Introduction Aspen Adsorption

ES288
Introduction to Aspen
Adsorption
AspenTech Customer Education

Training Manual
Course Number ES288.071.07

aspenONE V7.0 Product Name Changes
Product Name Changes in aspenONE™ V7
With the release of aspenONE V7 in September, 2008, AspenTech has renamed several
of its Process Engineering products to make them more descriptive.
The new names reflect the function/role that product performs as part of the overall
Aspen Engineering solution.
The materials for this course will be revised to reflect the name changes as well as other
enhancements available with aspenONE V7. Please note that for this specific course
manual the preV7 product names are used throughout, except for the title.
To help you with the transition to the new names, we’ve provided a reference table on the
following page that shows the original product name and its corresponding new name for
V7.
Ó2009 AspenTech. All rights reserved. i Aspen Technology, Inc.
With the release of aspenONE™ V7.0, AspenTech has renamed
many of its Process Engineering products. Use this chart to see
the new name and corresponding installation requirements.
Product Name Product Name V7.0 Install Mapping Required Install

V2006.5 and Earlier (What to Install) Option Selection
Aspen Acol+™ Aspen Air Cooled Exchanger Exchanger Design
and Rating
Aspen Adsim® Aspen Adsorption Process Modeling Advanced Simulation
(Aspen Plus®) Options
Aspen Batch Plus® Aspen Batch Process Developer Process Development
AspenTech Product Name and Installation Guide

Aspen BatchSep™ Aspen Batch Distillation Process Development Advanced Modeling
or Process Modeling Options or Advanced
(Aspen Plus) Simulation Options
Aspen CatRef® Aspen Plus® Reformer Aspen Plus Based
Refinery Reactors
Aspen Chromatography® Aspen Chromatography® Process Development Advanced Modeling
Options
Aspen COMThermo® Aspen HYSYS® Thermodynamics Process Modeling Energy and Flare
COM Interface (HYSYS) Analysis
Aspen Custom Modeler® Aspen Custom Modeler® Process Modeling Advanced Simulation
(HYSYS) or Process Options
Modeling (Aspen Plus)
Aspen Dynamics® Aspen Plus® Dynamics Process Modeling Advanced Simulation
(Aspen Plus) Options
Aspen FCC® Aspen Plus® CatCracker Aspen Plus Based
Refinery Reactors
Aspen FiredHeater™ Aspen Fired Heater Exchanger Design
and Rating
Aspen FLARENET™ Aspen Flare System Analyzer Process Modeling Energy and Flare
(HYSYS) or Process Analysis
Aspen HTFS Aspen HTFS Exchanger Design
Research Network™ Research Network™ and Rating
Aspen HX-Net® Aspen Energy Analyzer Process Modeling Energy and Flare
(HYSYS) or Process Analysis
Aspen Hydrocracker® Aspen Plus® Hydrocracker Aspen Plus Based
Refinery Reactors
Aspen Hydrotreater™ Aspen Plus® Hydrotreater Aspen Plus Based
Refinery Reactors
Aspen HYSYS® Aspen HYSYS® Process Modeling
(HYSYS)
Aspen HYSYS Amines™ Aspen HYSYS Amines™ Process Modeling
(HYSYS)
Aspen HYSYS Crude™ Aspen HYSYS Crude™ Process Modeling
(HYSYS)
Aspen HYSYS Dynamics™ Aspen HYSYS Dynamics™ Process Modeling
(HYSYS)
Aspen HYSYS OLGAS™ Aspen HYSYS® Pipeline Process Modeling
Hydraulics - OLGAS 2-Phase (HYSYS)
Aspen HYSYS Aspen HYSYS® Pipeline Process Modeling
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Aspen HYSYS PIPESYS™ Aspen HYSYS® Pipeline Process Modeling
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Aspen HYSYS RTO™ Offline Aspen HYSYS® Offline Optimizer Process Modeling
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Aspen HYSYS Upstream Aspen HYSYS Upstream Process Modeling
Dynamics™ Dynamics™ (HYSYS)
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Aspen Kbase® Aspen Capital Cost Estimator Economic Evaluation
For more information, contact your regional AspenTech Support Center

at http://support.aspentech.com/contacts.
Product Name Product Name V7.0 Install Mapping Required Install
V2006.5 and Earlier (What to Install) Option Selection
Aspen MPIMS™ Aspen MPIMS™ Aspen PIMS™
Aspen Model Runner™ Aspen Model Runner™ Process Modeling Advanced Simulation
Aspen MUSE™ Aspen MUSE™
Aspen OnLine® Aspen OnLine®
AspenTech Product Name and Installation Guide

Aspen Online Deployment™ Aspen Online Deployment™ Operations Support Aspen Online
Deployment
Aspen PIMS™ Aspen PIMS™ Aspen PIMS
Aspen PIMS Advanced Aspen PIMS Advanced Aspen PIMS
Optimization™ Optimization™
Aspen PIMS Submodel Aspen PIMS Submodel Aspen PIMS
Calculator™ Calculator™
Aspen Plate+™ Aspen Plate Exchanger Exchanger Design
and Rating
Aspen Plus® Aspen Plus® Process Modeling
(Aspen Plus)
Aspen Plus EO Aspen Plus EO Process Modeling Advanced Simulation
Model Library™ Model Library™ (HYSYS) Options
Aspen Plus Optimizer™ Aspen Plus Optimizer™ Process Modeling Advanced Simulation
(HYSYS) or Options
Process Modeling
(Aspen Plus)
Aspen Polymers Plus® Aspen Polymers Process Modeling
(Aspen Plus)
Aspen Process Manual™ Aspen Process Manual™ Process Development
(Server Installation only)
Aspen Process Tools™ Aspen Process Tools™ Process Development Advanced Modeling
Options
Aspen Properties® Aspen Properties® Process Modeling
(Aspen Plus)
Aspen RateSep™ Aspen Rate-Based Distillation Process Modeling
(Aspen Plus)
Aspen RefSYS™ Aspen HYSYS® Process Modeling
Petroleum Refining (HYSYS)
Aspen RefSYS Aspen HYSYS® CatCracker Process Modeling Advanced Simulation
Catcracker™ (HYSYS) Options
Aspen RefSYS Aspen HYSYS® Process Modeling Advanced Simulation
Hydrocracker™ Hydrocracker (HYSYS) Options
Aspen RefSYS Reformer™ Aspen HYSYS® Reformer Process Modeling Advanced Simulation
(HYSYS) Options
Aspen Simulation Aspen Simulation Workbook™ Operations Support or Aspen Simulation
Workbook™ Process Modeling Workbook™
(HYSYS) or
Process Modeling
(Aspen Plus)
Aspen Split™ Aspen Distillation Synthesis Process Modeling
(Aspen Plus)
Aspen Tasc+™ Aspen Shell & Tube Exchanger Exchanger Design
and Rating
Aspen Teams® Aspen Shell & Tube Mechanical Exchanger Design
and Rating
Aspen Utilities Aspen Utilities On-Line Process Modeling Advanced Simulation
Operations™ Optimizer* (Aspen Plus) Options
Aspen Utilities Planner™ Aspen Utilities Planner™ Process Modeling Advanced Simulation
Aspen Zyqad™ Aspen Basic Engineering Aspen Basic Engineering
New Capability Available through Install Mapping Required Install
which Product (What to Install) Option Selection
Aspen OTS Framework Aspen HYSYS Dynamics™ Operations Support Aspen OTS Framework
Aspen Process Engineering Aspen HYSYS and Aspen Plus Process Modeling Advanced Simulation
Console (HYSYS) or Process Options
Aspen Reaction Modeler Aspen Batch Distillation Process Development Advanced Modeling
or Process Modeling Options or Advanced
(Aspen Plus) Simulation Options
Aspen Solubility Modeler Aspen Properties® Process Development
*Requires users to install Aspen OnLine
© 2008 Aspen Technology, Inc. AspenTech®, aspenONE™, and the Aspen leaf logo are trademarks or registered trademarks
of Aspen Technology, Inc. All rights reserved. 1549-01-0808
Introduction to Aspen Adsorption Contents
Contents
Lesson Page
Introduction Introduction – 1
Graphical User Interface Basics 1–1
Physical Properties 2–1
Introduction to the Heritage Gas Model Library 3–1
The Simple Flowsheet 4–1
The Intermediate Flowsheet 5–1
Full Cyclic Flowsheets 6–1
Defining Custom Isotherms 7–1
Cyclic Steady State Models 8–1
Parameter Estimation 9–1
Diagnostic And Solution Methods 10 – 1
2010 AspenTech. All Rights Reserved. i Aspen Technology, Inc.

