAR PURPOSE.

Corporate
Aspen Technology, Inc.
Ten Canal Park
Cambridge, MA 02141-2201
USA
Phone: (1) (617) 949-1021
Toll Free: (1) (888) 996-7001
Fax: (1) (617) 949-1724
URL: http://www.aspentech.com

Division
Design, Simulation and Optimization Systems
Aspen Technology, Inc.
Ten Canal Park
Cambridge, MA 02141-2201
USA
Phone: (617) 949-1000
Fax:(617) 949-1030

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
1

Upgrading Aspen Plus


Compatibility Issues ..................................................................................................... 1-2
Converting Fortran Subroutines and Inline Fortran ................................................. 1-8

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

Maintaining and Updating Aspen Plus


Modification Levels in Aspen Plus ............................................................................... 3-2
Maintaining User Routines .......................................................................................... 3-4
Building System Shared Libraries............................................................................... 3-7
Integrating In-House Models and Subroutines........................................................... 3-8
Running a System Definition File Report ................................................................. 3-10
Running the Aspen Plus Table Building System ....................................................... 3-12
Converting Version 9.x TBS Input Files.................................................................... 3-17

Configuring Physical Property Databanks


Adding User and In-House Databanks........................................................................ 4-1
Adding Binary or Pair Parameter Databanks .......................................................... 4-10
Adding Ionic Reactions to the Electrolyte Reaction Database ................................. 4-17

Configuring Physical Property Methods


Overview ........................................................................................................................ 5-2
Customizing the Aspen Plus Simulation Engine ........................................................ 5-2

System Management
Version 11.1

iii

Customizing the Aspen Plus User Interface................................................................5-6


Creating In-House Physical Property Models, Routes, and Methods ........................5-6
6

Configuring Pressure Relief, Pipe, and Valve Equipment Data


Overview ........................................................................................................................6-1
Liquid Service Safety Relief Valves for Pressure Relief .............................................6-2
Gas/2-Phase Service Safety Relief Valves for Pressure Relief ...................................6-5
Rupture Disks for Pressure Relief................................................................................6-8
Pipes for Pressure Relief and the Pipe Model ...........................................................6-10
Emergency Relief Vents for Pressure Relief..............................................................6-12
Inlet and Tail Pipe Valves for Pressure Relief ..........................................................6-14
Valves for the Valve Model .........................................................................................6-16

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

Customizing the Aspen Plus User Interface


MMTBS Customization Files ...................................................................................... A-2
Creating Help ............................................................................................................... A-3
Modifying the MMTBS and Help Driver Files ........................................................... A-9
Running the User Interface Customization System ................................................ A-10
Installing the New Files............................................................................................. A-11

TBS File Descriptions


Conventional Property Model Definition Table.......................................................... B-2
Property Parameter Definition Table ......................................................................... B-6
Physical Property Subroutine List Table ................................................................... B-17
Modifying Aspen Plus System Routines ................................................................... B-17
Major and Subordinate Property Route Tables........................................................ B-23
Physical Property Method Table ............................................................................... B-29

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
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

Contacting Customer Support


Customer support is also available by phone, fax, and email for customers with a
current support contract for this product. For the most up-to-date phone listings,
please see the Online Technical Support Center at
http://support.aspentech.com.

System Management
Version 11.1

vii

Hours
Support Centers

Operating Hours

North America
South America
Europe
Asia and Pacific Region

8:00 20:00 Eastern Time


9:00 17:00 Local time
8:30 18:00 Central European time
9:00 17:30 Local time

Phone
Support
Centers

Phone Numbers

North
America

1-888-996-7100
1-281-584-4357
(52) (5) 536-2809

Toll-free from U.S., Canada, Mexico


North America Support Center
Mexico Support Center

South
America

(54) (11) 4361-7220


(55) (11) 5012-0321
(0800) 333-0125
(000) (814) 550-4084
8001-2410

Argentina Support Center


Brazil Support Center
Toll-free to U.S. from Argentina
Toll-free to U.S. from Brazil
Toll-free to U.S. from Venezuela

Europe

(32) (2) 701-95-55

European Support Center

Country-specific toll-free numbers:


(0800) 40-687
Belgium
8088-3652
Denmark
(0) (800) 1-19127
Finland
(0805) 11-0054
France
(1) (800) 930-024
Ireland
(0800) 023-2511
Netherlands
(800) 13817
Norway
(900) 951846
Spain
(0200) 895-284
Sweden
(0800) 111-470
Switzerland
(0800) 376-7903
UK
Asia and
Pacific
Region

viii

(65) 395-39-00
(81) (3) 3262-1743

Singapore
Tokyo

System Management
Version 11.1

Fax
Support Centers

Fax Numbers

North America

1-617-949-1724 (Cambridge, MA)


1-281-584-1807 (Houston, TX: both Engineering and
Manufacturing Suite)
1-281-584-5442 (Houston, TX: eSupply Chain Suite)
1-281-584-4329 (Houston, TX: Advanced Control Suite)
1-301-424-4647 (Rockville, MD)
1-908-516-9550 (New Providence, NJ)
1-425-492-2388 (Seattle, WA)

South America

(54) (11) 4361-7220 (Argentina)


(55) (11) 5012-4442 (Brazil)

Europe

(32) (2) 701-94-45

Asia and Pacific


Region

(65) 395-39-50 (Singapore)


(81) (3) 3262-1744 (Tokyo)

Support Centers

E-mail

North America

support@aspentech.com (Engineering Suite)


atmdsupport@aspentech.com (Aspen ICARUS products)
mimi.support@aspentech.com (Aspen MIMI products)
pims.support@aspentech.com (Aspen PIMS products)
aspenretail.support@aspentech.com (Aspen Retail products)
acs.support@aspentech.com (Advanced Control products)
AMS.Support@aspentech.com (Manufacturing Suite)
Gabriela.Torres@aspentech.com (Mexico)

South America

info@tecnosolution.com.ar (Argentina)
tecnosp@aspentech.com (Brazil)

Europe

atesupport@aspentech.com (Engineering Suite)


AMS.Support@aspentech.com (All other suites)
cimview@aspentech.com (CIMVIEW products)

Asia and Pacific


Region

atasupport@aspentech.com (Singapore: Engineering Suite)


SG_Support@aspentech.com (Singapore: All other suites)
atjsupport@aspentech.com (Tokyo: Engineering Suite)
TK_Support@aspentech.com (Tokyo: All other suites)

E-mail

System Management
Version 11.1

ix

System Management
Version 11.1

Chapter 1

Upgrading Aspen Plus


Aspen Plus is a process flowsheet simulation program that engineers use to
predict the real-world performance of chemical processes. This manual is for
Aspen Plus system administrators. It explains how to customize and maintain
Aspen Plus. You do not need to be a chemical engineer or understand process
flowsheet simulation to perform these tasks.
Topics included in this chapter are:
Compatibility Issues
Converting Fortran Subroutines and Inline Fortran from Version 9

System Management
Version 11.1

1-1

Upgrading
Aspen Plus

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.

Upgrading User Interface Files


Before upgrading the user interface, you must create Aspen Plus backup files of
any runs that are stored in Quick Restart format (Version 9.x) or Aspen Plus
Document format (Version 10.x). The following table shows which files are
upwardly compatible with the new version:
Files

Extensions

Upwardly Compatible?

Aspen Plus Backup

.bkp

Yes

Aspen Plus Document

.apw

No

Quick Restart

.iwd and .iwb (Release 9)

No

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.

1-2

System Management
Version 11.1

Chapter 1

System Definition Files


The SDFs from any previous release are not compatible with Version 11.1. If
your current SDFs contain any customized features, you must reapply them to
the SDFs installed with Version 11.1, using the original Table Building System
(TBS) files. Some physical property TBS files have a different format from those
in Version 9.x.
For more information on

See

The new format for physical property tables

Chapter 5

Instructions on running TBS to rebuild the SDF for non-property-related tables

Chapter 3

Problem Definition Files


The problem definition file (APPDF) from any previous release is not compatible
with Version 11.1. You must rebuild any existing APPDFs by deleting the old
ones and re-running the simulation model from an input or backup file.
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)

System Management
Version 11.1

1-3

Upgrading
Aspen Plus

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.

Maintaining Upward Compatibility


Some of the new features in Version 11.1 may cause your run results to differ
from results of previous releases. When opening or importing Aspen Plus Backup
(.bkp) files from a previous release, you may ignore the new features by selecting
the option Maintain Complete Upward Compatibility in the Upward
Compatibility dialog box.
If you want to use the new features in this release, select the Use the Following
New Features option from the dialog box.

User Interface Initialization Files


User interface initialization (mm.ini and mmg.ini) files from Version 9.x are not
compatible with Version 11.1. Check whether any .ini files from previous releases
are in your working directory. If there are any, rename them before you start
Aspen Plus 11.1.
In Version 10, the mm.ini file contains only communication settings for running
Aspen Plus in a client-host environment. The file mmg.ini specifies other default
settings for the user interface. You can modify the settings in mmg.ini directly
within the user interface, using the Tools Options dialog box.
The mmg.ini settings are stored in the current user's Windows registry the first
time the Aspen Plus user interface is opened. Any changes made to mmg.ini after
the user interface has been opened will not be used.

1-4

System Management
Version 11.1

Chapter 1

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


Data

Pure component databanks searched

purebank

Tools, Options, Component


Data

Binary databanks searched

paramdata

Tools, Options, Component


Data

Copy regression and estimation results onto Parameter forms

regdbank

Tools, Options, Component


Data

Generate input language using

component

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

System Management
Version 11.1

1-5

Upgrading
Aspen Plus

Table 1.1

mmg.ini Settings You Can Change Within the User Interface (cont.)
Menu Selections

Option

Setting

Tools, Options, Run

Server type

servertype

Tools, Options, Run

Server name

servername

Tools, Options, Run

Username

username

Tools, Options, Run

Working directory

workingdir

Tools, Options, Startup

Run type

runtype

Tools, Options, Startup

Application template

template

Tools, Options, Startup

Default working directory

startupdir

Tools, Options, Startup

BatchFrac

bfracenabled

Tools, Options, Startup

RateFrac

rtfenabled

Tools, Options, Startup

Aspen Dynamics

dynaplusenabled

Tools, Options, Startup

POLYMERS PLUS

polyplusenabled

Tools, Options, Startup

Text editor

editor

Tools, Options, Startup

Print text file command

printcommand

Tools, Options, Flowsheet

Automatically assign block name with prefix

autoblockid, blockprefix

Tools, Options, Flowsheet

Display block name

showblockid

Tools, Options, Flowsheet

Automatically assign stream name with prefix

autostreamid, streamprefix

Tools, Options, Flowsheet

Display stream name

showstreamid

Tools, Options, Flowsheet

Automatically place blocks when importing

autoplacement

Tools, Options, Flowsheet

Lock block spacing factor at

lockblock, placement

Tools, Options, Flowsheet

Label size scale factor

labelscale

Tools, Options, Grid/Scale

Show scale

scale

Tools, Options, Grid/Scale

Show grid

grid

Tools, Options, Grid/Scale

Snap to grid

grid

Tools, Options, Grid/Scale

Grid size

gridresolution

Tools, Options, Grid/Scale

Zoom scale factor

zoomfactor

Tools, Options, Grid/Scale

Scroll step size (%)

scrollstep

Tools, Options, Plots

Title

plottitlefont

Tools, Options, Plots

Axis label

plotlabelfont

Tools, Options, Plots

Axis scale

plotscalefont

This item cannot be set in the mmg.ini file.

continued

1-6

System Management
Version 11.1

Chapter 1

Table 1.1

mmg.ini Settings You Can Change Within the User Interface (cont.)
Menu Selections

Option

Setting

Tools, Options, Plots

Annotation

plottextfont

Tools, Options, Plots

Legend

plotlegendfont

Tools, Options, Plots

Grid style

gridstyle

Tools, Options, Plots

Line style

linestyle

Tools, Options, Plots

Marker size

plotmarkersize

Tools, Options, Plots

Show legend

showlegend

Tools, Options, Plots

Show time stamp

plottimestamp

File, Page Setup

Size

papersize

File, Page Setup

Source

papersource

File, Page Setup

Orientation

orientation

File, Page Setup

Left margin

marginleft

File, Page Setup

Right margin

marginright

File, Page Setup

Top margin

margintop

File, Page Setup

Bottom margin

marginbottom

View menu

Model library

modellibraryview

View menu

Status bar

statusbarview

View, Toolbar

Standard

toolstdvisible

View, Toolbar

Data Browser

tooldatavisible

View, Toolbar

Simulation Run

toolrunvisible

View, Toolbar

Process Flowsheet

toolpfsvisible

View, Toolbar

Draw

tooldrawvisible

View, Toolbar

Dynamic

tooldynvisible

View, Toolbar

Section

toolsectionsvisible

Window menu

Normal, Workbook, Flowsheet as Wallpaper

worksheetmode,
wallpaperview

Draw toolbar

Color

drawcolor

Draw toolbar

Line style

drawlinestyle

Draw toolbar

Font

drawfont

System Management
Version 11.1

This item cannot be set in the mmg.ini file.


The value for these settings depends on the Measurement System specified on your Regional Settings property page in the
Windows Control Panel. If your Measurement System is U.S., specify the values in inches. If your Measurement System is
Metric, specify the value in millimeters.

1-7

Upgrading
Aspen Plus

Converting Fortran Subroutines and


Inline Fortran
If you are upgrading from Aspen Plus Version 9.x to Version 10, you may need to
modify your Fortran subroutines and inline Fortran. If you have already modified
your Fortran to the Version 10 standard, there is no further modification needed.
If your Fortran code accesses any Aspen Plus labeled COMMONs (such as
NCOMP or USER) or calls any Aspen Plus subroutines (such as FLASH or
physical property monitors), then you must modify it.
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.

Aspen Plus COMMONs Renamed


All variables in Aspen Plus COMMONs have been renamed. The name of the
COMMON is prepended to the variable name. For example, if you use RMISS
from COMMON GLOBAL, the new variable name is GLOBAL_RMISS. This
reduces the chance of having a local variable with the same name as a variable in
an Aspen Plus COMMON block. It also makes it easier to determine whether a
variable is a local variable or COMMON variable when reading through the code.
You must convert to the new format any Aspen Plus input file that contains
inline Fortran and refers to Aspen Plus COMMONs or Aspen Plus routines.

1-8

System Management
Version 11.1

Chapter 1

Aspen Plus Routines Renamed


All Aspen Plus routines have been renamed to include an identifier that indicates
its parent shared or DLL modules. This identifier is prepended to the old
subroutine name. For example, if you are calling FLASH within a user
subroutine, the new name will be FLSH_FLASH. (FLASH belongs to the module
called PPFLASH, which has an identifier of FLSH.) This change reduces the
chance that your routines have name conflicts with Aspen Plus routines. It will
also make maintenance and support easier. You must modify any user
subroutines that call Aspen Plus routines.

System Management
Version 11.1

1-9

Upgrading
Aspen Plus

1-10

System Management
Version 11.1

Chapter 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

System Management
Version 11.1

2-1

System
Overview

Functional Overview of Aspen Plus


The Aspen Plus user interface can run on Intel Pentium processors running
either Windows NT 4.0, Windows 95, or Windows 98. The Aspen Plus simulation
engine performs all the required calculations. The simulation engine can run on
the same host as the user interface or on a remote host on the network.
Table 2.1 shows the various platform requirements for Aspen Plus.

Table 2.1

Platform Requirements
Operating System
Platform

Name

Version

Intel (2) Pentium

Windows 95

SP1 (3)

Intel (2) Pentium

Windows 98

SE (3)

Intel

(2)

Pentium

Windows NT

Disk Space Requirements (MB)

4.0 with SP5

Fortran Compiler

(3)

Simulation
Engine (1)

User Interface

Digital Visual Fortran 6.0B

110

220

Digital Visual Fortran 6.0B

110

220

Digital Visual Fortran 6.0B

110

220

(1)

Note the following:


1. Disk space requirements vary, depending on the components selected during
installation. An additional 50 MB of space is required on the Windows system
drive for system components.
2. Pentium refers to all Intel Pentium chips including Pentium Pro, Pentium II,
Pentium III, Pentium, and Pentium MMX. Aspen Plus has not been tested for
and is not supported on non-Intel Pentium PC platforms such as Cyrix or
AMD chips.
3. The Windows 95 and 98 patches required are ones which make these systems
Y2K-ready. Windows NT 4.0 with SP4 may also be used, provided the Y2K
Patch and Hot Fixes for MDAC update and memory leak have been applied.

Processes for Running the Simulation Engine


Aspen Plus provides users with several methods to perform simulation
calculations. Different users will have their own preferences in how they use
Aspen Plus.

2-2

System Management
Version 11.1

Chapter 2

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.

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User Interface System Files


While the engineer is specifying the problem, the Aspen Plus user interface uses
the following files:
File

Description

Format

recdef.apr

Data structure definition files, including physical property databanks and expert
system rules

Binary

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

Simulation Engine System Files


During execution, the simulation engine uses binary files to retrieve information
for calculations. The file types are:

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File Type

Description

.dat

System and user physical property databanks, cost databanks

.sdf

System Definition File (Aspen Plus Language Definition File)

.ilb

System and user insert libraries

.slb

System stream library

.msf

Aspen Plus accounting file

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Chapter 2

Files Associated with a Simulation Run


When you run a simulation from the user interface, the RunID is a random name
composed of an underscore ( _ ) followed by four digits and three characters (for
example, _1234abc). Many temporary files with this name are created during
execution, and deleted when you exit Aspen Plus.
When you save a simulation run in Aspen Plus Document format, the following
files are saved:
File Type

Name

Description

Format

Client/Server

.his

History

Calculation history

ASCII

Server

.apw

User interface
document

All data for the user interface problem


specification

Binary

Client

.appdf

Problem data

All data for the problem simulation

Binary

Server

.for

Fortran

Generated Fortran routines for non-interpretable


inline Fortran

ASCII

Server

You can export the following types of ASCII files from the File Export menu of
the user interface:

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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

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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 Aspen Plus Run Definition File


Each Aspen Plus run creates a run definition (.def) file containing file
specifications for the run. The engineer can also specify a user run definition file
to:
Override system default files
Set up default command options
The user run definition file is particularly useful when several user or in-house
files are used for a project.