Introduction to Aspen Adsorption Introduction
Introduction to Aspen Adsorption®
Course Number: ES288.071.07
©2010 AspenTech. All Rights Reserved.
Course Objectives
• Develop familiarity with the Aspen Adsorption application in order to

access and navigate within the graphical user interface.
• Identify and explain:
– Modeling conventions used
– Underlying modeling assumptions
• Demonstrate how to use the Adsorption Gas model library for:

– Parameter estimation
– Simple non-interacting process
– Complex cyclically operated processes
• Apply acquired knowledge through hands-on workshops
©2010 AspenTech. All Rights Reserved. Slide 2
©2010 AspenTech. All Rights Reserved. Page 1 Aspen Technology, Inc.

Aspen Adsorption is…
• An equation-oriented flowsheet simulation system for:

– Gas phase adsorption processes
– Ion exchange applications
– Liquid phase adsorption systems
• Typically used for:

– Pressure/Temperature/Vacuum Swing Adsorption
– Air separation/drying
– Natural gas processing
– Hydrogen purification
– Environmental applications such as VOC and odor control
• Its ultimate aim is to improve design and reduce capital and

operating costs of processes
Aspen Adsorption is…
• Based on Aspen Custom Modeler Technology

• Common look and feel with other AspenTech products
– Aspen Custom Modeler
– Aspen Plus Dynamics
– Aspen Chromatography
– Aspen Batch Distillation
• Client-Server application
– Graphical User Interface – Client
– Solver engine – Server
• Simple equation orientated modeling language

Course Agenda - Day 1
• Graphical User Interface Basics

• Component Lists and Physical Properties
• Introduction to the Heritage Gas Model Library
• Creating Simple Flowsheets using Heritage
Models
Course Agenda – Day 2
• Creating Intermediate Flowsheets using

Heritage Models
• Full Cyclic Flowsheets using Heritage Models
• Defining User Isotherms using Heritage Models

Course Agenda – Day 3
• Introduction to the Cyclic Steady State Model

Library
• Parameter Estimation
• General Hints/Tips and Questions
Class Structure
• Philosophy is to learn by doing

– Brief introduction to each module with demos as required
– Learning by doing workshops and asking questions as you

encounter problems rather than from me talking to the entire
class
– No matter how you build the workshops, by using the
Process Overview or by following the step-by-step
instructions, try to answer the questions posed throughout
the module
– Discussions and requests for demonstrations welcome at
any time

Contact Information (NALA)
Phone: 888-996-7100
Email: support@aspentech.com
training.registration@aspentech.com
Internet: http://support.aspentech.com
• Technical Support Hotline

• Training
• Customized Support Services
Contact Information (EMEA)
Phone: 0800 376 7903 (UK Only)

+44 (0) 118 922 6555

• Training

Contact Information (APAC)
Phone: 65 6395 3942


• Training

Introduction to Aspen Adsorption Graphical User Interface
Part 1 – Graphical User Interface

Basics
Introduction to Aspen Adsorption
Objectives
• Learn to access and navigate the Aspen

Adsorption graphical user interface
• Build flowsheets to simulate typical processes
• Create plots and tables to analyze simulation
results
• Complete the workshop to gain familiarity with
the process of building a simple flowsheet

The Initial Screen
Online Help
• From the Help menu, online

help is available on all aspects
on the use of the application
• Like any other Windows based
application help is available by:
– Browsing
– Indexed words
– Searched words

The Demonstration Organizer (1)
• Simulation examples can be

accessed through the
Demonstration Organizer
• To open the Demonstration
Organizer, from the File menu
select “Demonstrations…”
The Demonstration Organizer (2)
• The Demonstration Organizer lists

all available examples supplied
with the installation
• A variety of examples supplied
covering PSA, TSA, VSA, simple
and full flowsheets
• To open a specific example:
– Select the example from the top
window (a brief description is
given in the lower window)
– Press the Open button
• Confirmation dialogs will appear
notifying you of the location where files
will be copied to and opened from

What is on the Screen?
• Terminology used for the key screen elements:

Toolbar
Menu
Flowsheet
Window
Simulation
Explorer
Window
Simulation
Status Bar Messages
Window
The Menu Bar
• The menu bar provides access to common functions:

Open, Windows, Find,
Save, Zoom, Properties,
etc... Forms, Tile,
Import,
etc... Cascade,
Print,
Arrange,
etc...
etc..
Insert, Contents,
Snapshots,
Delete, About
Use,
Rename, Mode,
Plot,
etc... Run,
Table,
Pause,
Estimation,
Options,
Cycle Organizer,
etc...
etc...

The Toolbar
• The toolbar provides access to common functions:

File and Results Display
Print Run Options
Time/Axial Plots, Tables
Mode, Run, Step, Pause,
Communication Interval,
Solver Options
Tools
Flowsheet Appearance
• Not all of the toolbar elements may be visible

• Check the appropriate options in the View menu Toolbars option
The Flowsheet Window (1)
• The Flowsheet window is the area where a flowsheet is

created and specific model information accessed
Ruler Stream label
Gridlines
Stream Block label
Block
(model instance)
Hatches Indicate
Flowsheet Locked
To Changes

• Right-clicking a previously selected Block or Stream will

bring up a context sensitive menu
• The context sensitive menu may contain:
– Access to built-in forms/plots/tables
– Rename
– Delete
– Change Icon
– Properties
– etc...
• Flowsheets are assembled using Drag and Drop

• Connect blocks by using the in-built connection streams
• Multiple connections to one connection point on certain models
• Reposition ports
around the icon by
dragging
• Blue arrows
appear on the
blocks where
valid unconnected Free port
Connection
ports are
Being
available Made

• Further features that can be accessed from the flowsheet

window are:
– Moving and deleting blocks
– Rotation and exchange of icons
– Unhooking and reconnecting streams
– Launching the Variable Find
– Pushing flowsheet to the background
The Messages Window
• Displays all messages with respect to loading an input

file, compiling types, checking specification and all the
normal diagnostic output from the solvers during the
solution process
• From the context sensitive menu:

– Copy the output text to the clipboard
– Change the print level and output destination
– Clear the contents

The Status Bar (1)
• Provides an indication of:
Current Simulation Mode

or
GUI Current Simulation Time
Status
Location of
Simulation Simulation
Engine Engine
Status
Specification
Status
The Status Bar (2)
• Automatic specification checks as the simulation is being

prepared
• A specification indicator on the status bar:
– A Green box – number of degrees of freedom are satisfied
– A Red triangle – fixed specifications either under/over-specified
– A Green box with Red triangle inlaid – initial specifications
either under/over specified
– A Green box with Red cross inlaid – the legality is incorrect
– A Spanner/Wrench – flowsheet empty and specification status
cannot yet be determined

The Status Bar (3)
• Double-clicking the specification indicator brings up the Status

Window
• Launch the Variable Find with predefined options

• Check for structural singularities
• Create flowsheet script of the specification changes
The Status Bar (4)
• Clicking the “Analyze” button will open the Specification Analysis tool
• Used to troubleshoot incorrect specifications

• Rarely used as Aspen Adsorption models are self configuring

The Simulation Explorer Window (1)
• Access to any part of the current

problem, for example:
– Library
– Flowsheet
– Models
– Options
• Identical options to Windows

Explorer
– Large icons for building flowsheets
– Details to see useful information
– Sort by clicking column headings
• Provides instant access to Types

– Types are the main components of a simulation, such as
models, parameters, ports, procedures, streams, tasks, and
variables
– Types are defined in either the language or built graphically
• Provides fast access to tools like editors by double-

clicking the various Types
– The Text Editor provides colour highlighting
• Commented out text appears in green
• Keywords are in blue
• String text is in magenta

• The main elements are:

– Component Lists
• Used to define components in flowsheet and
links to physical properties
– Flowsheet
• Browse blocks and streams
– Globals
• Access to global parameters
– Libraries
• Application model library
– Simulation Options
• Runtime and solver options
• Snapshot manager
– Analysis Tools
• Estimation and optimization tools
– UOM Sets
• Flowsheet wide units of measurement
– Interfacing
• Connections to external devices
The Adsim Model Library
• The key parts of the Adsim

library are:
– The Model folders
• Gas – Models for simulating gas
processes (two modeling
approaches available)
• Liquid – Models for simulating
general liquid processes
• IonX – Models for simulating ion
exchange processes
• Controllers – Model for process
control
– The Stream Types folder
• Contains model interconnections
• IMPORTANT: Use the stream
type that matches the type of
models that are to be connected

Solver Options
• The Solver Options are accessible

from the Run menu, Toolbar, or
Simulation Explorer
• Options available for:
– Diagnostics
– Tolerances
– Tearing
– Integrator
– Linear solver
– Non-linear solver
– Estimator
– Optimizer
– Homotopy
The Variable Finder
• Variable Find is used to find and list the variables within the
simulation
• Easy way of generating scripts and customized tables
• Accessed from the main
menu, a context sensitive
menu, or the main toolbar
• Searches can be made
using:
– Wildcards
– Variables types
– Specification
– Block

Running Simulations – Run Control

Rewind
Pause
• You can start and control runs using
the Run toolbar: Run
– Run
– Step one interval Run Mode
– Pause Step
– Restart Restart
– Rewind
– Reset
the Run menu:

– Pause simulation at a certain time
– Interrupt the simulation
– Change time settings of the simulation
Running Simulations – Snapshots (1)
• Snapshots are a collection of

values of all the variables in the
model at a given time point
• If specified, all run-time snapshots
are saved automatically and are
directly available to be used to
start another simulation
• New snapshots can be created
and viewed
• Able to control the snapshot
frequency
• Control how snapshots are saved
in the input file
• Allow values of calculated
variables to be saved in the input
file

Running Simulations – Snapshots (2)
• Snapshots can be used by

matching against variable
and/or specification
• For selective copying from a
snapshot use Advanced Copy.
Able to copy based on
specification, wildcard, and if
the value is a structural
parameter
• A simulation can be made to
start from a previously saved
snapshot
Running Simulations – Rewind
• Rewind operates by enabling the user to select a

previously saved snapshot
• If no snapshots are available, rewind is not operable

Running Simulations – Results
• Default results table provided for each flowsheet block

• Able to create custom time or axial plots
Nitrogen kmol/kmol Time: 1192.500000
Oxygen kmol/kmol Time: 1192.500000

Product_Comp Axial_Conc
P1.Y_Fwd("Nitrogen") kmol/kmol
0.05 0.1 0.15 0.2 0.25
0.2
P1.Y_Fwd("Oxygen") kmol/kmol
1
0.75 0.8 0.85 0.9 0.95 1
0.95
0.15
Nitrogen
Oxygen
0.9
0.1
0.85
0.05
0.8
0 250 500 750 1000 1250 0 0.05 0.1 0.15 0.2 0.25 0.3 0.35
Tim e Sec onds Pos ition m
• Build custom tables
• Access results through Automation

Running Simulations – Time Series

Plots (1)
• To create Flowsheet time series plots
– Select New Plot under the Tools Menu, or click Add Plot on the
toolbar
– Drag and drop variables to the y-axis from:
• Variable Tables
• List of variables created using Variable Find
• You can change the properties of a plot by double-clicking in the plot

to obtain Plot Control Properties

Running Simulations – Time Series

Plots (2)
• To obtain the numerical values of

the plot data to export into Excel.
For example:
– Right-click the open time series
plot and select Show as History
– A History Table will open
– Select the range of cells required to
be copied
– Right-click the range and select Copy
– Paste the data into an Excel worksheet
Running Simulations – Profile Plots (1)
• To create Flowsheet profile plots:

– Click New Profile Plot under the Tools Menu, or click Add Plot on the
toolbar
– Click the right mouse
button on the plot,
then select Profile Variables
• For array variables use
BlockName.VariableName
syntax
• Can use * wildcard for
variable array elements
• Specify pre-determined
profile times or specify
the plot to be
continuously updated

Running Simulations – Profile Plots (2)
• Obtain the numerical values of

the plot data to export into
Excel. For example:
– Right-click the open time series
plot and select Profile Table
– A History Table will open
– Select the range of cells required
to be copied
– Right-click the range and select
Copy
– Paste the data into an Excel
worksheet
Running Simulations – Tables
• To create Flowsheet tables:

– Select New Table under the Tools Menu, or click Add Table on
the toolbar
– Drag and drop variables to the table from:
• Variable Tables
• List of variables created using Variable Find
• Columns can be added or removed from view

Running Simulations – Run Options

Dialog
• The Run Options Dialog box is found in

the Run menu
• Most options are only available when the
run mode is “Dynamic”
• Used to specify:
– Run Mode
– Communication interval
– Duration of run
– Recording of historical information for all
variables
– Degree of synchronisation between solver
and GUI
• The time unit used in Aspen Adsorption is
“Seconds”
Workshop 1
Building a Simple Flowsheet

Objectives
• To familiarize ourselves with the environment we will

practice how to:
– Navigate within the environment
– Execute common tasks
• Opening an input file
• Placing models from the library onto the flowsheet
• Connecting blocks on the flowsheet
• Using variable finder
• Creating plots
• Creating tables
• Saving an input file
Step 1: Open an Input File
• Start Aspen Adsorption

– Use either:
• Desktop icon
• Start button program group item
• From the File menu select the Open option

• In the folder named Workshops, open the input file
Workshop1Start.ada
– The input file already has the component list and link to an
external physical property package defined (we will cover this
in a later workshop)

Step 2: Place Models onto the

Flowsheet
• From the ADSIM Gas models
folder in the Aspen Adsorption
library, drag the following
models onto the flowsheet:
– gas_feed
– gas_bed
– gas_product
• This is executed by selecting

the model and dragging while
holding the left mouse button
• The blocks created will be
labeled automatically
Step 3: Connect Blocks on the

Flowsheet
• From the Aspen Adsorption library,
connect the blocks using the
gas_Material_Connection Steam
Type
• To connect, drag the stream Type
onto the flowsheet
• Any free ports on a block that can
accept a connection will be
indicated with a blue arrow
• Release the mouse button on
touching a valid port
– TIP: Wait for the port label pop-up
to appear to ensure a connection
will be made
• Valid ports will again be shown
• Click another port to complete

Step 4: Rename Blocks
• Rename the blocks accordingly

– B1 (gas_feed)  F1
– B2 (gas_bed)  B1
– B3 (gas_product)  P1
• To rename, first select the

block, right-click, and select
Rename Block
– Alternatively select the block
and press Ctrl+M
• Enter the new name in the
dialog that appears
Step 5: Open Configure Forms (1)
• Each block (model instance) on the flowsheet has a

default form associated to it
• The default form is named Configure
• The form can be accessed by:
– Double-clicking a block

– Selecting the block and right-

clicking to obtain the context
sensitive menu. Then select
Configure from the Forms
option
• All flowsheet Blocks are

configured through these
forms
• The configure forms modify
block assumptions
• Press the Specify button on the configure form

for the adsorbent bed block
• The Specify table is used to set model
constants (for example, column height) and is
common
to all configure
forms

• To add/remove columns from tables:

– Right-click the table and select Properties
– Add/remove attributes (column headings)
– Press OK when finished
• The key table attributes are:

– Value – current value of the variable
– Derivative – the derivative value of the variable if it is differentiated
with respect to time (commonly known as a state variable)
– Units – the units of measurement of the variable
– Spec – the specification of the variable
• Fixed: variable does not change its value
• Free: variable is solved for
• Initial: variable describes initial state (t=0) by its value
• RateInitial: variable describes initial state by its derivative with respect to time
– Description – meaningful description of the variable
• The Specify Tables that are accessed through the configure forms
only display the variables that require a value (these are the
assumed constant variables)
• The specification will already be set to “Fixed”

Step 6: Find Variables (1)
• Launch Variable Finder from either the Flowsheet menu

or the Variable Finder toolbar button
• We want to find the free variables in the product block P1
1. Press the Browse button
2. Expand the tree to obtain the product block
3. Press the OK button
4. Select the Free check box
5. Press the Find button
• All the “Free” variables in the Sink Block will now be listed
• In the bottom window the following will be listed:
– Name
– Value
– Specification
– Variable type

• The meanings of the four key variable specifications are:

– Fixed – A variable whose value is not being solved for
– Initial – A variable whose value is known at time zero for an
initialization or dynamic run
– RateInitial – A state variable whose time derivative is known at
time zero for an initialization or dynamic run
– Free – A variable whose value is being solved for
Step 7: Creating a Time Plot (1)
• With the Variable Find dialog

still open either:
– Select New Form… from the
Tools menu
– Or press the New Form button
on the toolbar
• Provide a name for the time

series plot, for example
“Output_Comp”, and select the
Plot form type

• Drag the following variables from the Variable

Find dialog onto the y-axis of the plot:
– P1.Y_Fwd(“N2”)
– P1.Y_Fwd(“O2”)
• Instead of using Variable Finder, variables from

existing tables can be dragged onto the new
plot (the variable you may need might be found
in a results table)
• To change the x-axis scale, allow all variables to

share the same y-axis and change other plot
attributes:
– Right-click the plot area
– Select Properties from the context sensitive menu

Step 7: Creating a Profile Plot (1)
• To create a profile (axial) plot

– Select New Form… from the Tools menu
– Or press the New Form button on the toolbar
• Provide a name for the profile plot, for example

“Axial_Comp”, and select the Profile Plot form
type
Step 8: Creating a Profile Plot (2)
• Create two profiles

– N2
– O2
• For each profile use a

wildcard based profile
variable
– B1.Layer(*).Y(*,”N2”)
– B1.Layer(*).Y(*,”O2”)
(in block B1 for all layers
wish to plot the
molefraction at every
layer node for the given
component)

Step 9: Creating Tables (1)
• With the Variable Find dialog still open either:

– Select New Form… from the Tools menu
– Or press the New Form button on the toolbar
• Provide a name for the table, for example,

“Output_Comp_Table”, and select the Table
form type
Step 9: Creating Tables (2)
• Drag the following variables from the Variable

Find dialog onto the new table:
– P1.Y_Fwd(“N2”)
– P1.Y_Fwd(“O2”)

Step 10: Set Runtime Options
• Select Run Options from the Run

Menu
– Reporting/Communication interval of
1 second (this is not the
integration step size)
– Pause the simulation after 1500
seconds (for first time simulations
you may not know an appropriate
end time, therefore, do not set an
end time and manually pause the
simulation)
Step 11: Save the Problem (1)
• Save the problem with the name “Simple1.ada”

– From the File menu select Save
– Press the Save toolbar button
Save
– To save with a different name use Save As…

Step 11: Save the Problem (2)
• Aspen Adsorption simulations should be saved

as an ASCII Language file ( extension *.ada)
• ASCII format file
• Upwards compatible when newer versions of the
software become available.
• File name length up to 256 characters
• Use the File menu Save As… option to select
file type

Introduction to Aspen Adsorption Physical Properties
Part 2 – Physical Properties
Objectives
• Demonstrate the following capabilities:

– Create a Component List to use with or without a link to Aspen
Properties
– Define a Component List without the link to Aspen Properties
– Link a Component List to Aspen Properties.
– Create and use a property definition file from an existing Aspen
Plus file

Physical Properties and Aspen

Adsorption
• Aspen Adsorption is able to make use of two methods to supply
physical property data
– Aspen Properties
• AspenTech’s physical property system
• Extensive range of components and physical property methods
available
• Recommended option for ease of model maintenance
– User FORTRAN code
• Require Intel FORTRAN to be installed and the appropriate
subroutine templates can be found in the Procedure Organizer
option of the Tools menu
• Option still available for historical reasons
• Aspen Properties is employed to calculate required physical
properties and transport parameters such as:
– Viscosity
– Molecular weight
– Enthalpy
– Heat capacity
Component Lists
• Two types of component lists:

– Component List
• Default type
• Assumes connectivity to an external physical
property package
– Component Set
• Used to only supply a list of component names
• Can be created by converting an existing
Component List
• No connectivity to an external physical property
package
• Created using the Component List object in
Simulation Explorer
• A new problem always has an empty component list
named Default
• Recommended to create and populate a component
list before the flowsheet is created

Creating a Component List Linked to

Aspen Properties
– Right-click the Component

Lists object and select
Properties
– Check the Use Aspen
Properties box
– If you have already created an
.aprbkp file press the Import
Aspen Properties file button
and browse for the .aprbkp file
– If you want to create an Aspen
Properties file press the Edit
using Aspen Properties button
Edit using Aspen Properties (1)
• If the Edit using Aspen Properties button is pressed,

Aspen Properties will automatically start
• If this is the first edit, a blank component list will be
presented within Aspen Properties

• Enter the names of the

components in the Component
ID column (these are the names
that will be used in Aspen
Adsorption)
– There is an 8 character limit on
Component IDs
• If the components are
recognized, the other columns
will automatically complete
• The find button can be used to
search the database if the
component name is not
recognized
• Press the N button to continue to the next input page

• Select the physical property method to be used, for example PENG-
ROB for Peng-Robinson
• If different methods are selected these will be stored in same input
file, then the currently selected one will be the default method

• Press the N button to continue to the

next input page
• The next indicated step will be to
generate the load module. Other options
at this stage allow you to go back and
fine tune the physical property methods:
– Add own parameters/coefficients
– Select estimation methods
– Etc…
• A final confirmation will appear
• The load module will now be created. Any errors will be reported
• Once generated, close Aspen Properties and save the changes
• In Aspen Adsorption close the Physical Properties Configuration
dialog
• The Aspen Properties .aprbkp file will now be embedded in the
Aspen Adsorption input file when saved

Edit using Aspen Plus
• If you have an Aspen Plus file containing the

components and properties you want to use in the
simulation you need to generate an .appdf file
– Open Aspen Plus and create a new problem
– The run type should be set to Properties Plus
– Navigation thereafter is similar to Aspen Properties
• Use the Component List Configuration dialog to then

browse for the generated .appdf file (only generated if an
Aspen Plus Document file is saved)
• Note that in this case the properties configuration is not
embedded in the simulation file and the .appdf file needs
to be kept along with the simulation file. You should also
keep a copy of the Aspen Plus .bkp file.
Active Components in a Component

List
• To edit the component list

double-click the component list,
for example, Default
• Select which components will
be active
• The Edit Physical Properties
button allows you to change the
physical property method and
change the number of iterations
used in the underlying
calculations

Creating a Component Set
• Only used in Aspen Adsorption if

using user FORTRAN based
physical properties
• When starting a new problem:
– From the Component Lists object
right-click the Default component
list
– From the context menu, select
Convert
– Accept changes in the
confirmation dialog that appears
• To edit the list of components,
double-click the converted Default
component list
Final Notes
• If it is intended to import an Aspen Plus Dynamics flowsheet into the

Aspen Adsorption flowsheet, first create a component list named
Type1
– To change the active component list, from the Flowsheet object in
Simulation Explorer open the LocalVariables table and change the
value of the parameter ComponentList
• Only Aspen Properties files can be embedded within the Aspen
Adsorption input file.
• If Aspen Plus is used you will need to:
– Retain a copy of the .bkp file so that the .appdf file can be
regenerated in a later version
– Include the .appdf file when passing the input file to another user
• A global parameter (Physical_Properties) is used to define if either

rigorous or user Fortran based properties is used
– Automatically set during the configuration of models

Introduction to Aspen Adsorption Introduction to Heritage Gas Model Library
Part 3 – Introduction to the

Heritage Gas Model Library
Objectives
• Discuss and review the reversible flow

convention used
• Discuss and review the recommended strategy
to adopt when constructing new simulations

Introduction
• The heritage gas phase models in Aspen Adsorption have

been designed to handle the following flow occurrences:
Unit Unit
Normal Case Reversible Case
Unit Unit
Depressurization Pressurization
Unit Unit
Unit Unit
Flow Reversal
• Special classes of models are required to accomplish

flow reversal
– Reversible Pressure setters
• Accumulate material and energy
- Internal material and energy balances
• Pressure at each port are equated together
• Pressure/Material holdup relationship
• For example, Feeds, Sinks, Nodes, and Tank/Voids
– Reversible Flow setters
• Relates flowrate to pressure
• Specifies the flowrate directly
• Determines the actual stream variables based on information
from connected units
• For example, Beds and Valves