For

The syntax is

File specifications

symbol: filespec

Command options

symbol:

Where symbol is a symbol listed in Table 2.2

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.

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Table 2.2 lists valid symbols and specifications for the default file.

Table 2.2

Valid Symbols for Run Definition File


Symbol

Description

Default File

INPUT

Input file

none

RUNID

Identifier for the simulation run

none

PDF

Problem datafile

runid.appdf

PP1A

USRPP1A databank

none

PP1B

USRPP1B databank

none

PP2A

USRPP2A databank

none

PP2B

USRPP2B databank

none

PP2C

USRPP2C databank

none

XILB

System insert library

sys.ilb

XULB

User insert library

user.ilb

XSLB

System stream library

sys.slb

XSCD

System cost databank

aspcost.dat

UCOS

User cost databank

none

IPCD

In-house pure component databank

inhspcd.dat

ISOL

In-house solids databank

inhssol.dat

IAQU

In-house aqueous databank

inhsaqu.dat

IBIN

In-house binary databank

inhsbin.dat

XCOM

System combustion databank

combust.dat

XDPR

System pure component databank-II

pure10.dat

XPCD

System pure component databank

aspenpcd.dat

XFLO

System flowtran databank

flowtran.dat

XSOL

System solids databank

solids.dat

XAQU

System aqueous databank

aqueous.dat

XBIN

System binary databank

binary.dat

XBAR

Inorganic (Barin) databank

inorgani.dat

XMRL

CSIRO MRL databank

cpdmrl.dat

XNPL

CSIRO NPD databank

cpdnpl.dat
continued

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Table 2.2

Valid Symbols for Run Definition File (continued)


Symbol

Description

Default File

XNBS

CSIRO NBS databank

cpdnbs.dat

XJAN

JANAF combustion databank

cpdjan.dat

XSGT

CSIRO SGT databank

cpdsgt.dat

XPC85

Release 8.5-6 compatible pure component databank

pure856.dat

XPC93

Release 9.3 version of purecomp.dat

pure93.dat

XAQ92

Release 9.2 version of aqueous.dat

aqu92.dat

XFACT

F*A*C*T databank

factpcd.dat

XPOPCD

System polymers databank

polymer.dat

XSEPCD

System segments databank

segment.dat

XSDF

System definition file

sdffil.sdf

SCRIPT

Script file for ASCII interactive run

iap.scp

XDEF

User specified defaults file

none

XMOD

Location of executable used for simulation

none

XPDFLC

Location of problem datafile

none

USERNAME

Username

none

NEW_RUNID

New Run_ID specified for Edit run

none

OLD_RUNID

Old Run_ID being edited

none

LMHOST

Name of License Manager host

none

IAPFLAG

Interactive flag

none

MMBACKUP

Input/restore flag generate backup file

N/A

ITONLY

Perform input processing only

N/A

BATCH

Job is run batch or in background

N/A

TUTOR

Use interactive tutorial mode

N/A

SLAVE

Job runs under the user interface control

N/A

DLOPT

Dynamic link options

none

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Local working directory

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Chapter 2

Aspen Plus Utilities


Table 2.3 lists the utility programs used to build and maintain files used by the
user interface and the simulation engine. For Windows versions of Aspen Plus,
these commands can only be executed from the Aspen Plus Simulation Engine
window.

Table 2.3

Utility Programs
Utility

Description

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.

Simulation Engine Command Line


Qualifiers
The Aspen command invokes the Aspen Plus Simulation Engine from the
command line. The available command line qualifiers are:
aspen input_file [RunID] [NewRunid] [opts] [/help]

For Windows versions of Aspen Plus, the Aspen command must be run from the
Aspen Plus Simulation Engine window.

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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.

Note

For compatibility with standard UNIX conventions, options may


be introduced with a hyphen () instead of a slash (/). Options
that take an argument may omit an equal sign (=). For example,
the following are equivalent:

/insert=abc
-insert abc

Command Line Qualifier Definitions


The following list provides definitions of Aspen Plus command line qualifiers that
you type.
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.

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/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.

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Chapter 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

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Modification Levels in Aspen Plus


In Aspen Plus, you can make modifications at three levels:
Modify at this level

For changes that


A single user or small group of users needs

User

In-house

Must be available to all users

System

Affect the files delivered with Aspen Plus

Does not affect the files delivered with Aspen Plus.

We recommend that one person be responsible for modifying Aspen Plus at a


given site. This provides Aspen Technology with a central contact person to
determine the system's status at a given moment. We encourage companies with
multiple Aspen Plus sites to establish a corporate Aspen Plus manager to
coordinate and communicate the activities of the site managers.
All types of modifications can affect new release upgrades. For example, certain
system design changes included in a new release might prevent user or in-house
modifications from working without change.
User and in-house features are generally upwardly compatible with new releases.
Problems may occur if the user or in-house features use non-standard or
undocumented features such as:
Using a Fortran unit number below 50
Calling an undocumented Aspen Plus system routine
For information on creating and using user and in-house databanks, see Adding
User and In-House Databanks, Chapter 4 and Aspen Plus Physical Property
Data.

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

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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.

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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.

Maintaining User Routines


Aspen Plus allows user-written routines to be dynamically loaded and executed.
User routines include:
Externally written Fortran subroutines
Inline Fortran blocks that are too complicated for the simulation engine's
internal Fortran interpreter to interpret
Aspen Plus writes non-interpretable inline Fortran to a file as Fortran source
code. The source code is compiled using the host computer's native Fortran
compiler.
During the run, user routines are dynamically linked and loaded into the
simulation engine. Aspen Plus does not need to generate a special simulation
program to handle user routines.
The user must supply all required object files for external Fortran subroutines
before beginning the run. To maintain consistent compiler options and to process
INCLUDE statements, you must use the Aspcomp procedure to compile all user
routines.

Compiling User Routines


Use the Aspcomp procedure to compile user Fortran routines:
Command

Windows

ASPCOMP *.f dbg

3-4

Operating System

The parameter dbg is optional. Use it if you plan to debug these routines.

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Chapter 3

Overview of Debugging in Aspen Plus


Fortran code added by a user to a simulation model can be debugged using your
Fortran compiler's symbolic debugger. Your debugger can be invoked for the
following categories of Fortran routines:
Inline Fortran
User models
In-house models

Debugging Inline Fortran


You can debug the Fortran source routine generated from non-interpretable
inline Fortran blocks. For example, to cause the generated Fortran routine to be
compiled with the debug option and write additional diagnostics concerning the
dynamic link to the RunID.ld file, add these lines to your input file:
DIAGNOSTIC
HISTORY SYSLEVEL=8
DEBUG DYNLINK=2

Note

For Windows platforms, adding the diagnostics history line is


mandatory for debugging.

Debugging User Routines on Windows


To debug user routines on Windows platforms, perform these steps:
1. From the Aspen Plus program group, open the Aspen Plus Simulation Engine
window.
2. Compile user routine(s) using the dbg option. Type:
ASPCOMP filename dbg

This creates an object file (filename.obj) and a database of debugging symbols


(df60.db).
3. Debug link the shared library containing your user routines by increasing the
system diagnostics level reporting. Add the following to your simulation input
file:
DIAGNOSTICS
HISTORY SYS-LEVEL=8
DEBUG DYNLINK=2

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

5. Invoke Microsoft Developer Studio and configure a workspace as explained in


the next example.

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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.

Example of a Windows Debugging Session


After invoking Microsoft Developer Studio, you must set up a workspace for debugging. In
Microsoft Developer Studio:

1. From the File menu, select Open.


2. In the Open File dialog box, navigate to the directory where the Aspen Plus
Simulation Engine is installed. Select apmain.exe and click OK.
3. From the Project menu, select Settings (Alt+F7), and then select the Debug
tab in the right pane.
4. Set the working directory to the full path for the directory where you ran the
Aspen gmutest test command in step 4 above. If you are using the Aspen Plus
default directory, type:
c:\Program Files\AspenTech\Working Folders\Aspen Plus 11.1

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).
Note

Microsoft Developer Studio may terminate abnormally if you try


to set a breakpoint in your user routine by selecting Breakpoints
from the Edit menu at Step 12.

See the Microsoft Developer Studio online help for more information on using the
debugger.

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Debugging User Routines Without a Symbolic Debugger


If you do not have a symbolic debugger, use this debugging method:
1. Add Fortran Write statements to your user routine at strategic locations.
2. Compile the routine using the Aspcomp procedure.
3. Rerun the simulation and check the output file for diagnostic information.

Building System Shared Libraries


The simulation engine contains a custom directory that contains all the modules
and corresponding Fortran files that can be customized for Version 10. The
modules are ppuser, zeinit, zemhtxu, and zeusermod.

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

Table 3.1

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.

Module Routines
Module

Routines

ppuser

esmnu.f, esmnu0.f, kvlui.f, mdmon9.f, phcciu.f, phclcu.f

zeinit

getprp.f, iappdb.f

zemhtxu

euhe3u.f, iuhe3u.f, mhfopu.f, uhe03u.f, zuhe3u.f

zeusermod

adcstu.f, adefnu.f, asradu.f, asrptu.f, blrusr.f, cstusr.f, eevalu.f, exmonu.f, fisymu.f, fpuser.f,
getadu.f, iapusr.f, imhtxu.f, insimu.f, itsizu.f, itsubu.f, mhtcku.f, mhtwku.f, mmsrpu.f, mmsusr.f,
npldsu.f, pdatfu.f, ppchku.f, rptusr.f, savusr.f, sempru.f, srpctu.f, sumusr.f, uvalab.f

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:

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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
APrSystem, including your modifications and additions

aspcomp *.f ppuser

Objects with debug information

aspcomp *.f dbg ppuser

3. Type the following command to create the shared library with Asplink:
asplink ppuser

A Windows 32-bit shared library pair (ppuser.dll and ppuser.lib) is created in


the local directory.
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).

Integrating In-House Models and


Subroutines
If you have in-house models and subroutines that were developed for previous
Aspen Plus versions, perform these steps to integrate them into Version 11.1:
1. If you are integrating in-house Table Building System (TBS) files, create a
custom System Definition File (SDF) file.
2. If you are upgrading from Version 9.x, convert in-house Fortran routines to
the Version 10 standard. See Chapter 1. This is required for any routine
accessing Aspen Plus system COMMONS or calling Aspen Plus routines.
3. Modify Version 11.1 system routines to call your proprietary routines.
4. Test and debug proprietary unit operation and property models.
The sections following explain each of these steps in detail.

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Chapter 3

Creating a Custom SDF File


To create a custom SDF file for your in-house unit operation or property models:
1. If you are upgrading from Version 9.x, modify the TBS input file(s).
For these models

See

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.

Converting Fortran Routines


Because of architectural changes, you might need to modify the Fortran source
code of routines used in Aspen Plus if you are upgrading from Version 9.x. To
convert your routines to the Version 10 standard, see Chapter 1, Converting
Fortran Subroutines and Inline Fortran. To obtain Aspen Plus source code
required to interface your in-house modifications, contact the AspenTech Hotline.

Modifying Version 11.1 Routines to Call Proprietary


Routines
If you want the Aspen Plus simulation engine to call your proprietary routines,
you must obtain the source code for the appropriate Version 11.1 simulation
engine interface routines. Modify the code to call your routines.

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Running a System Definition File Report


You can use the Aspen Plus SDF Report System (SDFRPT) to produce formatted
reports that show the information stored in SDF tables.
To run SDFRPT:
1. Use the command:
sdfrpt

sdfname

outname

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.
2.
3.
4.
5.

PRS
PRS
PRS
PRS
PRS

PIPE TABLE
TRANSFLO VALVE TABLE
EMERGENCY RELIEF VENT TABLE
RUPTURE DISK TABLE
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.
2.
3.
4.

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DATA FILE SYMBOL TABLE


PITZER MODEL DATA
ELECTROLYTE NRTL MODEL DATA
COAL PROPERTY DATABANK

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Chapter 3

Two special table names appear on the list:


FULL
THE CONSTANTS TABLE
FULL produces the entire SDF contents. A full SDF report is more than 1500
pages long. TBS generates the constants table when the SDF is built. The
CONSTANTS table can be reported, but the user cannot modify it. It lists:
SDF size information
Default constants used in the SDF
If you enter one of the following names, additional prompts appear:
COST BLOCK
PKW (Primary Keyword Tables)
UOSM (Unit Operation System Model)
UTILITY
REACTIONS
For example, if you enter UOSM, the following prompt appears:
Enter <CR> to get a list or enter the name of the UOS model.

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

Yes

The initial prompt appears.

No

The SDFRPT program is terminated.

SDFRPT generates a report file using the name you supplied. This report is
divided into two sections:
Table of contents
Formatted SDF tables

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The following list contains the valid top level tables for SDFRPT:
Standard Option Sets
Component Attribute Type Definitions
Encoded Major Property Routes
Conventional Property Model Defs
Labeled Common Definitions
Physical Property Subroutine List
Major Property Map
Default Monitor CGT Indices
PKW
Cost Block
Substream Type Table
Stream Attr Type Table
Built-in Substream ID Table
Built-in Substream Attribute Table
The Constants Table
Non-conven Top-level Tkw Tables
Variable Type Table
Econ Eval SKW Index
Distillation Curve Types
PC Properties
Property Package Properties
Property Groups
Group Binary Parameter Table
Pitzer Model Data
Equation of State Binary Parameter Table
Electrolyte NRTL Model Data
PCES Property Definition Table
Old Group Liquid Binary Parameter Table
Periodic Table
PP User Subroutine List
PRS Transflo Valve Table
PRS Rupture Disk Table

Standard Major Property Routes


Subordinate Property Keyword List
Encoded Subordinate Property Routes
Non-conventional Property Model Defs
Data File Symbol Table
Labeled Common List
Subordinate Property Map
UOSM
Utility
Units Conversion Table
Substream Attr Type Table
Built-in Substream Class Table
Built-in Stream Class Table
Built-in Stream Attribute Table
Conven Top-level TKW Tables
Flowtran Block Table
Convergence Table Special SKW Table
Full
Default PC Cut Point Temperatures
PC Option Sets
Property Package Substream Types
Group Parameter Table
Symbol
Group Liquid Binary Parameter Table
Equation of State Pure Parameter Table
PCES Group Structure Definition Table
Old Group Binary Parameter Table
Coal Property Databank
Reactions
PRS Pipe Table
PRS Emergency Relief Vent Table
PRS Safety Relief Valve Table

Running the Aspen Plus Table Building


System
The Aspen Plus Table Building System (TBS) creates and maintains the System
Definition File (SDF). The SDF contains:
A complete definition of Aspen Plus input language syntax
Other information necessary to define Aspen Plus system capabilities

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Chapter 3

The System Definition File


The SDF is located in:
Operating System

Directory

Windows

C:\Program Files\AspenTech\Aspen Plus 11.1\Engine\XEQ\SDFFIL.SDF

If you installed Aspen Plus on a different disk drive or directory, use the appropriate path.

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.

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Aspen Plus

The TBS Program


The TBS program:
Creates the SDF
Reads user-specified data from a file stored on disk
Places the data in the appropriate place within the SDF
Creates a history file to store information for new or modified tables
Modifies the SDF when requested
Aspen Technology provides source data for TBS tables.
The TBS tables are stored in a compressed file format. To decompress the source
data, use the extr_tbs command from the Aspen Physical Property System
utilities directory:
Operating System

Command to extract TBS files

Windows

C:\Program Files\AspenTech\APrSystem 11.1\Engine\xeq\extr_tbs.bat

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

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Chapter 3

File Types
The file type indicates the type of data in the file, as described in the table below:

Table 3.2

File Types
File Type

Table Data Description

.cst

Cost block

.lcd

Labeled COMMON definition

.pkw

Primary keyword

.sto

Standard property method

.uos

Unit operation system model

.utl

Utility model

.rxn

Reaction model

.dat

Data for miscellaneous table types

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

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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.

To update the system SDF, follow these steps:


1. Create or modify a TBS input file.
2. Create a copy of the SDF in your working directory.
3. Run TBS on the copy of the SDF.
Every TBS input file has the following structure:
Header Information
.
TBS table input data
.
.
End

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

DELETE

entrynam

or
tabname

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.

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Chapter 3

Converting Version 9.x TBS Input Files


If you want to create your own SDF by using a TBS file from Aspen Plus Version
9.x or using your own TBS file, you must add the following line right before the
first SKW declaration:
VIRT

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.

Example of a TBS file with VIRT Statement


This example shows the use of the VIRT statement unit operation (UOS) model named XYZZ.
UOSM
REPLACE
XYZZ
UXYZZI
-1
-1
-1
0
0
-1
-1
-1
0
3
WORK
DUMMY
2
WORK
IPTEMP
1
WORK
RPTEMP
2
0 SIZE AREAS
VIRT
0 0
1
SKW SUBROUTINE
1
TKW MODEL

XYZZ
1
-999
-999

+
+

20
20

41
1

0
0

0
0

20
1
1

145
146

SUBROUTINE

SUBR

MODEL

MODL

1
1
1

1
3
MISSING

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Chapter 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

Adding User and In-House Databanks


To add user or in-house databanks, follow these steps:
1. Create the databanks in the Aspen Plus simulation engine.
2. Create a user interface databank input file to define the databank location
and component list.
3. Modify the MMTBS driver file for a user or in-house databank.
4. Run MMTBS to add the databanks and prompts to the user interface.
5. Add Help for the databanks.