Flow Reversal Mechanism
• Forward Flow
Y1(1) = Y
If Pressure(1) >= Pressure(3)
T1(1) = T
or Flowrate >= 0
H1(1) = H Calculates/equates all
Y1, T1, H1
Mainstream Variables Mainstream Variables
1 F,Y,T,P,H
2 F,Y,T,P,H
3
Pressure Flow Pressure
Setter Y1,T1,H1 Setter Y1,T1,H1 Setter
(i.e. Tank/Void) Secondary Stream (i.e. Valve) Secondary Stream (i.e. Tank/Void)
Calculates/equates all Variables Variables
Y1, T1, H1
Y = Y1(3)
If Pressure(1) < Pressure(3)
T = T1(3)
or Flowrate < 0
H = H1(3)
• Reverse Flow
Flow Reversal – Consequences
• The consequences of the scheme are:

– The flowsheet boundaries must be terminated with either a
Feed or Product model
– It is recommended that Pressure setters and flow setters are
connected together in an alternating fashion
– However, this original connectivity rule can be broken. The
supplied gas_Material_Connection will allow this to happen. It
is capable of connecting reversible and non-reversible parts of
the flowsheet

Flow Reversal – Additional Model

Classes
• The additional classes of models are:

– Non-Reversible
• No internal material balance
• Only uses the main stream variables
(without 1 suffix)
• Does not make assumptions about reversibility
– Non-Reversible Delay
• Similar to Non-Reversible
• Passes extra information with respect to upstream pressure
The g_Material_Port
• The g_Material_Port is the port definition used through

all the gas phase process models and associated stream
• The port passes the following information:
– Key stream variables
F Molar flowrate
Y(ComponentList) Mole fraction composition
T Temperature
P Pressure
H Enthalpy
– Additional “helper” variables
Y1(ComponentList) Mole fraction from pressure setter type models
T1 Temperature from pressure setter type models
H1 Enthalpy from pressure setter type models

Port Naming Convention
• The inlet ports for all Aspen Adsorption models are named
Process_In
• The outlet ports for all Aspen Adsorption models are named
Process_Out
• When connecting to a model block, the connection is initially made
to the default port position on the block
– Once the connection is made, the connected port can then be
dragged around the model block to a more suitable position
• Some models, notably a tank/void, make use of a multiport

– Allow zero or more connections
Aspen Adsorption Gas Model Library
• The Gas\Dynamic model folder contains:

gas_bed gas_feed
gas_heat_exchanger gas_interaction
gas_valve gas_node
gas_pipe gas_product
gas_pump gas_tank_void
gas_buffer_interaction gas_ramp
• A single model can be configured to

behave in many different ways owing to
which equations are made active

Aspen Adsorption Model Library –

Other Types
• Also in the library the following objects can be found that were used
to create the models
– Parameter Types folder containing all used string parameters
– Port Types folder containing the g_Material_Port
– Variables Types folder containing all the predefined variable types
– Procedures folder containing all the definitions for user procedures
(and internal)
– Stream Types folder containing the special gas_Material_Connection
– Submodels_Core folder containing the submodels (hidden) that make
up the gas_bed model
– Submodels_User folder containing submodel templates (used in
conjunction with the editing key or can be accessed using flowsheet
level constraints/equations)
Aspen Adsorption Model Library
• All models have a configure form

– Especially tailored for the model to ensure correct configuration
– Shown if model is double-clicked in the flowsheet
– Or by exploring the model on the flowsheet
– Or by selecting, right-clicking and selecting Forms
• All models that

have fixed or
constant
variables have a
Specify table
listing the
recommended
fixed/constant
variables

Aspen Adsorption Model Library – Forms/Tables (1)
• Most models contain a results

table
– Contains only key variables
• All models contain an

AllVariables table
• The tables are accessible by
right-clicking the block in the
flowsheet
Aspen Adsorption Model Library – Forms/Tables

(2)
• Configuration parameters that control the assumptions

used by models are set by choosing the appropriate
option from selection boxes

Aspen Adsorption Model Library
• In the proceeding sections the recommended

simulation strategy will be described
– Description of the library model when relevant
– Recommended flowsheet layout
– When the flowsheet can be used
Gas System Simulation Strategies
• For simulating gas processes we have identified

four general classes of flowsheet (strategy)
– Simple Flowsheet
– Intermediate Flowsheet
– Full (Single Bed) Flowsheet
– Full (Rigorous Multibed) Flowsheet

The Simulation Strategy
• The three steps of the simulation strategy are:

– Starting/simple flowsheet
• Feed, Bed, and Product
• To check the operation of the bed model
• Simple breakthrough studies
– Intermediate flowsheet
• Addition of bed voids and feed and product valves
• Simulate non-interacting systems
– Full flowsheet
• Two approaches: Single Bed, Rigorous Multibed
• Simulate interacting systems
• Addition of interaction units and other feed/product trains
Steps for Success
• To complete a successful simulation:

– Define the process
– Identify objectives
– Identify flowsheet scope
• Once achieved, you are then able to start building the

flowsheet required to simulate the process
– Recommended to build the flowsheet piecewise
• Start with the simple flowsheet
• Gradually add complexity to reach the full flowsheet

Introduction to Aspen Adsorption The Simple Flowsheet
Part 4 – The Simple Flowsheet
Objectives
• Discuss and review the simple flowsheet strategy in

Aspen Adsorption
• Discuss and review the gas_bed, gas_feed and
gas_product models
constructing, running and reviewing results of a simple
flowsheet

Introduction
• The simple Flowsheet is the recommended starting point

• Used to ensure that the simulation of the adsorption bed
works effectively
• To enable the early testing of key model parameters and
assumptions
• Avoids the temptation to finish the complete process
flowsheet in one go
Flowsheet Definition (1)
• A simple flowsheet is defined by the following

units:
– 1 gas_feed unit
– 1 gas_product unit
– 1 gas_bed unit (can have any number of layers)
– All connected using the gas_Material_Connection
• This was constructed during the first workshop

Flowsheet Definition (2)
gas_Material_Connection
gas_product
gas_feed gas_bed
The gas_Material_Connection
Stream
• To connect all the models in the library for gas processes, the
gas_Material_Connection stream must be used
• Permits the connection of models that would break the Pressure
Setter – Flow Setter convention
• On opening a stream’s configuration form, or a form of a connected
unit, the stream will configure two internal parameters
Source_Unit_Type
Destination_Unit_Type
according to one of the appropriate model types detected
Non-Reversible
Reversible Flow Setter
Reversible Pressure Setter
Non-Reversible Delay
• The connection has two other options
– Apply Overall Pressure Drop
– Multiply Outlet Flowrate

The gas_bed Model
• All of the equations and assumptions used to describe

the gas_bed model do not exist in a single large model
• Two techniques:
– Parameterizing
– Submodeling
are used to break the model down into core components

• The gas_bed model is broken down:
– gas_bed
• Array of gLayer submodels named Layer
- Key relationship submodels
The gLayer Object Model

g as_ b ed
F lo w sh eet B lo ck
L ay er(L a y e rS e
t)
M o m e n tu m _ B a lan ce(1 )
O v era ll_ M ate ria l_ B alan c e
M ate ria l_ B alan c e(C o m p o n en t

L ist)
U ser_ M T C (1 )
D isp ersio n (1 )
U ser_ K m a cK m ic (1 )
K in etic s(1 )
U ser_ K in etic _ M o d el_ F lu id
U ser_ K in etic _ M o d el_ S o lid

P a rt_ B al(1 )
U ser_ C o n c_ Iso th erm (1 )
P a rt_ B al_ V 2 (1 )
U ser_ p P ress_ Iso th e rm (1 )
Iso th e rm (1 )
U ser_ IA S _ Iso th e rm (1 )
U ser_ IA S _ G ib b s(1 )
G a s_ E n e rg y _ B ala n ce (1 )
S o lid _ E n erg y _ B a la n ce (1 )
W all_ E B (1 )
U ser_ H T C (1 )
U ser_ K g (1 )
U ser_ D H (1 )
©2010 AspenTech. All Rights Reserved. U ser_ C P a (1 ) Slide 8

The gas_bed Model (1)
• This model is used to rigorously model a single adsorption bed

• Behaves as a reversible flow setter
• It can contain one or more Layers (submodels), for example:
– Layer 1 – water removal
– Layer 2 – methane removal
– etc…
• The gas_bed model Configure form allows you to:

– Specify number of layers and a label for each
– Set the geometry of the bed
• Vertical (1D or 2D analysis)
• Horizontal
• Radial
– Internal or external steam/water tubes/jackets
The gas_bed Model (2)
• Sample gas_bed model configure form

Layers Within the gas_bed Model
• Each layer submodel has its own Configure form
• All layers have their own set of assumptions, constant variables, and
initial conditions
Layer – General Assumptions
• PDE Discretization Method

– Method used to approximate spatial derivatives
• Number of PDE nodes

– Initially 20, may require more for stiff/sharp fronted systems
• Flux Limiter to be used (when PDE method is Flux

Limiter)

Layer – Material/Momentum Balance
• Material Balance Assumption

– Convection Only
– Convective and Dispersive material balance
• Constant dispersion coefficient
• Estimated coefficient (from Peclet and Reynolds number)
• User defined method
• Momentum Balance Assumption

– Constant Pressure and varying/constant velocity
– Laminar flow only (Darcy’s Law or Karman-Kozeny)
– Turbulent flow only (Burke-Plummer)
– Either flow condition during operation (Ergun Equation)
Layer – Kinetic Model Assumptions
• Film Model
– Fluid
– Solid
• General Kinetic Model

– Lumped Resistance, or LDF, model (linear or quadratic)
– Lumped macro and micropore model
– Rigorous particle model (severely diffusion limited systems)
– User defined method
• Mass Transfer Coefficient Type

– Constant
– Estimated
• Consider only macropores or both macro- and micro-pores
– User defined method
• Apply cyclic correction of mass transfer coefficient


Layer – Isotherm Assumptions
• Isotherm Dependency (basis used in equations)

– Partial Pressure
– Concentration
• The available standard Isotherms include

– Pure component, for example, no multicomponent interaction
• Langmuir, Freundlich, Henry, Toth, Volmer, and B.E.T. forms for example
– Multicomponent isotherms, for example, competitive adsorption is
considered
• Langmuir, Freundlich, and B.E.T. models
– Ideal Adsorbed Solution (I.A.S.) models, that allow you to calculate
the multicomponent, competitive adsorption behavior from pure
component adsorption data
– User defined isotherm
• Flowsheet constraints written in system’s modeling language
• FORTRAN subroutine
• Isotherms with a 1 suffix are non temperature dependent
Layer – Energy Balance

Assumptions (1)
• General Energy Balance Assumption

– Isothermal
– Non-isothermal with or without conduction (gas and/or solid)
• Consider Heat of Adsorbed Phase

– Method used to supply adsorbed phase heat capacities
• Heat of Adsorption Assumption

– Included or ignored
• Form of Heat Transfer Coefficient (gas to solid)

– Constant, estimated, user defined
– Use high constant value to assume gas/solid temperature are
equal

Layer – Energy Balance

Assumptions (2)
• Form of Gas Thermal Conductivity

– Constant, based on axial dispersion or user defined
• Heat transfer to Environment

– Adiabatic (no external heat transfer)
– Thin wall (wall ignored, direct exchange with environment)
– Rigorous (wall has capacity and conductivity)
• Gas to Wall Heat Transfer Coefficient

– Constant or estimated value
Layer – Reaction Assumptions
• Used to simulate adsorptive reactors

• Reactions Present
– None, Homogenous, Heterogeneous, or both
• Homogenous Rate Dependency

– Pressure or concentration
• Heterogeneous Rate Dependency

– Pressure or concentration
• Number of reactions for either phase

• Creation of Solids
– An additional component list is required for the solids

Layer – User Procedures
• Aspen Adsorption can use user FORTRAN subroutines

for:
– Calculation of Physical Properties, if Aspen Properties is not
used
– Isotherm evaluation (useful for hidden proprietary correlations)
– Calculation of transport properties as mass transfer
coefficients, dispersion coefficients according to user specified
correlations
– Calculation of reaction kinetics
• FORTRAN subroutine templates and compiler makefiles

are handled by the Procedure Organizer found in the
Tools menu
Layer – Additional Control Buttons
• The function of the control buttons down the right hand

side are as follows: Open the specification table
to specify recommended
Open the presets and initials fixed variables
table so that the initial state
at node1 can be given
Copy node 1 preset and initials to other nodes
Display results table for key variables
Open a previously saved

layer specification
Save the current layer’s

specification to a file

Layer – The Specify Table
• The Specify table only lists the recommended variables that are
required to be fixed (constants)
• Depending on the layer assumptions selected, the variable list will

change
Layer – The Initials Table
• The Initials table lists only the recommended variables

that are required to be preset or initialized
• Only first node variables for the layer are listed
– Use the Initialize button to copy to all other nodes
This mole fraction is free The mole fraction at

owing to the constraint: (Y) = 1 t = 0 is specified
The initial loading state is defined by its derivative

with respect to time at t=0, for example, w/t = 0

Layer – Initial Variables
• The values entered in the previous table are only valid for node 1
• The Initialize button copies these values to all other nodes
• The variables to initialize (depending on assumptions specified)
– Vgout(nodes) – Superficial velocity (if velocity is varying
– Y(nodes,components-1) – Mole Fraction
– W(nodes,components) – Loading
– Cms(nodes,components) – Macropore concentration
– Tg(nodes) and Ts(nodes) – Gas and solid temp
– Tw(nodes) – Wall Temp
– Csol(nodes,solid components) – Solid concentration
gas_feed Model
• Used as a flowsheet inlet boundary unit

• Can be configured as for reversible or nonreversible operation
• Recommended fixed/constant variables listed in the specify table
include:
– Reversible operation: Y_Fwd(), T_Fwd, P
– Nonreversible operation: Y_Out(), T_Out, P_Out
• When reversible, reverse flow conditions (when flow is negative)

are listed in the results table
– Y_Rev(), T_Rev, H_Rev
• All user defined mole fractions are normalized

gas_product Model
• Used as a flowsheet outlet boundary unit

• Recommended fixed/constant variables listed in the specify table
include:
– Reversible operation: Y_Rev(), T_Rev, P
– Nonreversible operation: P_In
• When reversible, forward flow conditions (when flow is positive) are

listed in the results table
– Y_Fwd(), T_Fwd, H_Fwd
• All user defined mole fractions are normalized
Workshop 3
Creating and Running a Simple Flowsheet

Workshop Objectives
• Build a simple flowsheet

– First encounter with the following models:
• gas_feed
• gas_bed
• gas_product
• Configure the adsorption bed model

• Initialize the bed for the breakthrough of air through an adsorbent
layer initially filled and loaded with nitrogen
• Create plots
• Save the problem
• Execute a breakthrough problem
Step 1: Start Aspen Adsorption and Build

Flowsheet
• If Aspen Adsorption is not already open, start the application from

either the Start button or the Desktop icon
• During workshop 1 we constructed the simple flowsheet already and
we will reuse it
– Open the input file saved at the end of the first flowsheeting
workshop (“Simple1.ada”)
• Examine the component list default
– We are only going to use two components from the .aprpdf (or
.appdf if Aspen Plus is used for properties) file used
• N2 – Nitrogen
• O2 – Oxygen

Step 2: Configure the Bed/Column
• Open the configure form for the bed model on the

flowsheet
Hint: Double-click the flowsheet block
• The bed will contain only a single layer
• Name the layer “CMS Layer”
• The geometry of the bed is 1-D Vertical
• No heating/cooling jacket/tubes will be used
• The Bed is now ready for the single layer to be
configured
Hint: Click the layer in the graphic to open the configure
form
Step 3: Configure the Layer (1)
• The first tab that is visible will be the General options

• For this problem we will assume:
– PDE Method: UDS1
– Discretization Nodes: 20
The above options are the defaults

• Select the Material/Momentum Balance Tab
• We will assume:
– Material Balance Assumption: Convection Only
– Momentum Balance Assumption: Karman-Kozeny

• Select the Kinetic Model Tab. All default options will be

used
– Solid film lumped linear resistance model with constant MTC
• Select the Isotherm tab. A concentration dependant

Extended Langmuir 1 isotherm (not temperature
dependent)
• As the process is isothermal and no chemical reactions
are present, we will leave the Energy Balance and
Reaction options at their defaults
• We are ready to define the constant variables

• Click the Specify button on the layer configure form
• Modify the follow variables:
– Bed height Hb = 0.35 m
– Bed diameter Db = 3.5 cm
– Interstitual voidage Ei = 0.4
– Intraparticle voidage Ep = 0
– Bulk soild density RHOs = 592.62 kg/m3
– Particle radius Rp = 1.05 mm
– Shape factor Sfac = 1
– Mass Transfer Coefficient N2 = 7.605e-3 1/s
– Mass Transfer Coefficient O2 = 4.476e-2 1/s