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Configuring
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Databanks

The following sections explain each step in detail.

Creating Databanks in the Aspen Plus Simulation


Engine
Use the Aspen Plus Data File Management System (DFMS) to create the
databanks on the same computer that runs the Aspen Plus simulation engine.
See Aspen Plus Physical Property Data, Chapter 1, for instructions.
For the following systems, you must have write access to the Aspen Plus system
directory before creating an in-house databank:
Windows systems that use a network file server
For system and in-house databanks, you must either have write permission to
the Aspen Plus system directory for databanks or you must set the environment
variable or symbol XDATA to point to the working directory where the databanks
are to be created.

Aspen Plus Host

Command to Set XDATA

Windows

set XDATA=db_working_directory

Where db_working_directory is the complete directory specification for the system or in-house databank.

To create the databanks:


1. Create the DFMS input files containing all the physical property data.
2. Run the DFMS using this command:
dfms input_file output_file

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.

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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.

Example for Creating an In-House Databank


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

Type at the command line prompt:


dfms mydata run1

This command creates:

Databank Inhspcd.dat in the system directory


Report file Run1.rep in the current directory

Example for Creating a User Databank


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

Where proja is the password for this databank.


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.

Creating the User Interface Databank Input File


Before you can customize the Aspen Plus user interface, the following directory
must be present:
C:\Program Files\AspenTech\APrSystem 11.1\GUI\custom

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Configuring
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Property
Databanks

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

alias

4-4

for filename.

Component alias, up to 12 characters (no embedded blanks)

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long-name

Component long-name, up to 32 characters (no embedded


blanks).If you want embedded blanks for the long name, use
quotes (" ")around the long-name entry.

charge

Ionic charge. Use 0 if unknown. Used on the Electrolyte


Wizard on the Components Specifications Selection sheet.

molwt

Molecular weight. There is no default. Used on the


Components Find dialog box on the Components Specifications
Selection sheet. Use zero (0) if unknown.

bp

Boiling point, Kelvin. Use 0.100000E+36 if unknown. Used on


the Components Find dialog box on the Components
Specifications Selection sheet.

vlstd

Standard liquid molar volume at 60F, m3/kgmole. Use


0.100000E+36 if unknown. Not currently used.

cas

CAS registry number, up to 19 characters. Use an asterisk (*)


if unknown. Used on the Components Find dialog box on the
Components Specifications Selection sheet.

class

Component class, up to 49 characters. Use a blank space if


unknown. Used on the Components Find dialog box on the
Components Specifications Selection sheet.

4-5

Configuring
Physical
Property
Databanks

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
2,3,4-Alkenes
Acetates
Aldehydes
Aliphatic-ethers
Alkylcyclohexanes
Alkylcyclopentanes
Alkynes
Anhydrides
Aromatic-alcohols
Aromatic-amines
Aromatic-carboxylic-acids
Aromatic-chlorides
Aromatic-esters
C,H,Br-compounds
C,H,F-compounds
C,H,I-compounds
C,H,NO2-compounds
C,H,multihalogen-compounds
C1/C2-aliphatic-chlorides
C3/higher-aliphatic-chlorides
Cycloaliphatic-alcohols
Cycloalkanes
Cycloalkenes
Dialkenes
Dicarboxylic-acids
Dimethylalkanes
Diphenyl/polyaromatics
Elements
Epoxides
Ethyl/higher-alkenes
Formates
Inorganic-acids
Inorganic-bases
Inorganic-gases
Inorganic-halides
Isocyanates/diisocyanates
Ketones
Mercaptans
Methylalkanes
Methylalkenes
Multiring-cycloalkanes
Naphthalenes

Nitriles
Nitroamines
n-Alcohols
n-Aliphatic-acids
n-Aliphatic-primary-amines
n-Alkanes
n-Alkylbenzenes
Organic-salts
Organic/inorganic-compounds
Other-aliphatic-acids
Other-aliphatic-alcohols
Other-aliphatic-amines
Other-alkanes
Other-alkylbenzenes
Other-amines/imines
Other-condensed-rings
Other-ethers/diethers
Other-hydrocarbon-rings
Other-inorganic-salts
Other-inorganics
Other-monoaromatics
Other-polyfunctional-C,H,O
Other-polyfunctional-organics
Other-saturated-aliphatic-esters
Peroxides
Polyfunctional-C,H,N,halide,(O)
Polyfunctional-C,H,O,N
Polyfunctional-C,H,O,halide
Polyfunctional-C,H,O,S
Polyfunctional-acids
Polyfunctional-amides/amines
Polyfunctional-esters
Polyfunctional-nitriles
Polyols
Propionates-and-butyrates
Silanes/siloxanes
Sodium-salts
Sulfides/thiophenes
Terpenes
Unsaturated-aliphatic-esters

If you use a Fortran program to create this databank input file, you must remove
the Fortran carriage control attribute.

To remove the attribute:


1. Open an empty file, using a text editor, and import your databank input file.
2. Save the file under a new name and exit the text editor. If you are using a
word processor, save the file as a text-only export. Do not save the file in the
word processor's native file format.
3. Rename your new file with the original file name.

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Chapter 4

Modifying the MMTBS Driver File for a User or In-House


Databank
You must modify the MMTBS driver file, tbprop.dat, to include your user or
in-house databank.
In the tbprop.dat file, the delivered databanks are grouped together, as follows:
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE

polymer.dat
segment.dat
pure11.dat
pure10.dat
pure93.dat
pure856.dat
ethylene.dat
aqueous.dat
aqu92.dat
inorgani.dat
aspenpcd.dat
solids.dat
combust.dat

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.

Running MMTBS to Add User and In-House Databanks


to the User Interface
After creating your databank input file and modifying the MMTBS driver file,
you need to update the user interface record definition file (RecDef) by running
MMTBS.
Enter the following command at the DOS prompt:
mmcustom mmtbs

Adding Help for a User or In-House Databank


To create databank hypertext Help:
1. Open the file userdata.rtf using Microsoft Word.
2. In place of the "Databank1" heading, type the text you want as the heading
for your topic.
3. In place of the current text on the page, type the text you want the Help
system to display. You may want to modify the current contents of the
document footnotes with a topic ID of your choice.
4. Compile the Help source files using the userdata.hpj file with the Microsoft
Help Workshop.
For instructions on how to change the Help in the Aspen Plus user interface, see
Appendix A.

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4-7

Configuring
Physical
Property
Databanks

Installing the Databanks in the System


After verifying that the databank has been correctly customized in the user
interface, you can install the user or in-house databank files in the system
directory. Enter the following command at the DOS prompt:
custinst

Example for Adding a User Databank


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.

1. Create the following user interface databank input file, k123.dat:


/*
*/
/* databank used for Project K123
*/
/*
*/
DBANK
ADD
K123
USRPP1 PRJK123
C:\AspenTech\Working Folders\Aspen Plus 11.1\Project
HBR
HYDROGEN-BROMIDE
80.9119
206.450
0.535578E-01
10035-10-6
Inorganic-acids
KBR
POTASSIUM-BROMIDE
119.0020
1653.15
0.559910E-01
*
Inorganic-halides
NABR
SODIUM-BROMIDE
102.8940
1663.82
0.439282E-01
7647-15-6
Sodium-salts
BR2
BROMINE
159.8080
331.900
0.535578E-01
7726-95-6
Elements

4-8

K123\USRPP1A.DAT
0
0
0
0
. . .

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Chapter 4

2. In Tbprop.dat, an MMTBS driver file, add the INCLUDE K123.DAT line after
the PURE93 databank:
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE
INCLUDE

polymer.dat
segment.dat
pure11.dat
pure10.dat
pure93.dat
k123.dat
pure856.dat
ethylene.dat
aqueous.dat
aqu92.dat
inorgani.dat
aspenpcd.dat
solids.dat
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

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Configuring
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Databanks

Adding Binary or Pair Parameter


Databanks
In addition to the databanks described in the previous section, the user interface
contains special databanks for binary and pair parameters. These parameters
appear on the Properties Parameters BinaryInteraction and Parameters
ElectrolytePair forms. These databanks are available only when you use the user
interface. You can use these databanks to store:
Binary parameters for equation-of-state and activity coefficient models
Pair parameters for the electrolyte NRTL model
All parameter values must be in SI units.
To add binary or pair parameter databanks, you need to change only the user
interface files. Perform these steps:
1. Create or modify the user interface binary or pair parameter input file.
2. Modify the MMTBS driver file to include the binary or pair parameter
databank.
3. Run MMTBS to update the user interface record definition (RecDef) files to
include the binary or pair parameter databank.
4. Test your changes in the user interface.

Creating a User Interface Binary or Pair Parameter


Input File
You can create your own binary or pair parameters databank by creating a
databank input file. This file contains the following information for the databank:
Parameter names
Equation-of-state and/or activity coefficient model to which the parameters
apply
Component aliases and parameter values

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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.

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Table 4.1

Parameters for the Binary and Pair Parameter Input File


Parameter

Description

paramtype

Parameter type (currently unused). Enter 1.

n_sections

Number of parameter sections to follow. See Number of Parameter Sections, this chapter.

n_params

Number of parameters listed in the row. See Number of Parameters Listed inRow, this chapter.

paramname

Parameter name (for example, NRTL)

sym_1

Symmetry code of the first element of a vector parameter, or the symmetry code
of the only element of a scalar parameter (for scalar parameter, sym _1 = 2)
0 = Asymmetric parameter (ij ji).
1 = Asymmetric parameter. Specify ij only. Examples are HENRY and VLCLK.
2 = Symmetric parameter. Specify either ij or ji parameter.
3 = Anti-symmetric parameter ij = ji. Requires only one parameter.

sym_2

Symmetry code of the second element of a vector parameter

sym_n

Symmetry code of the nth element of the vector. See Symmetry Codes for a Vector's nth
Element, this chapter.

n_labellines

Number of lines used to specify parameter labels

n_labels

Number of labels on each row. See Labels on Each Row, this chapter.

label1, label2

Labels for each row. See Labels on Each Row, this chapter.

n_modellines

Number of model lines. Enter 1.

eosmodel

For equation-of-state binary parameters, eosmodel is the equation-of-state model to which the
parameters apply. For activity coefficient binary parameters, eosmodel is the equationofstate
model for the vapor phase to which this parameter applies. Enter ALL if the parameter applies to
all equation-of-state models. Some common models are ESRK (RedlichKwong), ESHOC
(HaydenO'Connell),and ESIG (Ideal gas).

gammamodel

Activity coefficient model for the liquid phase to which this parameter applies. Enter ALL if the
parameter applies to all activity coefficient models or if the parameter is for an equationofstate
model. Some common models are GMWILSON, GMRENON, and GMUQUAC.

databankname

Name you give the databank, for example, MYDATABANK. This name appears in the Databanks
sheet on the Parameters Binary Interaction and Parameters Electrolyte Pair forms.

n_comp_pairs

Number of component pairs for which parameters are available. Enter a space and a zero (0)
after the number of component pairs.

compi, compj

Component aliases. See Component Aliases, this chapter.

data1

Parameter 1 for the component pair. Enter two parameters per element for asymmetric
parameters (symmetry code = 0). Enter one parameter per element for all other symmetry
codes.

data2

Parameter 2 for the component pair

4-12

Parameter labels determine how you must enter the parameter values. The number of parameter values entered in a row
must be exactly the same as the number of parameter labels defined for the corresponding row.

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Chapter 4

Number of Parameter Sections


You can use n_sections to put more than one parameter in the same file. The
following example shows how to specify n_sections as 2 for the GMELCC and
GMELCD pair parameters:
DBANK REPLACE GAMKIJ
1
2
1 GMELCC 0
...
...
1 GMELCD 0
...
...

Number of Parameters Listed in Row


You can use n_params to list more than one parameter in a given section. The
following example shows how to specify n_params = 2 for the symmetric binary
parameters BWRKV and BWRKT.
DBANK REPLACE GAMKIJ
1
1
2 BWRKV 2
BWRKT 2
...
...

List only one parameter (n_params = 1) when you specify a vector or multiple
element parameters like NRTL.

Symmetry Codes for a Vector's nth Element


Symmetry codes for a vector's nth element are:
0=

Asymmetric parameter (ij ji). You must enter values for ij and ji
separately. For example, for element 1 of NRTL you must enter both aij and
aji.

1=

Asymmetric parameter, but only the ij parameter is meaningful. For


example, HENRY can have parameters for CO2-H2O and not H2O-CO2.
Enter only aij.

2=

Symmetric parameter. For example, the third element of NRTL is


symmetric (cij = cji). Enter only cij.

3=

Parameter ij = ji. You can enter only one parameter.

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

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Configuring
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Databanks

In another example, HENRY has six elements. Elements 1, 2, 3, and 4 are


asymmetric, while the rest are symmetric. For elements 1-4, only the ij
parameters are meaningful.
DBANK REPLACE GAMKIJ
1
1
1 HENRY 1 1 1 1 2

Labels on Each Row


You can use n_labels to indicate the number of labels in each row. Use label1 and
label2 to specify the labels.
For example, NRTL needs three lines (n_labellines = 3) to specify all labels. Each
line has four labels (n_labels = 4)
3
4
4
4

aij
cij
fij

aji
dij
fji

bij
eij
Tlower

bji
eji
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+$HCO38.045000
...

-4.072000

The databank name is ENRTLRK.

Templates for Commonly Used Headers


This section provides input file header templates for the following commonly
used binary and scalar parameters:
NRTL binary parameters
Wilson binary parameters
Scalar parameters

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Chapter 4

These templates are available online in the directory


C:\Program Files\AspenTech\APrSystem 11.1\GUI\custom\Examples.

NRTL Binary Parameters


The following template shows the NRTLRK databank for the NRTL binary
parameters, with RedlichKwong equation of state for the vapor phase:
DBANK REPLACE GAMKIJ
1
1
1 NRTL 0 0 2 2 0 0 2 2
3
4 aij
aji
bij
bji
4 cij
dij
eij
eji
4 fij
fji
Tlower
Tupper
1
ESRK GMRENON NRTL-RK
2
HCLO
H2O
-7.175849 11.25094 0.0000 0.0000
0.3000
0.0000
0.0000 0.0000
0.0000
0.0000
273.15 373.15
CCL4
H2O
-2.297253 97.28083 0.0000 0.0000
0.3000
0.0000
0.0000 0.0000
0.0000
0.0000
298.15 383.15

Wilson Binary Parameters


The following template shows the VLE-LIT databank for the Wilson binary
parameters, with ideal gas law for the vapor phase. You can use the same
template for UNIQUAC. Simply change the parameter name to UNIQ, and the
GAMMA model name to GMUQUAC, as shown:
DBANK REPLACE GAMKIJ
1
1
1 WILSON 0 0 0 0 2 2
3
4 aij
aji
bij
bji
4 cij
cji
dij
dji
2 Tlower
Tupper
1
ESIG GMWILSON VLE-LIT
2
H2O
C2H6OS
1.3726
-1.3726
121.5388
0.0
0.0
0.0
363.1500 443.1500
H2O
C4H10O2-D2
1.5871
-1.5871
-340.0639
0.0
0.0
0.0
363.1500 413.1500

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-838.3509
0.0
-206.5626
0.0

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Configuring
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Property
Databanks

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

Modifying the MMTBS Driver File


You must update the MMTBS driver file, Tbprop.dat, to include your binary or
pair parameter databank. You can create a new section in Tbprop.dat for your
binary or pair parameter databank files. Or add your files to the end of the
Databank Input Files section. Add files to the Tbprop.dat file using the
INCLUDE statement. The following example adds the Binkij.dat file:
/*
/* Binary and Pair Parameter Databanks
/*
INCLUDE binkij.dat

*/
*/
*/

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.

Testing Your Changes in the User Interface


To test your changes, follow these steps:
1. Launch the User Interface and open the file custom.bkp located in the
customization 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.
2. Go to the Components Specifications Selection sheet and select the
components that are in the binary databank.
3. Go to the Properties Specifications Global sheet. Select the property method
that contains the binary parameters defined in the binary databank.

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Chapter 4

4. Go to the Properties Parameters Binary Interaction form for the parameter.


The Databank sheet should display the name of the databank. The input
sheet should display the binary parameter values.
5. For pair parameters, go to the Properties Parameters ElectrolytePair form.
6. Once you are satisfied with the changes, use the command Custinst to copy
files to the system directory for general use.

Adding Ionic Reactions to the Electrolyte


Reaction Database
The user interface contains a database for ionic reactions, which is used by the
Electrolyte Expert System. The database contains the following information:
Complete dissociation reaction (DISS)
Partial dissociation reaction (STOIC)
Salt precipitation reaction (SALT)
Equilibrium constants for the STOIC reaction
Equilibrium constants for the SALT reaction
Composition scale of the equilibrium constants (molal or mole fraction)
To create an ionic reactions databank, you must:
1. Create an ionic reactions databank input file.
2. Modify the MMTBS driver file to include the ionic reaction databank.
3. Run MMTBS to update the user interface with the new databank.
If the reaction database contains components that are not in any of the
Aspen Plus pure component databanks, you must add these components to the
AQUEOUS, SOLIDS, user, or in-house databanks.
For a detailed description of the user interface customization files and their
locations, see Appendix A.

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Creating an Ionic Reactions Input File


The file format for the ionic reactions input file is:
REACTNS ADD rxn_name
rxn_type
n_comps
comp_alias coeff salt-flag
.
.
.
K-stoic or K-salt or *
comp_scale

Table 4.2 describes parameters for this file.

Table 4.2

4-18

Parameters for the Ionic Reactions Input File


Parameter

Description

rxn_name

Reaction name

rxn_type

Reaction type:
DISS = Complete dissociation
STOIC = Partial dissociation, equilibrium reaction
SALT = Salt precipitation reaction

n_comps

Number of components involved in this reaction

comp_alias

Component alias

coeff

Stoichiometric coefficient:
> 0 = Products of the reaction
< 0 = Reactants of the reaction

salt-flag

Used only for DISS and SALT reactions:


0 = ions and non-salt
1 = salt or electrolyte

K-stoic

Coefficients a, b, c, and d for STOIC equilibrium constants


ln(K) = a + b /T + c ln(T) + d T. T is in Kelvin. Enter an asterisk (*) if
K-stoic is not available.

K-salt

Coefficients a, b, c, and d for SALT equilibrium constants


ln(K) = a + b /T + c ln(T) + d T. T is in Kelvin. Enter an asterisk (*) if
K-salt is not available. (No comp-scale line is necessary.)

comp_scale

Composition scale for the equilibrium constants (molal or mole-fraction).


(No comp-scale line is necessary, if K-salt is not available and you entered
an asterisk.)

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Chapter 4

Example of an Equilibrium Reaction for H2S in Water to Form H3O+ and


HS Ions
This example includes STOIC equilibrium constants on a molality scale.
REACTNS ADD H2S
STOIC
4
H2S
H2O
H3O+
HS218.599
MOLAL

-1
-1
1
1
-12995.4 -33.5471

Example of a Complete Dissociation Reaction of NaCl into Na+ and Cl


Ions
REACTNS ADD NACLDISS
DISS
3
NACL
-1
NA+
1
CL1
*

1
0
0

Example of Salt Precipitation Reaction for NaCl


SALT equilibrium constants are on a mole-fraction scale.
REACTNS ADD NACLSALT
SALT
3
NACL
-1
1
NA+
1
0
CL1
0
-203.5875 4381.176 35.87518 -.06721607
MOLEFRAC

Modifying the MMTBS Driver File


To include your ionic reactions databank, you must modify the MMTBS driver
file, tbprop.dat. Add your file to the tbprop.dat file using the INCLUDE
statement. The system reactions databank is stored in the reactns.dat file. In the
following example, your own reaction databank, stored in the rxn_cus.dat file, is
added to the MMTBS driver file:
/*
/*
Reactions table
/*
INCLUDE reactns.dat
INCLUDE rxn_cus.dat

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*/
*/
*/

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Configuring
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Property
Databanks

Running MMTBS to Update the User Interface Reaction


Databank
To run MMTBS, enter the following command at the DOS prompt:
mmcustom mmtbs

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

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Chapter 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

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Configuring
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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.

Customizing the Aspen Plus Simulation


Engine
You can use TBS files to customize the physical property system. Using TBS you
can create or modify the Aspen Plus simulation engine physical property models,
routes, and methods. See Creating In-House Physical Property Models, Routes,
and Methods later in this chapter, for more information.
Follow these steps to customize the simulation engine:
1. Modify the existing Aspen Plus TBS customization files. Table 5.1 lists these
files.
2. Create the TBS update file from the TBS customization files by adding a
header and footer to the TBS files.

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Chapter 5

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.

Modifying the TBS Customization Files


Table 5.1 lists the TBS files you can use to customize the physical property
system. These files contain descriptions of physical property parameters, models,
routes, and methods. For detailed information about the formats of these files,
see Appendix B. If you have changed any of these files, you also must customize
the user interface. For more information on customizing the user interface, see
Appendix A.
It is recommended that you create a special directory under the Aspen Plus
directory structure to store your customized files and to test the customization.
Or you can use the Aspen Plus update directory.
To go to the Aspen Plus update directory, use the appropriate command, as
follows:
Operating System

Windows

Table 5.1

CD "C:\Program Files\AspenTech\APrSystem 11.1\Engine\inhouse"

If you install the Aspen Plus simulation engine on a different disk drive or directory, enter the appropriate drive name and
directory location.

TBS Files Used to Customize the Physical Property System


File Name

Description

*.lcd

Property parameter definitions

ppcnvpmd.dat

Conventional property model definitions

ppenmprt.dat

Encoded major property routes

ppensprt.dat

Encoded subordinate property routes

ppsublst.dat

Property subroutine list

*.sto

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Command

Property methods

Each property parameter definition is stored as a separate file with the .lcd file type.
Each property method is stored as a separate file with the .sto file type.

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Configuring
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Property
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The files listed in Table 5.1 are located in the Aspen Physical Property System
TBS directory:
Operating System

Windows

Directory
C:\Program Files\AspenTech\APrSystem 11.1\Engine\tbs

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

Creating the TBS Update File From TBS Customization


Files
After you customize the TBS files to include the new models, routes, and
property methods, you must prepare these files for running the Aspen Plus TBS
to update the SDF. Use the maketbs command to prepare the update file.
If you have only one TBS file, use the following command:
maketbs filename.dat

Where filename.dat is the TBS customization file name (such as ppcnvpmd.dat).


The maketbs command creates a new file named tbsupd.dat that you use to run
TBS to update the SDF. The original TBS file, filename.dat, is unchanged. The
new tbsupd.dat file contains the TBS header, your TBS file, and the TBS footer.
If you have more than one TBS file, combine all your TBS files into one file for
running TBS, and follow these steps:
1. Create a new file to list the names of all your TBS files.
2. List each TBS file on a new line, starting in column one. List both the file
name and file extension. We recommend that you give this file an .lis
extension.
3. Use the following command:
maketbs @filename.lis

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

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Chapter 5

Running the Aspen Plus Table Building System


After you prepare the TBS update file, you must run the TBS to update the SDF.
To run the TBS, follow these steps:
1. From the directory that contains the TBS update file, copy the Aspen Plus
System Definition File (SDF):
Operating
System

Windows

Command
COPY "C:\Program Files\AspenTech\Aspen Plus 11.1\Engine\XEQ\SDFFIL.SDF"
SDFNEW.SDF

If you install Aspen Plus on a different disk drive or directory, enter the appropriate drive name and directory location.

2. Run the TBS using the TBS update file, tbsupd.dat, created in the previous
section:
tbs tbsupd.dat

Test your customization by using the new models, routes, or methods in an


Aspen Plus run.

Installing the SDF File in Aspen Plus


After you test your changes in the customization directory or in the Aspen Plus
update directory, install the SDF file in the Aspen Plus system directory:
Operating
System

Windows

Command

COPY SDFNEW.SDF
"C:\Program Files\AspenTech\Aspen Plus 11.1\Engine\XEQ\SDFFIL.SDF"

You must remove write protection from the system SDF before copying the new file.
If you install Aspen Plus on a different disk drive or directory, enter the appropriate drive name and directory location.

You can then delete the SDF file from the customization directory.
Important

System Management
Version 11.1

Keep the customized TBS files for customizing future


versions of the Aspen Plus simulation engine and user
interface.

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Configuring
Physical
Property
Methods

Customizing the Aspen Plus User


Interface
To customize the user interface, follow these steps:
1. Modify the appropriate MMTBS input files, or use the TBS files you utilized
to customize the Aspen Plus simulation engine.
2. Modify any related Help files.
3. Modify the MMTBS and Help driver files.
4. Run MMCUSTOM to modify the user interface RecDef and Help files.
5. Install the new RecDef and Help files in the user interface system directory.
For instructions to modify the user interface to reflect changes made in the
Aspen Plus simulation engine, see Appendix A.

Creating In-House Physical Property


Models, Routes, and Methods
Familiarize yourself with the concepts of physical property models, routes, and
methods before you attempt to create them in-house. For more information about
these concepts, see Aspen Plus Physical Property Methods and Models, Chapter 4.
This section describes the mechanics for creating Aspen Plus property models,
routes, and methods for in-house use. After you modify the Aspen Plus
simulation engine, customize the user interface. This ensures that the new
models, routes, and methods appear when you use the list box on Properties
forms.
This section discusses:
Adding models, routes, and methods to the simulation engine
Adding models, routes, and property methods to the Aspen Plus user
interface
Adding prompts and Help for models, routes, and property methods

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Chapter 5

Adding Models, Routes, and Property Methods to the


Simulation Engine
To add property models, routes, and methods to the simulation engine, you must
create a customization directory in which to work, then follow these steps:
1. Define the new property method using the Property Method Table (see Table
B.7). For each major property, you can reference an existing route or a new
route. Name the property method with an .sto extension. If the new property
method references only existing routes, you can skip steps 2 to 6, and go
directly to step 7.
2. Define each new major property route referenced by the new property method
using the Major Property Route table (see Figure B.4). Look for a
system-defined route in the ppenmprt.dat file that has similar characteristics
as the new route. If you can locate a similar route, copy the route table,
assign to it a new route ID, then add your changes. If you cannot locate a
similar route, you must create the route using the format in Figure B.4.
The new major property route can reference other major or subordinate
property routes and property models, as follows:
For each new major property route, repeat step 2.
For each new subordinate property route, follow step 3.
For each new property model, follow step 4.
3. Define each new subordinate property route using the Subordinate Property
Route Table (see Figure B.5). Follow the same procedure for creating a major
property route in step 2, with one exception: search the ppensprt.dat file for
system-defined subordinate property routes.
The new subordinate property route can reference other major or subordinate
property routes. It can also reference property models. For each new major
property route, perform step 2. For each new subordinate property route,
repeat step 3. For each new property model, perform step 4.
4. Define each new property model using the Conventional Property Model
Definition table (Figure B.1). Search the ppcnvpmd.dat file for a
system-defined model that has characteristics similar to the new model. If
you can locate a similar model, copy it, assign to it a new model name, and
add your changes.
The new model can reference initialization and mainline subroutines. Define
these subroutines in step 5.
The new model can also reference property parameters. These parameters are
required to store model-specific parameters and are defined in step 7.

System Management
Version 11.1

5-7

Configuring
Physical
Property
Methods

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

ppuser_phcciu

Initialization subroutine

phcciu.f

ppuser_esmnu, ppuser_esmnu0

Equation-of-state mainline subroutine

esmnu.f, esmnu0.f

ppuser_mdmon9

Remaining mainline subroutines

mdmon9.f

6. See Building System Shared Libraries, Chapter 3, for details on modifying


these system routines. You must also write the initialization and mainline
subroutines. Compile these subroutines in your customization directory.
7. Define each new property parameter using the Property Parameter Definition
Table (see Figure B.2).
8. Prepare the TBS files to run the Table Building System, by creating the TBS
update file. Next, create a list file, with an .lis file extension, to list all TBS
files. Use this command to create the TBS update file:
maketbs @filename.lis

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

Example for Adding a Property Method to the Simulation Engine


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.

5-8

System Management
Version 11.1

Chapter 5

Using a text editor, modify pr-lk.sto, as follows:


Replace this route

With this route

HVMX24

HVMX13

HLMX106

HLMX13

GVMX30

GVMX13

GLMX106

GLMX13

SVMX24

SVMX13

SLMX98

SLMX13

VLMX20

VLNEW

The system-defined routes HVMX13, HLMX13, GVMX13, GLMX13, SVMX13, and


SLMX13 calculate vapor and liquid mixture enthalpy, Gibbs energy, and entropy. The
routes use the Lee-Kesler model. The new route for calculating liquid mixture molar
volume, VLNEW, is defined in step 2.
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
HLMX
HLMX13
SVMX
SVMX13
VLMX
VLNEW
KVMX
KVMX01
DLMX
DLMX02
PHIL
PHIL11
GV
GV09
SL
SL10
DL
DL01
MUV
MUV01
SIGL
SIGL01

PHILMX
GVMX
SLMX
MUVMX
KLMX
SIGLMX
HV
GL
VV
DV
KV
PHIS

PHILMX104
GVMX13
SLMX13
MUVMX02
KLMX01
SIGLMX02
HV09
GL11
VV07
DV02
KV01
PHIS06

HVMX
GLMX
VVMX
MULMX
DVMX
PHIV
HL
SV
VL
MUL
KL

HVMX13
GLMX13
VVMX24
MULMX03
DVMX02
PHIV09
HL12
SV09
VL01
MUL01
KL01

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
0
0
0
0

900

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.)
Add the following table to the end of the ppcnvpmd.dat file:

System Management
Version 11.1

5-9

Configuring
Physical
Property
Methods

PPCNVPMD REPLACE
VLMOD
VLMX
900
0111 00001
0
0
0
1
VL900
1
VLLC

00001

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
User
1
1
1D35
1
44
1
44

VLLC
Molar Volume
1
0
900
1

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

Create the TBS update file by using the command:


maketbs @pr-lk.lis

This command creates the tbsupd.dat file.


7. Copy the Aspen Plus System Definition File (SDF) to your working directory. See Running
the Aspen Plus Table Building System, this chapter.
8. Run TBS to update the SDF using the tbsupd.dat file:
tbs tbsupd.dat

9. To confirm the customization, use the PR-LK property method in a PROPERTIES


paragraph. Use a PROP-TABLE to report mixture vapor and liquid enthalpy and liquid
molar volume. Compare the results against expected values.

5-10

System Management
Version 11.1

Chapter 5

Adding Models, Routes, and Property Methods to the


Aspen Plus User Interface
You can modify simulation engine files to include models, routes, and property
methods. You can also use most of these files to change the user interface Record
Definition (RecDef) files. Exceptions are as follows:
The ppsublst.dat file is not required.
You must combine your modified or new property parameter definition (*.lcd)
files with the user interface lcd_cust.dat file.
You must combine your modified or new property method definition (*.sto)
files with the user interface ppstoptn.dat file.
You must copy your modified or new model definitions in the ppcnvpmd.dat
file to the mdl_cust.dat file.
The Aspen Plus User Interface Customization files are located in the
customization directory:
C:\Program Files\AspenTech\APrSystem 11.1\GUI\custom

Use the following command to run the MMTBS to update the RecDef files.
mmcustom mmtbs

Then follow these steps:


1. To verify the customization, start the user interface and review the new
models, routes, and property methods on the appropriate forms. To start the
Aspen Plus User Interface and use the locally modified RecDef file, you must
open the file custom.bkp from your customization directory.
Otherwise, the unmodified system copy of the RecDef file is used.
2. Install the new RecDef files into the user interface system directory, using
the following command:
custinst

Note

System Management
Version 11.1

You must have write access to the user interface system directory
to run custinst.

5-11

Configuring
Physical
Property
Methods

Adding Prompts and Help for Models, Routes, and


Property Methods
To add prompts and Help for your models, routes, and property methods, follow
these steps:
1. Modify or create the Help (.hxt) file and the Windows Help (.hlp) file. For
detailed instructions, see Appendix A.
2. Modify the HTM Help driver file (tbcustom.hxt).
3. Process the Help file to incorporate your prompts and Help into the user
interface Help file (mmg.hms).
You can describe your property method, model, or parameter in the ppstoptn.hxt,
ppcnvpmd.hxt, or pplcdefs.hxt files, respectively, using one or both of the
following:
A two-line prompt
Link to the Windows Help created in step 1.
For property routes in the ppenmprt.hxt and ppensprt.hxt files, you can only add
prompts. When you click the View button on the Properties Property Methods
Routes sheet, Aspen Plus displays a route tree that graphically describes the
route in question.
You can add prompts and Help to the existing Help files. Or, you can save your
prompts and Help in a new file. In either case, you must list the modified or new
file names in the HTM Help driver file, tbcustom.hxt, in the user interface
customization directory. It is recommended that you save all your customized
Help and prompt information in new files rather than adding them to existing
Help (*.hxt) files. This will speed up the customization process, especially for the
customization of future releases.
Use the following command to incorporate your changes into the binary Help file,
mmg.hms:
mmcustom htm

For more information, see Creating Help and Prompts, Appendix A.

5-12

System Management
Version 11.1

Chapter 5

Example for Adding a Property Method to the User Interface


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

pr-lk.sto (property method definition)

ppstoptn.dat

vllc.lcd (parameter definition)

lcd_cust.dat

vlmod.dat (model definition)

mdl_cust.dat

vlnew.dat (route definition)

ppenmprt.dat

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

System Management
Version 11.1

5-13

Configuring
Physical
Property
Methods

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.
9. Examine the new prompts associated with these entries.
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.

5-14

System Management
Version 11.1

Chapter 5

Figure 5.1 shows an edited custom.rtf page.

Figure 5.1

Example of Edited Custom.rtf in MS Word Page Layout View

#$>PR-LK Equation of State


This method employs the Standard Peng-Robinson Equation of State with the following changes
to the listed properties below:
Property
Liquid Mixture Enthalpy
Liquid Mixture Entropy

Change
Uses Lee-Kesler Enthalpy Model.
Uses Lee-Kesler Entropy Model.

Liquid Mixture Gibbs Free Energy


Liquid Molar Volume

Uses Lee-Kesler Gibbs Free Energy Model.


In-House Model.

# PR-LK Equation of State


$ PR-LK Equation of State
> Main

System Management
Version 11.1

5-15

Configuring
Physical
Property
Methods

5-16

System Management
Version 11.1

Chapter 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.

System Management
Version 11.1

6-1

Configuring
Pressure
Relief, Pipe,
and Valve
Equipment
Data

The following data files can be changed:


Note

The format of the files is not column-sensitive.