– Isotherm parameters
N2 O2
IP(1,*) 9.0108e-3 9.3652e-3
IP(2,*) 3.3712 3.5038
where the * indicates either O2 or N2
Step 4: Save the Column Data
• At this point, you can save the column data to an external file using
the Save button
• This file contains the layer configuration and all specified (fixed)
variables
• You can use it in other simulations (or for rearranging layers) by
using the
Open button

Step 5: Layer Initial Conditions (1)
• To define the layer’s initial condition click the Preset/Initials button
• As we are going to execute a breakthrough, the bed layer will need

to be initialized as fully saturated with pure nitrogen
– Preset (specification: free) the N2 Mole Fraction to be 1.0
– Initialize (specification: initial) the O2 Mole Fraction to be 0.0
– Recommend freeing the most abundant component
– If one component is not freed, the Initialization script will automatically
do this
Step 5: Layer Initial Conditions (2)
• To indicate the adsorbent being saturated with respect to the bulk

composition, the loading W (a state variable) needs to be:
– Specified as RateInitial
– Derivative set to zero
• You will notice that the presets/initials are being applied to a single
node in the layer. To transfer the values to the other nodes:
– Press the Initialize button on the layer configure form
– Or from the Flowsheet menu select Check & Initial
(this action will also execute a flowsheet topology check)
• The bed/column model is now fully specified. All forms and tables
can be closed

Step 6: Configure the Feed Unit
• The feed unit will be configured for forced flow

• Double-click the Feed block to open its Configure form
– Leave assumptions at default (reversible operation)
• The feed conditions, defined in the Specify table, are:

– N2 Mole Fraction = 0.79
– O2 Mole Fraction = 0.21
– Pressure = 3.045 bar
– Flowrate = 5e-7 kmol/s
• Set the Flowrate specification to fixed
• The flowsheet will now be over specified owing as the feed flowrate
has been fixed. Another variable must be freed
Step 7: Configure the Product Unit
• As the flowsheet is pressure driven, in this flowsheet if

the feed pressure and flowrate is specified, the product
pressure must be freed (the momentum balance in the
bed will calculate the exit pressure)
• Double-click the Product block to open its Configure form
– Leave assumptions at default (reversible operation)
• The product conditions, defined in the Specify table, are:

– Set the pressure specification to free
– The specification indicator should show a square problem

Step 8: Check and Initial The

Flowsheet
• From the Flowsheet menu select Check & Initial

– Flowsheet menu only visible if the Flowsheet window is active
• The Check & Initial procedure will:

– Examine the flowsheet for structural errors
– Configure the streams with the correct source and destination
block types and highlight disconnected streams
– Execute any inbuilt initialization method in any flowsheet block
– Check physical property method (Aspen Properties or user
FORTRAN subroutines)
– All errors will be listed in the Simulation Messages window
Step 9: Set Solver Options
• Before we execute the simulation we need to set some solver

options
• From the Run menu select Solver Options
• Reconfigure the integrator with the following:
– Integrator: Variable Step Implicit Euler
– Initial Step Size: 1
– Minimum Step Size: 1
– Maximum Step Size: 50
Allowing a large maximum integration step as we are only executing

a breakthrough rather than introducing a series of discontinuities
• All other solver options are left at their defaults

Step 10: Configure Run Options
• From the Run menu select Run Options

• Set the communication interval to 5 seconds
• Configure the simulation to pause at 1000 seconds
Step 11: Result Plots
• During the first workshop we have already created two

plots
– Time series plot of the column exit/product compositions
– Profile plot of the column axial composition

Step 12: Save the Problem
• Before the simulation is executed it is advised to save

the problem
– Also provides our reference (“vanilla”) start file
• Save the problem as “Simple.ada”
Step 13: Execute the Dynamic Run
• Open the previously created plots Axial_Comp and Output_Comp

– All user created plots and tables are stored at Flowsheet level
• Press the run button on the button bar

• The dynamic run should complete successfully
Axial_Comp Output_C onc

0.25
0.05 0.1 0.15 0.2 0.25

1
1
P1.Y_Fwd("N2") kmol/kmol
P1.Y_Fwd("O2") kmol/kmol
N2 kmol/kmol Time: 150.0
0.8 0.85 0.9 0.95
0.8 0.85 0.9 0.95

0.1 0.15 0.2
O2 Time: 150.0
N2
0.05
0.75
0.75
0 5 10 15 20 0 200 400 600 800 1000

Index Tim e Sec onds

Step 14: Examine Profile History
• Examine the profile plot at a different time in history

• Right-click the profile plot and select Profile Variables
• Select the Time Settings
tab
– Default is Continuous
Update (dynamically
changes when open during
a dynamic run)
– Change to Specify Times
and add 150 seconds to
the list
– Press OK or Apply
Step 15: Reverse flow
• Set the Feed flowrate to -5e-7 kmol/s

• Set the Product reverse composition to pure N2
– This will be the Y_Rev variable in the Specification table
• Rerun the simulation

• The profile plot should show the bed/column being
regenerated

Step 16: Purely Pressure Driven
• Restart the simulation by pressing the Restart button on the toolbar

– Simulation will return to time = zero conditions
• Open the Feed specify table and free the flowrate

• Open the Product specify table
– Fixed the pressure
– Set the product pressure to 3.04495 bar
• From the pressure being applied across the column the feed
flowrate will now be calculated
• The results should be broadly similar to when flowrate driven
Step 17: Reverse Flow
• Set the Product pressure to 3.04505 bar

• Set the Product reverse composition to pure N2
– This will be the Y_Rev variable in the Specification table

regenerated

Introduction to Aspen Adsorption The Intermediate Flowsheet
Part 5 – The Intermediate Flowsheet
Objectives
• Discuss and review the intermediate flowsheet strategy

in Aspen Adsorption
• Discuss and review the gas_tank_void and gas_valve
models
• Complete the workshop to gain familiarity with building
on the simple flowsheet to construct, run and review
results of an intermediate flowsheet

Intermediate Flowsheet Strategy
• The Intermediate flowsheet is an extension of the Simple

flowsheet
• Builds on the Simple Flowsheet through the addition of:
– Feed and product valves
– Top and bottom bed/column voids
• The intermediate flowsheet is useful for simulating non-

interacting (single bed) adsorption systems
– Introduces effect of dead spaces at the in/outlet of the
bed/column
– Simple cycles can be created
• Co-current adsorption
• Counter-current desorption
• etc...
Intermediate Flowsheet Definition (1)
• A simple flowsheet is defined by the following

units:
– 1 gas_feed unit
– 1 gas_product unit
– 2 gas_valves (feed and product valve)
– 2 gas_tank_voids (top and bottom dead space)
– 1 gas_bed unit (can have any number of layers)

Intermediate Flowsheet Definition (2)
gas_product
gas_valve
gas_valve
gas_tank_void
gas_feed gas_bed
gas_tank_void
gas_tank_void Model (1)
• Can be used as either holding tank or bed void

• Uses well mixed tank assumption
• Can be configured as for reversible or nonreversible
operation
• Multiport inlet and outlet allow any number of feed or
product streams

• Default: Use Aspen Properties – selected at Global level

• The model can be assumed as either adiabatic or non-adiabatic
• If it is adiabatic the recommend fixed variable is Tank_Volume
• If the tank/void is non-adiabatic the Shape (and recommended
associated fixed variables) are:
– Spherical (Tank_Volume)
– Hemispherical (Diameter)
– Cylindrical (Height, Diameter)
– Cap (Tan_Height, Diameter)
– Unknown (Surface_Area)
to approximate more accurately the heat exchange area
• When non-adiabatic the additional fixed variables are:

– Cp_Shell
– HTC_Shell
– HTC_Env
– T_Env
• Recommended variables to specify the initial condition are:

– T Temperature
– P Pressure
– Y(ComponentList - 1) Component mole fractions
• Pressing the Initialize button on the configure form will check that
ComponentList – 1 components have the Initial specification and
also calculate the approximate molar holdup

gas_valve Model (1)
• The model is used to relate pressure drop to flowrate

• Usually used between two pressure setters
– Two gas_tank_voids
– gas_feed or gas_product and a gas_tank_void
• Is considered isothermal and isenthalpic