This file

Contains data for

liqtable.dat

Liquid service safety relief valves

gastable.dat

Gas/two-phase service safety relief valves

rupture.dat

Rupture disks

pipe.dat

Pipes used in the pressure relief system and the Pipe unit operation model

ervtable.dat

Emergency relief vents

transflo.dat

Valves used in the inlet and tail pipes

valve.dat

Valves used in the Valve unit operation model

Liquid Service Safety Relief Valves for


Pressure Relief
The Pres-Relief ReliefDevice SafetyValve sheet contains a table of liquid service
safety relief valves. Aspen Plus uses this table if Service="Liquid only." The user
chooses:
Valve type
Manufacturer
Series
Nominal diameter
Aspen Plus retrieves these specifications from the table:
Throat diameter
Inlet diameter
Outlet diameter
Discharge coefficient
Over-pressure factor
The valve opens completely when pressure at the valve entrance is equal to the
over-pressure factor multiplied by the initial opening pressure.

6-2

System Management
Version 11.1

Chapter 6

The over-pressure factor defaults to 1.1. To customize the table, modify the
liqtable.dat file. Figure 6.1 shows the file organization.
Note

Figure 6.1

The indentation is for reading clarity only.

Liquid Service Safety Relief Valves File Organization


PRSRV
REPLACE
LIQUID
no_types
name_typei
no_manuf
name_manufj
no_series
seriesk
no_sizes
i_diamm
o_diamm
cdm opfm
sizem t_diamm
sizem+1 t_diamm+1 i_diamm+1 o_diamm+1 cdm+1 opfm+1
.
.
.
seriesk+1
.
.
.
name_manufj+1
.
.
.
name_typei+1
.
.
.

Where:
no_types

name_typei =
no_manuf
=

no_series

Number of manufacturers
Name of jth manufacturer. Repeat this section for each
manufacturer.
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

t_diamm

A character string specifying the nominal size, up to 20


characters
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

name_manufj =

System Management
Version 11.1

Number of types
Name of ith type. Repeat this section for each type.

6-3

Configuring
Pressure
Relief, Pipe,
and Valve
Equipment
Data

Figure 6.2 is an abbreviated version of the delivered liqtable.dat file. The


comments provided here are not included in the file.

Figure 6.2

liqtable.dat File
Keywords and Data
PRSRV REPLACE LIQUID

Comments
Liquid service table

There is one type.

CONV

The type is CONV.

There are two manufacturers.

CROSBY

The first manufacturer is CROSBY.

JLT

The series is JLT.

There are three sizes for series JLT.

1_2_0.398_(D)

0.398 1.049 2.067 0.729 1.1

size t_diam i_diam o_diam cd opf

1_2_0.531_(E)

0.531 1.049 2.067 0.729 1.1

size t_diam i_diam o_diam cd opf

1.5_2_0.665_(F) 0.665 1.61

2.067 0.729 1.1

size t_diam i_diam o_diam cd opf

DRESSER

The second manufacturer is DRESSER.

There is one series.

1900

The series is 1900.

There are four sizes for series 1900.

1_2_0.4036_(D)

0.4036 1.049 2.067 0.744 1.1

size t_diam i_diam o_diam cd opf

1_2_0.5387_(E)

0.5387 1.049 2.067 0.744 1.1

size t_diam i_diam o_diam cd opf

1.5_2_0.674_(F)

0.674

1.61

2.067 0.744 1.1

size t_diam i_diam o_diam cd opf

1.5_2.5_0.863_(G)0.863

1.61

2.469 0.744 1.1

size t_diam i_diam o_diam cd opf

6-4

Where:
size = Valve size
t_diam = Throat diameter in inches
i_diam = Inlet diameter in inches
o_diam = Outlet diameter in inches
cd = Discharge coefficient
opf = Over-pressure factor

System Management
Version 11.1

Chapter 6

Gas/2-Phase Service Safety Relief Valves


for Pressure Relief
The Pres-Relief ReliefDevice SafetyValve sheet also contains a table of
gas/2-phase service safety relief valves. Aspen Plus uses this table if
Service="Gas or 2-phase." The user chooses:
Valve type
Manufacturer
Series
Nominal diameter
Aspen Plus retrieves these specifications from the table:
Throat diameter
Inlet diameter
Outlet diameter
Discharge coefficient

System Management
Version 11.1

6-5

Configuring
Pressure
Relief, Pipe,
and Valve
Equipment
Data

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.

Figure 6.3

Gas/2-Phase Service Safety Relief Valves File Organization


PRSRV
REPLACE
GAS/2-PHASE
no_types
name_typei
no_manuf
name_manufj
no_series
seriesk
no_size
i_diamm
o_diamm
cdm
sizem t_diamm
sizem+1 t_diamm+1 i_diamm+1 o_diamm+1 cdm+1
.
.
.
seriesk+1
.
.
.
name_manufj+1
.
.
.
name_typei+1
.
.
.

Where:
no_types

6-6

=
name_typei =
no_manuf
=

Number of types

name_manufj =

Name of jth manufacturer. Repeat this section for each


manufacturer.

Name of ith type


Number of manufacturers

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

System Management
Version 11.1

Chapter 6

Figure 6.4 is an abbreviated version of the delivered gastable.dat file. The


comments provided here are not included in the file.

Figure 6.4

gastable.dat File
Keywords and Data
PRSRV REPLACE GAS/2-PHASE

Comments
Gas or 2-phase service table.

There is one type.

CONV

The type is CONV.

There are two manufacturers.

CROSBY

The first manufacturer is CROSBY.

There is one series.

JOS

The series is JOS.

There are three sizes for series JOS.

1_2_0.398_(D)

0.398 1.049 2.067 0.961

size t_diam i_diam o_diam cd

1_2_0.531_(E)

0.531 1.049 2.067 0.961

size t_diam i_diam o_diam cd

1.5_2_0.665_(F) 0.665 1.61

2.067 0.961

size t_diam i_diam o_diam cd

DRESSER

The second manufacturer is DRESSER.

There is one series.

1900

The series is 1900.

There are four sizes for series 1900.

1_2_0.4306_(D)

0.4036 1.049 2.067 0.950

size t_diam i_diam o_diam cd

1_2_0.5387_(E)

0.5387 1.049 2.067 0.950

size t_diam i_diam o_diam cd

1.5_2_0.674_(F)

0.674

1.61

2.067 0.950

size t_diam i_diam o_diam cd

1.5_2.5_0.863_(G) 0.863

1.61

2.469 0.950

size t_diam i_diam o_diam cd

System Management
Version 11.1

Where:
size = Valve size
t_diam = Throat diameter in inches
i_diam = Inlet diameter in inches
o_diam = Outlet diameter in inches
cd = Discharge coefficient

6-7

Configuring
Pressure
Relief, Pipe,
and Valve
Equipment
Data

Rupture Disks for Pressure Relief


The Pres-Relief ReliefDevice RuptureDisk sheet contains the rupture disks table.
The user chooses:
Manufacturer
Style
Nominal diameter
Aspen Plus retrieves these specifications from the table:
Actual diameter
Discharge coefficient
To customize the table, modify the rupture.dat file. Figure 6.5 shows the
organization of the file. The indentation is for reading clarity only.

Figure 6.5

Rupture Disks File Organization


PRRUP
REPLACE
no_style
name_stylei
no_sizes
nom_diamj
nom_diamj+1
.
.
.
name_stylei+1
.
.
.

act_diamj
act_diamj+1

cdj
cdj+1

Where:
manuf

Manufacturer type

no_style

Number of styles

name_stylei =

6-8

manuf

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

System Management
Version 11.1

Chapter 6

Figure 6.6 is an abbreviated version of the delivered rupture.dat file. The


comments provided here are not included in the file.

Figure 6.6

rupture.dat File
Keywords and Data
PRRUP
REPLACE

Comments
ZOOK

There are two styles.

MONO

The first style is MONO.

There are three sizes of style MONO.

.5-IN

.5

.888

nom_diam act_diam cd

.75-IN

.75

.888

nom_diam act_diam cd

1-IN

1.

.888

nom_diam act_diam cd

INVERTED

The second style is INVERTED.

There are two sizes of style INVERTED.

.5-IN

.5

.779

nom_diam act_diam cd

.75-IN

.75

.779

nom_diam act_diam cd

PRRUP

REPLACE

FIKE

The second manufacturer is FIKE.

There are two styles.

The first style is P.

There are three sizes of style P.

.5-IN

.5

.62

nom_diam act_diam cd

.75-IN

.742

.62

nom_diam act_diam cd

1-IN

.9568

.62

nom_diam act_diam cd

CP

The second style is CP.

There are four sizes of style CP.

.5-IN

.5

.62

nom_diam act_diam cd

.75-IN

.742

.62

nom_diam act_diam cd

1-IN

.9568

.62

nom_diam act_diam cd

1.5-IN

1.5

.62

nom_diam act_diam cd

System Management
Version 11.1

The first manufacturer is ZOOK.

Where
nom _diam = Nominal diameter
act_diam = Actual diameter in inches
cd = Discharge coefficient

6-9

Configuring
Pressure
Relief, Pipe,
and Valve
Equipment
Data

Pipes for Pressure Relief and the Pipe


Model
The Pres-Relief InletPipes , Pres-Relief TailPipes, and Pipe Setup forms contain
the pipe schedule table. The user chooses:
Material
Schedule
Nominal diameter
Aspen Plus retrieves the actual diameter and roughness from the table. To
customize the table, modify the pipe.dat file. Figure 6.7 shows the file
organization. The indentation is for reading clarity only.

Figure 6.7

Pressure Relief Pipes File Organization


PRPIPE REPLACE material
no_sch
schedulei
no_diam
nom_diamj
act_diamj
nom_diamj+1
act_diamj+1
.
.
.
schedulei+1
.
.
.

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 =

6-10

roughnessj
roughnessj+1

Absolute roughness in feet

System Management
Version 11.1

Chapter 6

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.

Figure 6.8

pipe.dat File
Keywords and Data
PRPIPE REPLACE

Comments
CARBON-STEEL

There are two schedules.

10

The first schedule is schedule 10.

There are three sizes for schedule 10.

0.25-IN

0.410

.00015

nom_diam act_diam roughness

0.375-IN

0.545

.00015

nom_diam act_diam roughness

0.500-IN

0.674

.00015

nom_diam act_diam roughness

20

The second schedule is schedule 20.

There are three sizes for schedule 20.

1-IN

1.073

.00015

nom_diam act_diam roughness

2-IN

2.111

.00015

nom_diam act_diam roughness

3-IN

3.164

.00015

nom_diam act_diam roughness

System Management
Version 11.1

The material is carbon-steel.

Where:
nom_diam = Nominal diameter
act_diam = Actual diameter in inches
roughness = Absolute roughness in feet

6-11

Configuring
Pressure
Relief, Pipe,
and Valve
Equipment
Data

Emergency Relief Vents for Pressure


Relief
The Pres-Relief ReliefDevice ReliefVent sheet contains a table of emergency relief
vents. The user chooses:
Manufacturer
Style
Nominal diameter
Aspen Plus retrieves these specifications from the table:
Diameter
Recommended setpoint
To customize the table, modify the ervtable.dat file. Figure 6.9 shows the file
organization. The indentation is for reading clarity only.

Figure 6.9

Emergency Relief Vents File Organization


PRERV REPLACE manuf
no_style
name_stylej
no_sizes
nom_sizej
nom_sizej+1
.
.
.
name_stylej+1
.
.
.
no_stylei+1
.
.
.

6-12

act_diamj
act_diamj+1

setpointj
setpointj+1

System Management
Version 11.1

Chapter 6

Where:
manuf

Manufacturer type

=
name_stylei =

Number of styles for ith manufacturer

no_style

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.

Figure 6.10

ervtable.dat File
Keywords and Data
PRERV REPLACE

Comments
PROTECTOSEAL

There are two styles.

7800

The first style is 7800.

There are three sizes in this style.

2-IN

1.888

-2

nom_diam act_diam setpoint

3-IN

2.764

-2

nom_diam act_diam setpoint

4-IN

3.598

-2

nom_diam act_diam setpoint

9800

The second style is 9800.

There are two sizes in this style.

2-IN

1.487

nom_diam act_diam setpoint

3-IN

2.263

nom_diam act_diam setpoint

PRERV

REPLACE

GROTH

The second manufacturer is GROTH.

There is one style.

2100

The first style is 2100.

There are three sizes in this style.

16-IN

8.016

nom_diam act_diam setpoint

20-IN

9.944

nom_diam act_diam setpoint

24-IN

12.092

nom_diam act_diam setpoint

System Management
Version 11.1

The first manufacturer is PROTECTOSEAL.

Where:
nom_diam = Nominal diameter
act_diam = Actual diameter in inches
setpoint = Suggested setpoint in psig

6-13

Configuring
Pressure
Relief, Pipe,
and Valve
Equipment
Data

Inlet and Tail Pipe Valves for Pressure


Relief
The Pres-Relief InletPipes and Pres-Relief TailPipes forms also contain a valve
table that you can customize. Although designed for transflo valves, this table
can include any valve that fits into the existing format. The user chooses:
Manufacturer
Style
Nominal diameter
Aspen Plus retrieves these specifications from the table:
Flow area
Flow coefficient (Cv)
Aspen Plus converts the flow coefficient value to a K value:

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.

Figure 6.11

Inlet and Tail Pipe File Organization


PRTRAN REPLACE manuf
no_styles
name_stylei
no_sizes
nom_diamj
nom_diamj+1
.
.
.
name_stylei+1
.
.
.

6-14

port_areaj
port_areaj+1

flow_coeffj
flow_coeffj+1

System Management
Version 11.1

Chapter 6

Where:
manuf

=
name_stylei =
no_styles

Manufacturer type
Number of styles available for manufacturer type
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 =
flow_coeffj =

Port area in square inches for jth size


Flow coefficients for jth size

Figure 6.12 is an abbreviated version of the delivered transflo.dat file. The file
does not include comments.

Figure 6.12

transflo.dat File
Keywords and Data
PRTRAN REPLACE KTM

The manufacturer is KTM.

There are two styles.

BALL-L-PORT

The first style is BALL-L-PORT.

There are three sizes of style BALL-L-PORT.

1.5-IN

2.03583

53.

nom_diam

port_area

flow_coeff

2-IN

3.3556

110.

nom_diam

port_area

flow_coeff

2.5-IN

4.78775

160.

nom_diam

port_area

flow_coeff

BALL-T-PORT

The second style is BALL-T-PORT.

There are four sizes of style BALL-T-PORT.

1.5-IN

2.03583

50.

nom_diam

port_area

flow_coeff

2-IN

3.3556

100.

nom_diam

port_area

flow_coeff

2.5-IN

4.78775

150.

nom_diam

port_area

flow_coeff

3-IN

7.39265

240.

nom_diam

port_area

flow_coeff

System Management
Version 11.1

Comments

Where:
nom_diam = Nominal diameter
port_area = Port area
flow_coeff = Flow coefficients

6-15

Configuring
Pressure
Relief, Pipe,
and Valve
Equipment
Data

Valves for the Valve Model


The Valve Input Valve Parameters sheet contains a table of valves. The user
chooses:
Valve type
Manufacturer
Series/style
Size
Aspen Plus retrieves these specifications from the table:
Valve position
Flow coefficient (Cv)
Pressure drop ratio factor (XT)
Pressure recovery factor (Fl)

6-16

System Management
Version 11.1

Chapter 6

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.

Figure 6.13

Valve File Organization


VALDAT
REPLACE
name_typei
no_manufs
name_manufj
no_series/styles
name_series/stylek
no_sizes
sizel
no_points
Vp1 Cv1 XT1
.
Vpn Cvn XTn
sizel+1
.
name_series/stylek+1
.
name_manufj+1
.
VALDAT
REPLACE
name_typei+1

Fln

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 =
no_sizes
=

System Management
Version 11.1

Fl1

Name of kth series/style


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

6-17

Configuring
Pressure
Relief, Pipe,
and Valve
Equipment
Data

Figure 6.14 is an abbreviated version of the delivered valve.dat file. The file does
not include comments.

Figure 6.14

valve.dat File
Keywords and Data
VALDAT REPLACE

Comments
BALL

The first valve type is BALL

There is one manufacturer

NELES-JAMESBURY

The first manufacturer is NEL:ES-JAMESBURY

There are two series/styles

5000_REDUCED_PORT-FLANGED

The first series/style is 5000_REDUCED_PORT-FLANGED

20

There are 20 sizes of series/style


5000_REDUCED_PORT-FLANGED

0.5-IN

The first size is 0.5-IN

10

There are 10 points

10

0.1

0.91

0.82

Vp Cv XT Fl

20

0.2

0.91

0.82

Vp Cv XT Fl

30

0.4

0.90

0.80

Vp Cv XT Fl

40

0.7

0.88

0.75

Vp Cv XT Fl

50

1.2

0.85

0.67

Vp Cv XT Fl

60

1.9

0.80

0.57

Vp Cv XT Fl

70

2.7

0.74

0.42

Vp Cv XT Fl

80

4.2

0.65

0.28

Vp Cv XT Fl

90

6.3

0.55

0.20

Vp Cv XT Fl

100

9.0

0.48

0.15

Vp Cv XT Fl

0.75-IN

The second size is 0.75-IN

METAL_SEATED_FULL_PORT

The second series/style is METAL_SEATED_FULL_PORT

16

There are 16 sizes of series/style


METAL_SEATED_FULL_PORT

1-IN

The first size is 1-IN

10

There are 10 points

10

0.68

0.91

0.82

Vp Cv XT Fl

20

1.51

0.91

0.82

Vp Cv XT Fl

Vp = Valve position as percent of maximum opening


Cv = Valve flow coefficient
XT = Pressure drop ratio factor
Fl = Pressure recovery factor

continued

6-18

System Management
Version 11.1

Chapter 6

Figure 6.14

valve.dat File (continued)


Keywords and Data
30
2.81
0.90

0.80

Comments
Vp Cv XT Fl

40

4.89

0.88

0.75

Vp Cv XT Fl

50

7.70

0.85

0.67

Vp Cv XT Fl

60

11.5

0.80

0.57

Vp Cv XT Fl

70

17.0

0.74

0.42

Vp Cv XT Fl

80

26.0

0.67

0.30

Vp Cv XT Fl

90

38.0

0.59

0.20

Vp Cv XT Fl

100

52.0

0.51

0.15

Vp Cv XT Fl

1.5-IN
VALDAT

The second size is 1.5-IN


REPLACE

BUTTERFLY

The second valve type is BUTTERFLY

There is one manufacturer

NELES-JAMESBURY

The first manufacturer is NELES-JAMESBURY

There are two series/styles

ANSI_CLASS_150

The first series/style is ANSI_CLASS_150

13

There are 13 sizes of series/style ANSI_CLASS_150

3-IN

The first size is 3-IN

10

There are 10 points

10

12.5

0.76

0.42

Vp Cv XT Fl

20

31.3

0.79

0.42

Vp Cv XT Fl

30

51.0

0.82

0.43

Vp Cv XT Fl

40

75.0

0.83

0.44

Vp Cv XT Fl

50

103.0

0.83

0.45

Vp Cv XT Fl

60

137.0

0.82

0.42

Vp Cv XT Fl

70

174.0

0.80

0.34

Vp Cv XT Fl

80

208.0

0.75

0.25

Vp Cv XT Fl

90

229.0

0.70

0.18

Vp Cv XT Fl

100

235.0

0.65

0.15

Vp Cv XT Fl

4-IN

The second size is 4-IN

Vp = Valve position as percent of maximum opening


Cv = Valve flow coefficient
XT = Pressure drop ratio factor
Fl = Pressure recovery factor

System Management
Version 11.1

6-19

Configuring
Pressure
Relief, Pipe,
and Valve
Equipment
Data

6-20

System Management
Version 11.1

Chapter 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.

System Management
Version 11.1

7-1

Accounting
Report

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.

Generating a User-Based Accounting


Report
This section describes how to generate user-based accounting reports. Under the
terms of your software license agreement, these reports are required if you have
a user-based license for Aspen Plus. To generate other account reports, see
Running the Accounting Program, this chapter.
To generate a user-based accounting report:
1. Log in to an account that is set up for the Aspen Plus environment. See the
Aspen Plus Installation Guide for more information.
2. From the Start menu, select Programs | AspenTech | Aspen
Engineering Suite | Aspen Plus 11.1 | Aspen Plus Simulation Engine.
3. Start the accounting program by entering the following command:
acr

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]:

4. Press Enter to accept the default file name, or type in a name.


5. You are prompted for a RunID. A default name is given in brackets:
Enter the runid [ASPACT]

Press Enter to accept the default, or type in a name.


6. The following prompt appears:
DO YOU WANT A USER-BASED PRICING REPORT? (YES/NO)

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

7-2

System Management
Version 11.1

Chapter 7

Enter the number for the appropriate quarter.


8. The program will generate three tables, one for each month in the quarter.
You will be asked for the last two digits of the year:
ENTER THE YEAR (YYYY):

Enter all four digits of the year.


9. You will be asked if you want the detailed report:
DO YOU WANT THE DETAILED REPORT (ONE LINE FOR EACH RUN MADE)? (YES/NO)

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.

Note

System Management
Version 11.1

If you closed an accounting file during a quarter (see Creating a


New Accounting File, this chapter), you will need to run the
accounting program for both the old and new accounting files to
generate a complete report for the quarter. This might happen,
for example, if you generally close the accounting file at the end of
each quarter, but you miss the end of a quarter by a few days.

7-3

Accounting
Report

Running the Accounting Program


This section describes how to generate account reports other than the user-based
accounting report. To generate a user-based account report, see Generating a
User-Based Accounting Report, this chapter.
To generate an accounting report:
1. Log in to an account that is set up for the Aspen Plus environment.
See the Aspen Plus Installation Guide for the operating system you are using,
for more information.
2. From the Start menu, select Programs | AspenTech | Aspen
Engineering Suite | Aspen Plus 11.1 | Aspen Plus Simulation Engine.
3. Start the accounting program by entering the following command:
acr

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]:

5. Press Enter to accept the default file name, or type in a name.


The system prompts you for a RunID. A default name is given in brackets:
Enter the runid [ASPACT]

6. Press Enter to accept the default, or type in a name.


7. The following prompt appears:
DO YOU WANT A USER-BASED PRICING REPORT? (YES/NO)

Answer no. (To generate a user-based pricing report, see Generating a


User-Based Accounting Report, this chapter.)
8. The system asks you what basis to use for the report:
PLEASE SELECT ONE OF THE FOLLOWING NUMBERS TO REQUEST AN Aspen Plus
USAGE REPORT (OR ENTER 0 TO EXIT):
1
LOGON IDS
2
ACCOUNTS
3
PROJECT-IDS
4
PROJECT-NAMES
5
USER-NAMES
NOTE: THE REPORT PROVIDED TO ASPEN TECHNOLOGY FOR BILLING PURPOSES
MUST BE BASED ON "USER-NAMES". OTHER REPORT TYPES ARE
AVAILABLE FOR YOUR OWN USE IN ANALYZING Aspen Plus
UTILIZATION.

7-4

System Management
Version 11.1

Chapter 7

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.

System Management
Version 11.1

Generated for non user-based reports when Run Statistic Tables and User Report is specified.

7-5

Accounting
Report

Creating a New Accounting File


If the accounting master file takes up too much disk space, you can close the
current file and create a new file. Large accounting files can take longer for the
simulation engine to append information to the file.
To close the current accounting file:
1. Log in to the account that owns the Aspen Plus files.
2. Set up to the Aspen Plus environment. See the Aspen Plus
Installation Guide for your operating system for more information.
3. Change the current directory to the accounting directory. Use the appropriate
command:
Operating System

Command

Windows

CD "C:\Program Files\AspenTech\Aspen Plus 11.1\Engine\XEQ"

Where C:\Program Files\AspenTech\Aspen Plus 11.1 is the drive and directory where Aspen Plus is installed

4. Execute the accounting program. Use the appropriate command for your
operating system:
Operating System

Command

Windows

ACR NEWFILE

5. Save the old file for future reference.

Making Accounting Information Required


For sites with a user-based license, the user name field on the Setup
Specifications Accounting sheet in the user interface is required. Both the
Aspen Plus user interface and simulation engine require this information.
If your site is not user-based but you want to require your users to enter the
information on the Setup Specifications Accounting sheet, you can modify the
Aspen Plus user interface to require this information.
From the Tools menu, select Options to go to the General sheet and check the box
labeled "Accounting information required to complete input?"

7-6

System Management
Version 11.1

Chapter 7

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.

Activating Accounting on Windows


The Aspen Plus accounting file is not written to on a PC running Windows 95,
Windows 98, or Windows NT by default. To enable the accounting program to run
under Windows, you must:
Initialize the accounting file and provide all users with write access to the
accounting file.
Set the accounting environment variable on the simulation engine PC.

Initializing the Accounting File


To initialize the Accounting file, you must use an account that has write access to
the simulation engine directories. Follow these steps:
1. From the Aspen Plus program group, select the Aspen Plus Simulation
Engine icon.
2. Change the directory to the Aspen Plus simulation engine system directory,
as follows:
CD "C:\Program Files\AspenTech\Aspen Plus 11.1\Engine\xeq"

If you installed the simulation engine on a different drive or directory,


substitute the correct location.
3. Run the accounting program to initialize the accounting file:
ACR NEWFILE

An accounting master file (ASPEN.MSF) will be generated in the current


directory.
4. Set the permissions on the accounting master file so that all Aspen Plus users
have write access.
If the simulation engine is on a shared file server and you do not wish to grant
write access to the accounting master file in that directory, you can move the
accounting master file to another directory where users have write access. If you
move the accounting master file, you must change the MSF setting in the system
version of the Aspen Plus Run Definition file (ASPFILES.DEF) to point to the
new location of the accounting master file. See Aspen Plus Run Definition File,
Chapter 2 for more details.

System Management
Version 11.1

7-7

Accounting
Report

Setting the Accounting Environment Variable


Each PC that executes the simulation engine must have the accounting
environment variable set for Aspen Plus usage on that PC to be recorded. If the
simulation engine is installed on a network file server, each client PC must
define the accounting environment variable. If the simulation engine is installed
on a remote Windows NT (Intel or AXP) host, the accounting environment must
be set on the Windows NT host.

Windows 95/98
1. Append the following line to the bottom of the AUTOEXEC.BAT file for all
appropriate PCs:
SET ASPACCT=ON

2. Restart the PC for the settings to become active.

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.

7-8

System Management
Version 11.1

Appendix A

Customizing the Aspen


Plus User Interface
This appendix describes how to customize the Aspen Plus user interface and
create customized Help. Topics include:
MMTBS customization files
Modifying the MMTBS and Help driver files
Running the user interface customization system
Installing the new files
The major steps for customizing the user interface are:
1. Creating the Help source files for the Windows Help system. Several template
files have been provided to assist users in the creation of these source files.
2. Compiling the Help source files using the Microsoft Help Workshop utility
3. Modifying the Aspen Plus MMTBS and Help driver files
4. Installing the customization changes to the user interface

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MMTBS Customization Files


Table A.1 lists the MMTBS customization files.

Table A.1

User Interface Customization Files


File Name

Description

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:

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Appendix A

All

Are stored in

Property methods

ppstoptn.dat

Parameter definitions

pplcdefs.dat

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


listed in Table A.1

Creating In-House Physical Property Models, Routes, and Methods, Chapter 5

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:

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Table A.2

Files Required to Create Help


File

Description

Available from

custom.rtf

Pre-formatted Help source file

C:\Program Files\AspenTech\APrSystem 11.1\GUI\Custom

userdata.rtf

Pre-formatted Help source file (databanks)

C:\Program Files\AspenTech\APrSystem 11.1\GUI\Custom

custom.hpj

Pre-formatted Help project file

C:\Program Files\AspenTech\APrSystem 11.1\GUI\Custom

HCWSETUP.EXE

Self-extracting executable installation file for http://support.microsoft.com


the Microsoft Help Workshop and Help
compiler

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
Download the HCWSETUP.EXE, a self-extracting program that installs the Help
compiler and Microsoft Help Workshop components. You can also use the
following optional file:
File

Description

Available from

custom.cnt

Pre-formatted Help table of contents file

C:\Program Files\AspenTech\APrSystem 11.1\GUI\Custom

The files listed in Table A.2 have been tested and work with Microsoft Word 7.0
and the Microsoft Help Workshop 4.03.

Modifying the Help Source Files


AspenTech provides two Help source files with the formatting needed to create
your own online Help. We also provide a Microsoft Word template (AT_Help.dot)
so your Help will look like an integral part of the Aspen Plus Help system.
Microsoft Word File

For

C:\Program Files\AspenTech\APrSystem 11.1\GUI\Custom\custom.rtf

Authoring Help for property customization

C:\Program Files\AspenTech\APrSystem 11.1\GUI\Custom\userdata.rtf

Authoring Help for databanks you add to Aspen Plus

C:\Program Files\AspenTech\APrSystem 11.1\GUI\Custom\AT_Help.dot

Formatting the Help text

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.

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Appendix A

To modify the Help source files:


1. Open custom.rtf (or userdata.rtf) using Microsoft Word.
2. In place of the Topic1 heading, type the text you want as the heading for your
topic. A topic is a discrete piece of information in the Help system that is
displayed in one Help window.
3. In place of the text in the first topic, type your Help text. You can insert
tables, bulleted lists, and numbered lists.
It is important that you do not change the formatting, styles, or footnote
information associated with this file. The Windows Help compiler relies on
specific formatting information in the .rtf file when building Help. Any changes
can result in compiler errors.
If a Help topic you create will be viewed in a Help popup window, follow these
steps to display the entire text in the popup window:
1. In the .rtf file, select the heading text for the topic (for example, #$>Topic1).
2. From the Format menu, select Paragraph.
3. Click the Text Flow tab.
4. Uncheck the Keep with Next check box.
The Keep with Next attribute forces text associated with it into the title region
(or nonscrolling region) of a Help window. A Help topic with a nonscrolling
region, when appearing in a popup window, will only display the text in the
nonscrolling region. You need to turn off the Keep with Next attribute so that all
the topic text will be displayed in a popup window. After changing the Keep with
Next attribute, you can compile your files.
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: # = + @ * % !

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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.

Assigning Map Numbers to Help Topics


To display a Help topic from Aspen Plus by pressing F1 or using other
context-sensitive methods, you must indicate which Help topic you want
Aspen Plus to display. When you press F1 while a field or button is active,
Aspen Plus looks for the map number associated with that particular Help topic
in the Help file. You must assign a unique map number to each Help topic.
These map numbers are also used by other help systems which provide links to
the custom help. AspenTech programs will link to the help topic with map
number 2. In the unmodified custom help file, this is the topic entitled Topic1.
Note

If you are importing customization made in previous versions into


version 11.1, do not copy your old custom.hpj file over the one
supplied with Aspen Plus. Instead, use Notepad to copy the
contents of the [FILES] and [MAP] sections into the new file.

Follow these steps:


1. In Aspen Plus, specify a map number and Help file name for each field or
button that will have Help. See Modifying the Aspen Plus Help File, this
appendix, for instructions on adding map numbers and Help file names to
Aspen Plus.
2. In the Help project file (custom.hpj), assign the same map number to the Help
topic you want displayed.
The map numbers for a topic in the Help project file (custom.hpj) and
Aspen Plus must be the same for Aspen Plus to recognize and display the
particular topic.
To assign map numbers to topics in the .hpj file, using Microsoft Help Workshop:
1. Open the .hpj file that AspenTech provides (custom.hpj), using Microsoft Help
Workshop.
2. Click the Map button on the right side of the custom.hpj window.
The Map dialog box appears.

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Appendix A

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.

Compiling the Help Source Files


When your Help source files and Help project files are complete, you can compile
your Help project from the Help project file using Microsoft Help Workshop. To
compile your Help project:
1. Open custom.hpj with Microsoft Help Workshop.
2. Click the Save and Compile button in the lower right corner of the custom.hpj
window.
The compiling process produces a Microsoft Windows Help binary file
custom.hlp and a contents file custom.cnt. After you are done compiling and
have fixed any compiler errors:
3. Delete any *.gid files from this directory:
C:\Program Files\AspenTech\APrSystem 11.1\GUI\Custom

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 .

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Modifying the Aspen Plus Help File


Some list boxes in Aspen Plus require that you specify the map number for the
Help topic in a Help (.hxt) file that is part of MMTBS. To display contextsensitive Help (for example, property methods from a drop-down list box), you
must add the following information to the ppstoptn.hxt file:
>h_replace H_PPSTOPTN_WILSON-X
custom.hlp #100
>endmessage

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.

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Appendix A

Example of Prompts for a Property Model


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.

Building a Table of Contents File


The table of contents (TOC) for a Help file is displayed in the Help Topics dialog
box. You can view the Help contents for the Aspen Plus Help by selecting
Contents from the Help menu. This dialog box also appears when you click the
Contents button in any Aspen Plus Help window. Building a table of contents for
your Help is optional. AspenTech provides a sample table of contents file
(custom.cnt) with entries for topics in the custom.rtf and userdata.rtf Help source
files. You can edit the .cnt file using a text editor or Microsoft Help Workshop.
For more information, see Compiling the Help Source files, this appendix.
In the .cnt file, each entry represents a Help topic or a heading that organizes
Help topics (represented by a book icon). To create a heading, type the
appropriate heading text. For a Help topic, type the title text for the topic, as well
as the topic ID. See the Microsoft Help Workshop documentation for details on
building the TOC.

Modifying the MMTBS and Help Driver


Files
The Help driver files are:

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Use this file

To run

To update

tbcustom.dat

MMTBS

The record definition file

tbcustom.hxt

HTM

The Help file (mmg.hms)

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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.

Running the User Interface


Customization System
You need to run the Mmcustom to install your customization changes in the user
interface. Perform these steps:
1. Enter the following command to update the user interface Record Definition
(RecDef) files with your changes:
mmcustom mmtbs

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

If you encounter problems while running Mmcustom, make sure the


mmcustom input files do not contain any typing errors or file format errors.
4. Use Microsoft Help Workshop to create the Windows .hxt files.
5. Test your changes in the user interface.

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Appendix A

Installing the New Files


To install the new RecDef and Help files:
1. Make sure you are in the directory that contains the customized RecDef and
Help files.
2. To copy the modified files into the user interface system directory, enter the
command:
custinst

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.

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Appendix B

TBS File Descriptions


This appendix describes the TBS files required to create in-house physical
property models, routes, and methods (mentioned in Table B.1), including:
Conventional Property Model Definition Table (ppcnvpmd.dat)
Property Parameter Definition Table (*.lcd)
Physical Property Subroutine List Table (ppsublst.dat)
Major and Subordinate Property Routes Table (ppenmprt.dat and
ppensprt.dat)
Physical Property Method Table (ppstoptn.dat)
Each file contains many tables. Each table describes a unique model, route, or
method. TBS files have a fixed format. Each entry must be in its appropriate
column.
To create TBS files in house, follow these steps:
1. Copy similar tables from the system TBS files.
2. Use the table as a template for adding your changes.

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B-1

TBS File
Descriptions

Conventional Property Model Definition


Table
The conventional property model definition table, located in the ppcnvpmd.dat
file, defines every conventional property model in Aspen Plus. Each property
model definition contains:
Property and model name
Model option code default values
Initialization and mainline subroutine names. Define these subroutines in the
Physical Property Subroutine List Table (ppsublst.dat).
Property parameter names. Describe these parameters in the Property
Parameter Definition Table (pplcdefs.dat).
Property monitor computed-go-to index (IDXCGT)
Integer and real work area requirements
Figure B.1 shows the layout for the Conventional Property Model Definition
Table:

Figure B.1

File Layout for the Conventional Property Model Definition Table


1
12345 67890

B-2

1
5

2
0

PPCNVPMD REPLACE

propname

iwaq

n1

opcode

n2

intsub

n3

mnsub

10

n4

11

ppname

2
5

3
5

4
0

4
5

5
0

5
5

6
0

6
5

7
0

7
5

8
0

modelnam

idxcgt

iwal

3
0

mid1 mid2

iwac

rwaq

mid3
rwal

opcode

opcode

opcode

intsub

intsub

intsub

mnsub

mnsub

mnsub

ppname

ppname

ppname

rwac

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Appendix B

Table B.1 describes parameters for this table:

Table B.1

Parameters for the Conventional Property Model Definition Table


Parameter

Description

modelnam

Model name

propname

Property name

idxcgt

Property monitor computed-go-to index

mid1
mid2
mid3

Model implemented derivative codes 1 entered as 4-digit integer values


Model implemented derivative codes 2 entered as 5-digit integer values
Model implemented derivative codes 3 entered as 5-digit integer values

iwaq
iwal
iwac

Integer work area quadratic


Integer work area linear
Integer work area constant

rwaq
rwal
rwac

Real work area quadratic


Real work area linear
Real work area constant

n1
opcode

Number of model option codes. Maximum = 10


Model option codes entered as integer values

n2
intsub

Number of initialization subroutines


Initialization subroutine name

n3
mnsub

Number of mainline subroutines


Mainline subroutine name

n4
ppname

Number of property parameters


Property parameter name

The parameter propname = EOS for mixture equation of state model


The parameter propname = EOS0 for pure-component equation of state model
See Aspen Plus Physical Property Methods and Models, Tables 4.1-4.3, for a list of all other property names.
For in-house equation-of-state models, use values between 51-75. For all other in-house models, use values between 900-999.
Th e mid1 codes are used to provide information regarding implemented pressure and temperature derivatives.
The mid2 codes are used to provide information regarding the mole number composition implemented derivatives. The
mid3 codes are used to provide information regarding the mole fraction composition implemented derivatives.
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.

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B-3

TBS File
Descriptions

Table B.2 describes the layout of the mid1, mid2, and mid3 Model Implemented
Derivative Codes for the Conventional Property Model Definition Table.

Table B.2

Layout and Description of Model Implemented Derivative Codes


MID Layout

Description

mid1 dcba

a = implementation of property.
Options: 0 = not implemented; 1 = implemented
b = implementation of temperature derivatives (dn/dTn).
Options: 0 = not implemented; 1 = d/dT; 2 = d/dT, and d2/dT2; 3 = d/dT, d2/dT2, and d3/dT3
c = implementation of first order pressure derivative (d/dP).
Options: 0 = not implemented; 1 = implemented
d = implementation of composite temperature and pressure derivatives(d[n+1]/dPdTn).
Options: 0 = not implemented; 1 = d2/dPdT; 2 = d2/dPdT, and d3/dPdT2

mid2 kjihg

g = implementation of mole number composition derivative.


Options: 0 = not implemented; 1 = d/dn implemented
h = implementation of mole number composition and first order temperature derivative.
Options: 0 = not implemented; 1 = d2/dndT implemented
i = implementation of mole number composition and first order pressure derivative.
Options: 0 = not implemented; 1 = d2/dndP implemented
j = implementation of mole number composition and second order temperature derivative.
Options: 0 = not implemented; 1 = d3/dndT2 implemented
k = implementation of mole number composition and first order temperature and pressure derivatives.
Options: 0 = not implemented; 1 = d3/dndTdP implemented

mid3 ponml

l = implementation of mole fraction composition derivative.


Options: 0 = not implemented; 1 = d/dx implemented
m = implementation of mole fraction composition and first order temperature derivative.
Options: 0 = not implemented; 1 = d2/dxdT implemented
n = implementation of mole fraction composition and first order pressure derivative.
Options: 0 = not implemented; 1 = d2/dxdP implemented
o = implementation of mole fraction composition and second order temperature derivative.
Options: 0 = not implemented; 1 = d3/dxdT2 implemented
p = implementation of mole fraction composition and first order temperature and pressure derivatives.
Options: 0 = not implemented; 1 = d3/dxdTdP implemented

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Appendix B

Example of a Conventional Property Model Definition Table in the


ppcnvpmd.dat File
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
12345 67890
5
PPCNVPMD REPLACE

2
0

GAMMA

GM07

GM06

10

GMUQR

GMUQQ

11

GMUQQ1

UNIQ

2
5
GMUQUAC

108
0

3
0

3
5

4
0

0021 00011
0

GMUQL

4
5

5
0

5
5

6
0

6
5

7
0

7
5

8
0

00011
6

GMUQAA

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.

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B-5

TBS File
Descriptions

Property Parameter Definition Table


Most property models require model-specific parameters. Aspen Plus stores all
property parameters in property parameter definition files, with the .lcd
extension. For example, the definition for the critical temperature, TC, is stored
in the tc.lcd file.
This section:
Describes the file layout for the Property Parameter Definition Table
Provides examples of property parameter definitions for critical temperature
(TC), the extended Antoine vapor pressure parameter (PLXANT), and the
Wilson binary parameter (WILSON)
Discusses the units conversion formula
Figure B.2 shows the layout for the Property Parameter Definition Table:

Figure B.2

File Layout for the Property Parameter Definition Table


1

B-6

1
1
12345 67890
5
PPLCDEFS REPLACE

2
0

2
5
ppname

3
0

3
5

4
0

4
5

5
0

5
5

6
0

6
5

7
0

7
5

Parameter description

pptype

default value

default value

default value

default value

lower bound

lower bound

lower bound

lower bound

upper bound

upper bound

upper bound

upper bound

nominal value

nominal value

nominal value

nominal value

regression code

regression code

regression code

regression code

10

symmetric code

symmetric code

symmetric code

symmetric code

11

param labal

param label

param label

param label

12

units conv code

units conv code

units conv code

units conv code

13

no units row

14

ur

15

encoded reverse polish units conversion formula

ppinput
j

ur

ur

ppno

dataset
l

n0

8
0

kion

ur

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Appendix B

Table B.3 describes the parameters for the Property Parameter Definition Table:

Table B.3

Parameters for the Property Parameter Definition Table


Parameter

Description

ppname

Property parameter name (limited to six characters)

Parameter description

Short description of parameter (limited to 64 characters)

pptype

Property parameter type:


1 = Unary parameter for conventional components
2 = Binary parameter for conventional components
3 = Unary parameter for nonconventional components
4 = Binary parameters for nonconventional components
5 = Unary parameters for UNIFAC groups
6 = Binary parameters for UNIFAC groups
8 = Pair parameters for electrolyte NRTL model

ppinput

Property parameter input code:


0 = Do not allow user input. Parameter is used only for internal calculations.
1 = Allow input
2 = Allow input. Parameter also available in the user interface binary databank.
3 = Allow input. Parameter available in the user interface binary databank. Can
be estimated by PCES.

dataset

Data set code:


0 = Allow only one data set (one set of values per parameter)
1 = Allow more than one data set

n0

Units conversion subroutine index. No longer used.

kion

Ionic species code:


0 = Ion is allowed
1 = Only ionic species allowed
2 = Ion is not allowed

Number of elements for parameter. For example, PLXANT has nine elements.

Lower and upper bounds code:


0 = Do not supply lower and upper bounds for parameter
1 = Supply lower and upper bounds for parameter

Nominal value code:


0 = Do not supply nominal value for parameter.
1 = Supply nominal value for parameter.

ppno

Property parameter index number:


1-899
Reserved for Aspen Plus built-in parameters
900-1199 Available for user in-house model parameters
1200-1299 Reserved for USER-PROPS parameters
1300Reserved for Aspen Plus built-in parameters

Defaults to zero.

continued

System Management
Version 11.1

B-7

TBS File
Descriptions

Table B.3

B-8

Parameters for the Property Parameter Definition Table (cont.)


Parameter

Description

Regression code:
0 = No regression code. Parameter cannot be regressed.
1 = Supply regression code

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.

System Management
Version 11.1

Appendix B

Table B.4 describes the units rows for all units in Aspen Plus.

Table B.4

Units Available in Aspen Plus


Units Row

Description

Units Row

Description

Area

35

Filter resistance

Composition

36

Specific filter resistance

Density

37

Mole density

Diffusivity

38

Mass density

Energy

39

Mole enthalpy

Enthalpy

40

Mass enthalpy

Entropy

41

Mole entropy

Fiscal

42

Mass entropy

Flow

43

Mole volume

10

Mass flow

44

Dimensionless

11

Mole flow

45

Dipole moment

12

Volume flow

46

Solubility parameter

13

Enthalpy flow

47

Electrical power

14

Force

48

Electric price

15

Mole heat capacity

49

Mass heat capacity

16

Heat transfer coefficients

50

UA

17

Length

51

Moles

18

Mass

52

Work

19

Power

53

Heat

20

Pressure

54

Area-price

21

Surface tension

55

Volume-price

22

Temperature

56

Item-price

23

Thermal conductivity

57

Number concentration

24

Time

58

Mass concentration

25

Velocity

59

Inverse time

26

Viscosity

60

Natural log of inverse time

27

Volume

61

Flux

28

Frequency

62

Area usage

29

Unit-price

63

Volume usage

30

Energy-price

64

Mole concentration

31

Delta-T

65

Power-volume

32

Angle

66

Mass transfer coefficients

33

Head

67

Specific area

34

Bond work index

68

Inverse length
continued

System Management
Version 11.1

B-9

TBS File
Descriptions

Table B.4

Units Available in Aspen Plus (continued)


Units Row

Description

Units Row

Description

69

Chrom velocity

88

Volume enthalpy

70

Mass flux

89 - 99

Reserved for in-house customization

71

Solvent permeability

100

Volume flow / RPM

72

Solute permeability

101

Friction factor

73

Water rate

102

Mass per cycle

74

Pressure drop per height

103

Moles per cycle

75

Pressure drop

104

Volume per cycle

76

Packing factor

105

Enthalpy per cycle

77

Number concentration rate

106

Mass per operation

78

Inverse area

107

Moles per operation

79

Volume heat capacity

108

Volume per operation

80

Heat flux

109

Enthalpy per operation

81

Inverse temperature

110

Density times velocity squared

82

Inverse pressure

111

Sound level

83

Temperature-volume

112

Moment of inertia

84

Vflow-length

113

Voltage

85

Contents

114

Current

86

Population density

115

Mass per volume

87

Inverse heat transfer coefficient

116

Mass per length

Units Conversion Flag


The number of unit conversion flags equals the number of elements:
Flag

Meaning

Units conversion code

Units row from Table B.4

-n

Row number in the Units Conversion Formula section

Used for simple conversions that do not depend on any other element.
For example, -1 means the units conversion formula for this element begins on the first line of the Units Conversion
Formula section, and -5 means the formula begins on the fifth line.

Units Conversion Formula


The following rules apply to the units conversion formula:
Notation is reverse polish (as in Hewlett Packard hand-held calculators).
For example, A*B is represented as A B *. The results of the formula equal
the new value for the element.
You can use more than one line of formula for each element.

B-10

System Management
Version 11.1

Appendix B

Each line is limited to 72 columns.


Blanks separate each operand and variable.

Aspen Plus allows the following operands and variables in the units conversion
formula:
Operand

Description

Example

A...Z

Parameter element identifier in the units


conversion formula

A = 1st element, Z = 26th element,


AA = 27th element

[i]

Units conversion multiplication factor of the ith


units row (see Table B.4.)

[20] = pressure

Special Case [22B]

Addition conversion factor of temperature

273.15 for converting C 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.

System Management
Version 11.1

B-11

TBS File
Descriptions

Example for Units Conversion Formula


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.
You can derive the following elements in the new units:
(new A) = A + ln[20] (C*ln[22])(D*[22B]/[22])
(new B) = B*[22]
(new C) = C
(new D) = D/[22]
(new E) = E*[22] + [22B]
(new F) = F*[22] + [22B]
Where:
[20]
[22]
[22B]

=
=
=

Multiplicative conversion factor for pressure


Multiplicative conversion factor for temperature
Additive conversion factor for temperature

If elements B and C are not zero, Aspen Plus can convert the formula only if it assumes
absolute temperature units (R or K). 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
12345 67890

1
5

2
0

2
5

3
0

3
5

4
0

4
5

5
0

5
5

6
0

6
5

7
0

7
5

8
0

1
2

-1

-2

22

22

20

22

44

-3

44

A [20] LOG + C [22] LOG * - D [22B] [22] / * 1 B ? - 1 C ? -* * - ;

B [22] * ;

D [22] / ;

Lines 2 and 3, above, list the units conversion codes.

B-12

System Management
Version 11.1

Appendix B

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:
(new value) = (old value) * [multiplicative factor] + [additive factor]
To show the sequence of operation, parentheses are added to the conversion formula of
element 1:
(((A ([20] LOG +) (C ([22] LOG *) ) ((D ([22B] [22] /) *) ((1 (B ?) ) (1 (C ?) ) *) *) )
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

System Management
Version 11.1

22

44

B-13

TBS File
Descriptions

Example of Property Parameter Definition for Critical Temperature, TC


TC is a unary parameter (pptype = 1). Only one data set is allowed (dataset = 0). TC has a
lower bound of 5 K, upper bound of 5000 K, and a nominal value of 507.4 K. 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

B-14

1
1
12345 67890
5
PPLCDEFS REPLACE

2
0

2
5

Critical temperature

1D35

5.

5000.

0.5074D3

22

10

11

22

1
1

3
5

4
0

4
5

5
0

5
5

6
0

6
5

7
0

7
5

8
0

TC

3
0

416

System Management
Version 11.1

Appendix B

Example of Property Parameter Definition for the Extended Antoine


Vapor Pressure Parameter, PLXANT
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 K. The upper temperature limit (element 9) defaults to 1000 K. 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 C 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
1
12345 67890
5
PPLCDEFS REPLACE

2
0

2
5
PLXANT

3
0

3
5

4
0

4
5

5
0

5
5

6
0

6
5

Extended Antoineparameters

-1D35

1D3

.893609D2

10

1D3

11

12

100

13

14

-1

-3

-4

-5

15

44

-6

44

22

16

22

17

18

20

1
1

22

1
356

7
0

7
5

8
0

10

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 ^ / ;

System Management
Version 11.1

B-15

TBS File
Descriptions

Example of Property Parameter Definition for the Wilson Binary


Parameter, WILSON
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 K. 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
1
12345 67890
5
PPLCDEFS REPLACE

2
0

2
5
WILSON

3
0

Wilson binary parameters

0D0

0D0

0D0

1D3

60

10

11

aij

12

3
0

3
5

4
0

1
480

4
5

5
0

5
5

6
0

6
5

7
0

7
5

8
0

1
0D0

0D0

100

aji

bij

bji

cij

cji

dij

dji

13

Tlower

Tupper

14

-1

-2

44

-3

15

22

22

16

17

44

22

18 A C [22] LOG * - D [22B] [22] / * 1 B ? - 1 C ? - * * - ;


19 B [22] * ;
20 D [22] / ;

B-16

System Management
Version 11.1

Appendix B

Physical Property Subroutine List Table


Figure B.3 shows the layout for the Physical Property Subroutine List table
contained in the ppsublst.dat file. This table lists the mainline and initialization
subroutines for every property model defined in the conventional property model
definition table (ppcnvpmd.dat). See Conventional Property Model Definition
Table, this chapter. Each subroutine listing contains the subroutine name.

Figure B.3

File Layout for the Physical Property Subroutine List Table


1

1
1
12345 67890
5
PPSUBLST REPLACE

2
0

2
3
5
0
subrname

3
5

4
0

4
5

5
0

5
5

6
0

6
5

7
0

7
5

8
0

2
3

In Figure B.3, subrname is the subroutine name.

Modifying Aspen Plus System Routines


When you add new models to the conventional property model definition table,
you must modify one or more Aspen Plus system Fortran routines.

System Management
Version 11.1

Routine

Requires modification for calling

Filename

ppuser_phcciu

Model initialization routines

phcciu.f

ppuser_mdmon9

Non equation-of-state model mainline subroutines

mdmon9.f

ppuser_esmnu

Mixture equation-of-state model mainline subroutines

esmnu.f

ppuser_esmnu0

Pure component equation-of-state model mainline subroutines

esmnu0.f

B-17

TBS File
Descriptions

Copies of these files are in the user subroutine template directory:


Aspen Plus Host

Windows NT/95

Directory
C:\Program Files\AspenTech\Aspen Plus 11.1\Engine\USER

If you install Aspen Plus on a different disk drive or directory, enter the appropriate drive name and
directory location. The routines are extracted by issuing the user command at the command line prompt of the Aspen Plus
Simulation Engine window.

After modifying any of these routines, you must rebuild the ppuser shared
library. See Chapter 3.

For initialization routines, you must modify the phcciu.f file, as


follows:
1. Define NSUB in the PARAMETER statement to be the actual number of
initialization routines. For example, if you have two initialization routines,
the PARAMETER statement should read:
PARAMETER (NSUB=2)

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

3. Modify the computed GO TO statement to add a unique label for each


initialization routine. The existing GO TO statement is:
GO TO (10), IGOTO

For example, with two initialization routines, the GO TO statement should


read:
GO TO (10, 20), IGOTO

4. For each label defined in step 3, call the initialization routine with the routine
name defined in step 2. For example:
10
20

CALL USRIN1 (MNDS)


GO TO 10000
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.

For mainline subroutines (except for equation-of-state routines),


you must modify the system routine ppuser_mdmon9 (file
mdmon9.f), as follows:
1. Modify the computed GO TO statement to define a unique label for each main
line routine.
GO TO (10, 20, 30), IGOTO

B-18

System Management
Version 11.1

Appendix B

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:
Variable

Type

Dimension

Description

REAL*8

Temperature (K)

PSYS

REAL*8

System pressure (N/m2)

B(P(1))

REAL*8

System or vapor pressure (N/m2). Used for pure component


property.

INTEGER

Number of component present

IDX

INTEGER

Component index vector

REAL*8

Mole fraction vector (liquid or vapor)

KDIAG

INTEGER

Property diagnostic level code

NDS

INTEGER

Data set number

KCMOD

INTEGER

Property calculation code


0 = Do not calculate
1 = Calculate property only
2 = Calculate property derivative only
3 = Calculate both

IB(LBB+9)

INTEGER

10

Model option code

IRW5

INTEGER

Offset for real work array

IIW

INTEGER

Offset for integer work array

The subroutine should return the results, as follows:


Variable

Type

Dimension

Description

REAL*8

Mixture property (SI units)

REAL*8

Pure component or partial property (SI units)

Q(ID11)

REAL*8

Temperature derivative of mixture property (SI units)

Q(ID11)

REAL*8

Temperature derivative of pure component or partial property


(SI units)

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).

System Management
Version 11.1

B-19

TBS File
Descriptions

For equation-of-state subroutines (mainline subroutines for property=EOS and


EOS0), you must modify the system routines ppuser_esmnu and ppuser_esmnu0,
as follows:
1. Modify the computed GO TO statement to define a unique label for each
mainline equation state routine.
GO TO (1010), IDXCGT

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.

B-20

System Management
Version 11.1

Appendix B

2. For each label defined in steps 1 and 2, call the mainline equation-of-state
routine. The following input variables are available:

System Management
Version 11.1

Variable

Type

Dimension

Description

REAL*8

Temperature (K)

REAL*8

System pressure (N/m2)

REAL*8

Mole fraction vector (liquid or vapor)

INTEGER

Number of component present

IDX

INTEGER

Component index vector

IRW1

INTEGER

Offset for real work array

IIW

INTEGER

Offset for integer work array

KVL

INTEGER

Phase code to calculate properties:


1 = Vapor phase properties
2 = Liquid phase properties

NDS

INTEGER

Data set number for parameters of the model

KDIAG

INTEGER

Property diagnostic level code

IB(LBB+9)

INTEGER

10

Model option code

KCALC (1)

INTEGER

Calculation code for fugacity coefficients:


1 = Calculate property only
2 = Calculate temperature derivative of property only
3 = Calculate both

KCALC (2)

INTEGER

Calculation code for the enthalpy departure of a mixture

KCALC (3)

INTEGER

Calculation code for the entropy departure of a mixture

KCALC (4)

INTEGER

Calculation code for the Gibbs energy departure of a mixture

KCALC (5)

INTEGER

Calculation code for the molar volume of a mixture

B-21

TBS File
Descriptions

Results should be returned for the specified phase KVL, as follows:

Variable

Type

Dimension

Description

PHIMX

REAL*8

Vector of logarithms of fugacity coefficients of components in


a mixture

PHIMX (NP1)

REAL*8

Vector of temperature derivative of PHIMX

DHMX(1)

REAL*8

Enthalpy departure of a mixture (J/kgmole)

DHMX (2)

REAL*8

Temperature derivative of DHMX(J/kgmole-K)

DSMX (1)

REAL*8

Entropy departure of a mixture (J/kgmole-K)

DSMX (2)

REAL*8

Temperature derivative of DSMX(J/kgmole-K2)

DGMX (1)

REAL*8

Gibbs energy departure of a mixture (J/kgmole)

DGMX (2)

REAL*8

Temperature derivative of DGMX (J/kgmole)

VMX (1)

REAL*8

Molar volume of a mixture (m3/kgmole)

VMX (2)

REAL*8

Temperature derivative of VMX(m3/kgmole-K)

ZMX(1)

REAL*8

Compressibility factor

ZMX(2)

REAL*8

Temperature derivative of ZMX

CVMX(1)

REAL*8

Constant volume heat capacity (J/kgmole-K)

CVMX(2)

REAL*8

Temperature derivative of CVMX (J/kgmole-K2)

NP1 is available from the argument list of the esmnu and esmnu0 routines.

All of your new routines and the system routines ppuser_phccin,


ppuser_mdmon9, ppuser_esmnu, and ppuser_esmnu0 must be compiled. Leave
the object files in the customization directory. See Chapter 2 for information on
compiling Fortran subroutines and rebuilding system shared libraries.

B-22

System Management
Version 11.1

Appendix B

Major and Subordinate Property Route


Tables
The major property route table is ppenmprt.dat. The subordinate property route
table is ppensprt.dat. These tables list every major and subordinate property
route in Aspen Plus. Each major or subordinate property route listing contains:
Route ID, property keyword, and calculation method code
Number of models used for the route
Model description
Number of major and subordinate property routes used for this route
Description of each referenced route
Calculation option codes for this route
Figure B.4 shows the layout for the Major Property Route table. See Aspen Plus
Physical Property Methods and Models, Chapter 4, for more information about
property routes and calculation methods.

Figure B.4

System Management
Version 11.1

File Layout for Major Property Route Table


1

1
1
12345 67890
5
PPENMPRT REPLACE

propname

n1

mdlprop

n2

m-opcode

n3

majprop

n4

10

subprop

11

n5

12

r-opcode

2
0

2
5
routeid

3
0

3
5

4
0

4
5

5
0

5
5

6
0

6
5

7
0

7
5

8
0

method

model

setno

monitor

m-opcode

m-opcode

m-opcode

m-opcode

m-opcode

majprop

majprop

majprop

majprop

majprop

subprop

subprop

subprop

subprop

subprop

r-opcode

r-opcode

r-opcode

r-opcode

r-opcode

B-23

TBS File
Descriptions

Table B.5 describes parameters for Figure B.4:

Table B.5

Parameters for the Major Property Route Table


Parameter

Description

routeid

Property route ID

propname

Property name for this route

method

Property method code

n1

Number of property models required for this route

mdlprop

Property calculated by the model

model

Model name

setno

Data set number

monitor

Model monitor computed-go-to index

n2

Number of option codes for the model

m-opcode

Model option code value

n3

Number of major properties required for this route

majprop

Major property name

majroute

Major property route ID

n4

Number of subordinate properties required for this route

subprop

Subordinate property name

subroute

Subordinate property route ID

n5

Number of route option codes for this route

r-opcode

Route option code value

B-24

See Aspen Plus Physical Property Methods and Models, Chapter 4.


Where:
propname = EOS for mixture equation of state model
propname = EOS0 for pure-component equation of state model
See Aspen Plus Physical Property Methods and Models, Tables 4.1-4.3, for a list of all other property names.
Obtained from property model definition. See Table B.1.

System Management
Version 11.1

Appendix B

Figure B.5 shows the layout for the Subordinate Property Route table:

Figure B.5

System Management
Version 11.1

File Layout for Subordinate Property Route Table


1

1
1
12345 67890
5
PPENSPRT REPLACE

propname

n1

mdlprop

n2

m-opcode

n3

majprop

n4

10

subprop

11

n5

12

r-opcode

2
0

2
5
routeid

3
0

3
5

4
0

4
5

5
0

5
5

6
0

6
5

7
0

7
5

8
0

method

model

setno

monitor

m-opcode

m-opcode

m-opcode

m-opcode

m-opcode

majprop

majprop

majprop

majprop

majprop

subprop

subprop

subprop

subprop

subprop

r-opcode

r-opcode

r-opcode

r-opcode

r-opcode

B-25

TBS File
Descriptions

Table B.6 describes parameters for this table:

Table B.6

Parameters for the Subordinate Property Route Table


Parameter

Description

routeid

Property route ID

propname

Property name for this route

method

Property method code

n1

Number of property models required for this route

mdlprop

Property calculated by the model

model

Model name

setno

Data set number

monitor

Model monitor computed-go-to index

n2

Number of option codes for the model

m-opcode

Model option code value

n3

Number of major properties required for this route

majprop

Major property name

majroute

Major property route ID

n4

Number of subordinate properties required for this route

subprop

Subordinate property name

subroute

Subordinate property route ID

n5

Number of route option codes for this route

r-opcode

Route option code value

B-26

See Aspen Plus Physical Property Methods and Models, Chapter 4.


Where:
propname = EOS for mixture equation-of-state model
propname = EOS0 for pure-component equation-of-state model
See Aspen Plus Physical Property Methods and Models, Tables 4.1-4.3, for a list of all other property names.
Obtained from property model definition. See Table B.1.

System Management
Version 11.1

Appendix B

Example of an Encoded Major Property Route Table in the ppenmprt.dat


File
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

A subordinate property route (HNRY01)

Noncondensable components in each solvent (subprop=HNRY)

A mixing model (model=WHENRY)

Each noncondensable component in the mixture from property HNRY

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

System Management
Version 11.1

1
1
12345 67890
5
PPENMPRT REPLACE

PHILMX

GAMMA

WHNRY

10

PHIL

11

12

HNRY

13

14

2
0

2
3
5
0
PHILMX24

3
5

4
0

4
5

5
0

5
5

6
0

6
5

7
0

7
5

8
0

GMRENON

107

WHENRY

203

PHIL04

HNRY01

B-27

TBS File
Descriptions

Example of an Encoded Subordinate Property Route Table in the


ppensprt.dat File
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

B-28

1
1
12345 67890
5
PPENSPRT REPLACE

DHL

PL

DHVL

10

DHV

11

2
0

2
5
DHL00

3
0

3
5

4
0

4
5

5
0

5
5

6
0

6
5

7
0

7
5

8
0

PL0XANT

101

DHVLWTSN

123

DHV00

DHLPC

DHLPC00

System Management
Version 11.1

Appendix B

Physical Property Method Table


Aspen Plus stores physical property methods in separate files. Each file has the
.sto extension. For example, the definition for the Wilson property method is
stored in the wilson.sto file. Each property method definition contains:
A property method ID
The number of major properties defined in the property method
Major property name for each major property
Major property route ID for each major property
The major property routes are defined in the Major Property Route Table
(ppenmprt.dat). See also Figure B.4.
Figure B.6 shows the layout for the Standard Physical Property Method Table.

Figure B.6

File Layout for the Standard Physical Property Method Table


1

1
1
12345 67890
5
PPSTOPTN REPLACE

2
0

2
5
opsetid

3
0

3
5

4
0

4
5

5
0

5
5

6
0

6
5

7
0

propname

routeid

propname

routeid

propname

routeid

propname

routeid

propname

routeid

propname

routeid

propname

routeid

propname

routeid

propname

routeid

propname

routeid

propname

routeid

propname

routeid

7
5

8
0

Table B.7 describes parameters for the table in Figure B.6:

Table B.7

System Management
Version 11.1

Parameters for the Physical Property Method Table


Parameter

Description

opsetid

Property method ID

Number of major properties in this property method

propname

Major property name

routeid

Major property route ID

B-29

TBS File
Descriptions

Example of Physical Property Method File NRTL.STO


1

1
1
12345 67890
5
PPSTOPTN REPLACE

2
0

2
5
NRTL

3
0

4
0

4
5

5
0

5
5

6
0

6
5

7
0

34

PHIMVX

PHIVMX00

PHILMX

PHILMX86

HVMX

HVMX00

HLMX

HLMX86

GVMX

GVMX00

GLMX

GLMX86

SVMX

SVMX00

SLMX

SLMX86

VVMX

VVMX00

VLMX

VLMX01

MUVMX

MUVMX01

MULMX

MULMX01

KVMX

KVMX01

KLMX

KLMX01

DVMX

DVMX01

DLMX

DLMX02

SIGLMX

SIGLMX01

PHIV

PHIV00

PHIL

PHIL00

HV

HV00

HL

HL00

10

GV

GV00

GL

GL00

SV

SV00

11

SL

SL00

VV

VV00

VL

VL01

12

MUV

MUV01

MUL

MUL01

KV

KV01

13

KL

KL01

DV

DV01

DL

DL01

14

SIGL

SIGL01

B-30

3
5

7
5

8
0

System Management
Version 11.1

B
Binary databanks
adding 4-10
creating input files 4-10
Building a Help table-of-contents file A-9
Building system shared libraries 3-7

Index
A
Accounting
program 7-4
report 7-1
report, user-based 7-2
required information 7-6
Accounting environment variable
setting 7-8
Accounting file
creating 7-6
initializing 7-7
Accounting program
activating 7-8
Adding Help
for databanks 4-7
Aspen Plus
COMMONs renamed 1-8
customizing simulation engine 5-2
customizing user interface 5-6
debugging 3-5
Help files, modifying A-8
INCLUDE files 1-8
in-house modifications 3-3
introduction 2-2
maintaining and updating 3-1
modification levels 3-2
routine names 1-9
run definition file 2-6
system modifications 3-3
table building system, running 3-12, 5-5
units rows available B-9
user modifications 3-2
utilities 2-9
Assigning map numbers A-6

System Management
Version 11.1

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
user interface initialization files 1-4
Compiling Help source files A-7
Compiling user routines 3-4
Configuring
physical property databanks 4-1
physical property methods 5-1
Converting
TBS input files 3-17
user routines 3-9
Converting Fortran
COMMONs renamed 1-8
INCLUDE files 1-8
inline 1-8
routine names 1-9
subroutines 1-8
Creating
custom SDF files 3-9
databank input files 4-4
databanks 4-2
Help files A-3
physical property models, routes, methods B-1
user interface input files 4-10
Customization files
MMTBS A-2
Customization system for user interface
running A-10
Customizing
Aspen Plus simulation engine 5-2
Aspen Plus user interface 5-6
Help source files A-4

D
Databanks
adding binary 4-10

adding Help for 4-7


adding in-house 4-1
adding pair parameter 4-10
adding user 4-1
creating 4-2
installing 4-8
physical property, configuring 4-1
rebuilding 1-2
running MMTBS to add 4-7
Debugging
Aspen Plus 3-5
user routines on Windows 3-5

E
Electrolyte reaction database
adding ionic reactions 4-17
Emergency relief vents 6-12

F
Files
MMTBS customization A-2
simulation run 2-5
Format
prompts A-8
Fortran
converting subroutines 1-8
inline, debugging 3-5
modifying source code 3-9

G
Gas/2-phase service safety relief valves 6-5

H
Help driver files
modifying A-9
Help files
adding for databanks 4-7
adding for models, routes, property methods 5-12
creating A-3
customizing A-4
modifying Aspen Plus A-8
Help source files
compiling A-7
modifying A-4

I
In-house databanks
adding 4-1
In-house models and subroutines
integrating 3-8
Initialization files 1-4
Inlet pipe valves 6-14
Inline Fortran 3-4
converting 1-8
Input file
binary databanks, creating 4-10
header templates 4-14
ionic reactions database, creating 4-18
pair parameter databanks, creating 4-10
Installing
databanks 4-8
Help files A-11
RECDEF files A-11
system definition files 5-5
Ionic reactions
adding to electrolyte reaction database 4-17
creating input file 4-18

L
Liquid service safety relief valves 6-2
Load modules 1-4

M
Maintaining and updating Aspen Plus 3-1
Maintaining upward compatibility 1-4
Major property route table B-23
parameters B-24
Map numbers
assigning to Help topics A-6
MMTBS
customization files A-2
running 4-7, 4-16, 4-20
MMTBS driver file
modifying 4-7, 4-16, 4-19, A-9
Models
adding to simulation engine 5-7
adding to user interface 5-11
Modifying
Aspen Plus 3-2
Aspen Plus Help files A-8
Help driver files A-9
Help source files A-4

System Management
Version 11.1

in-house files 3-3


MMTBS driver files 4-7, 4-16, 4-19, A-9
system files 3-3
user files 3-2

N
NRTL binary parameters 4-15

P
Pair parameter databanks
adding 4-10
creating input files 4-10
Physical property databanks
configuring 4-1
Physical property method table B-29
parameters B-29
Physical property methods
configuring 5-1
Physical property models, routes, methods
creating 5-6
Physical property subroutine list table B-17
Pipes
pressure relief 6-10
valves 6-14
Pressure relief
configuring equipment data 6-1
pipes 6-10
rupture disks 6-8
Prompts
adding for models, routes, property methods 5-12
format A-8
Property methods
adding to simulation engine 5-7
adding to user interface 5-11
example of file NRTL.STO B-30
Property model definition table B-2
Property parameter definition table B-6
parameters B-7
Property route tables
major B-23, B-27
subordinate B-25, B-28

R
Relief valves
gas/2-phase service safety 6-5
Reports
accounting 7-1

System Management
Version 11.1

Routes
adding to simulation engine 5-7
adding to user interface 5-11
Routines
user 3-4
Running
accounting program 7-4
MMTBS 4-7, 4-16, 4-20
Rupture disks 6-8

S
Scalar parameters 4-16
SDF files
creating custom 3-9
Simulation engine
adding models, routes, property methods 5-7
command line qualifiers 2-9
processes for running 2-2
system files 2-4
Simulation run files 2-5
Standard physical property method table B-29
Subordinate property route table B-25
parameters B-26
System configuration 2-1
System definition files 1-3, 3-13
installing 5-5
running report system 3-10
updating 3-15
System files
simulation engine 2-4
user interface 2-4
System overview 2-1
System shared libraries
building 3-7
Windows 3-7

T
Table building system
converting files 3-17
customization files 5-3, B-1
file descriptions B-1
file types 3-15
files, creating from customization files 5-4, B-1
program 3-14
running 3-12, 5-5
system definition files 3-13
updating system definition files 3-15
Table-of-contents file for Help
building A-9

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

System Management
Version 11.1

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