• Stop valve behavior can be specified for a reversible valve
• Valve characteristic can be configured as:
– Linear (default, most commonly used in Aspen Adsorption)
– ISA
– Choked
– Pop
gas_valve Model (2)
• When configured with the Linear characteristic the valve

can be operated by:
– Cv only
– Flow or Cv

gas_valve Model – Active

Specification
• When using a Linear valve with the Flow/Cv specification

possibilities the following Fixed variables control the
operation of the valve:
– Active_Specification – Used to indicate mode of operation
• 0 = Fully off
• 1 = Fully open
• 2 = Cv
• 3 = Flowrate
– Cv – A placeholder variable for the valve linear Cv that is used
when the Active_Specification is equal to 2
– Flowrate – A placeholder variable used to specify a constant
molar flowrate when the Active_Specification is equal to 3
gas_valve Model – Other

Specifications
• When configured as an ISA valve, the Fixed variables

are:
– Cv_ISA: Valve coefficient for an ISA or Choked valve
– Xt: Pressure drop ratio for an ISA or Choked valve
• When configured as a Choked valve, the Fixed variables

are:
– Cv_ISA: Valve coefficient for an ISA or Choked valve

gas_valve Model – Other

Specifications
• When configured as Pop valve, the Fixed variables are:

– Popen: Pressure at which a Pop valve automatically opens
– Pclose: Pressure at which a Pop valve automatically closes
– Active_Specification – Used to indicate mode of operation
• 0 = Fully off
• 1 = Fully open
• 2 = Cv
• 3 = Flowrate
– Cv – A placeholder variable for the valve linear Cv that is used
when the Active_Specification is equal to 2
– Flowrate – A placeholder variable used to specify a constant
molar flowrate when the Active_Specification is equal to 3
Workshop 4
Creating and Running an

Intermediate Flowsheet

Workshop Objectives
• Take the simple flowsheet and extend it to an

intermediate flowsheet
• Add additional blocks to the flowsheet
– First encounter of the following models:
• gas_valve
• gas_tank_void
• Disconnect and reconnect streams

• Execute a dynamic simulation
Step 1: Reuse Last Saved Problem
• Open the file “Simple.ada” saved during workshop 3

from the previous section
• If asked to save the current problem, save it under a
different name

Step 2: Add the Extra Units
• Add the additional blocks to form the intermediate flowsheet
gas_valve
gas_tank_void
gas_tank_void
gas_valve
• Rename and change the icons accordingly
Step 3: Reconnect/Add New

Streams
• Disconnect the destination of stream S1 and reconnect it to VF1

(select stream then right-click and select from menu)
• Disconnect the source of stream S2 and reconnect it to VP1
• Connect VF1-TD1,
TD1-B1, B1-TD2,
TD2-VP1 using the
New
Previous streams
streams

Step 4: Operating Data and Presets

(1)
• It is important for any Aspen Adsorption simulation to preset

pressure levels appropriately
• This means that there has to be a pressure gradient in flow direction
• The pressure drop across the bed can be determined from the
simple flowsheet simulation
• The pressure drops across the valves can be estimated
• The pressures in the feed and product blocks have to be set
accordingly
• The pressures in the tanks have to be preset accordingly
Step 4: Operating Data and Presets

(2)
• In this example, the following assumptions can be made:
Valve fully opened. Assume

pressure drop of 0.1mbar
S5
S6 S2
Set the pressure
P1 to 3.0447 bar
Preset the pressure VP1
TD2
to 3.0448 bar
Assume a pressure
B1
drop of approximately
0.1mbar across the bed
Set the pressure
TD1 Preset the pressure
to 3.045 bar
to 3.0449 bar
S3
S1
F1
VF1
Flowrate = 5e-7 kmol/s
Assume pressure drop
of 0.1mbar

Step 5: Modify Feed and Product

Units
• Set the Feed unit flowrate specification to Free

• Change the product unit pressure to 3.0447 bar
• Set the product unit pressure specification to Fixed
Step 6: Configure the Feed Valve
• Open the specify table for the feed valve VF1

• Set the Active_Specification = 3 (Flowrate)
• Set the Flowrate = 5.0e-7 kmol/s
– Note how the flowrate is now set at the valve instead of the
boundary (feed) unit as in the simple flowsheet

Step 7: Configure the Product Valve
• Open the specify table for the feed valve VP1

• Set the Active_Specification = 2 (Cv)
or Active_Specification = 1 (Fully Open)
• Set the Cv = 100 (if Active_Specification = 2)
Step 8: Configure the Dead Spaces
• Open the Specify table for TD1

– Fix the following variable:
• Tank_Volume = 1e-5 m3
– Initial the following variables:
• T = 298.15 K
• Assume the tank is filled with pure N2
• P = 3.0449 bar
• Open the Specify table for TD2

– Fix and initialize the same variables with the same values as
for TD1, except for the pressure:
• P = 3.0448 bar

Step 9: Check/Initial Flowsheet
• From the Flowsheet menu (available when the flowsheet

window is active) select Check & Initial
– Streams have been correctly configured
– Execute initialization methods in blocks that contain them
Step 10: Save Problem and Execute

Run
• Before executing any runs, save the problem as “Intermediate.ada”

• Open the previously created plots:
– Output_Comp
– Axial_Comp
• Execute the dynamic run

• The dynamic run should complete successfully
• Investigate the results
– We should have reproduced the same results as for the Simple
Flowsheet workshop

Step 11: Moving to Full Cv Control
• Restart the simulation

• Change the product pressure to 1.014 bar
• Set the feed valve to Cv control (Active_Specification =
2) with a Cv of:
5e-7 kmol/s  1e-3 bar = 5e-4 kmol/s/bar
• Set the product valve to Cv control with a Cv of:

5e-7 kmol/s  (3.0448 bar – 1.014 bar) = 2.64e-7 kmol/s/bar
• Rerun the simulation. A similar result should be obtained
Step 12: Reverse Flow
• Set the Product reverse composition to be pure N2

• Set the Product pressure to 3.045 bar
• Set the Feed pressure to 1.014 bar
• Set the Feed valve Cv to 2.64e-7 kmol/s/bar
• Set the Product valve Cv to 5e-4 kmol/s/bar
regenerated

Introduction to Aspen Adsorption Full Cyclic Flowsheet
Part 6 – Full Cyclic Flowsheets
Objectives
• Discuss and review the interacting single bed approach

to simulating multiple bed processes
• Show how to define cyclic operation
• Complete the workshop to gain familiarity with creating
and running a full cyclic flowsheet using the single bed
approach

Interacting Single Bed Approach
• The Interacting Single Bed Full Flowsheet can be used

to simulate full cyclic systems of interacting units
• The flowsheet makes use of the Interacting Single Bed
approach
• The approach is only valid for these assumptions
– Each adsorbent bed is identical
• Adsorbent layers
• Model assumptions
– Only one bed has to be rigorously modeled
– Any number of interactions can be incorporated
– Material sent to an interacting bed (stored) is reused
(replayed) later in the cycle
The Single Bed Approach (1)
• Taking a three bed, three stage O2 VSA system as an example

• The pressure profile for each bed is as follows
P
Bed 1
T
P
Bed 2
T
P
Bed 3
T Slide 4

• All three beds under go the same stages in the cycle

• Each bed is 1/3 cycle ahead of the other
• Assuming the above and that all the beds are identical:
– Instead of sending material to a real interacting bed, the
relevant information is recorded
– When a bed is receiving material, instead of receiving “real”
material from a bed, the recorded information from early in the
cycle is used
– To record the information an interaction unit is required
• Eliminates the requirement of other rigorous bed model
Flowsheet
Store
Scope
Profiles
Replay
Profiles
P
Bed 1
T
P
Bed 2
T
P
Bed 3

T Slide 6

The Single Bed Approach – The

Interaction Unit
• The interaction unit needs to store the following

information of the material sent to the interacting bed
– Flowrate
– Composition
– Temperature
– Pressure
• The library model used for this purpose is gas_interaction

• A valve (configured as a delay valve) is required on the
inlet of an interaction unit. The return from the interaction
can be returned directly to a dead space, etc...
The Single Bed Approach – The

Interaction Train
• No valve is required on the return stream from the interaction unit

Valve Present Valve Not Present
In Scope In Scope
Real Bed Store Replay

Scope
Real Bed
Scope
Store Profile Replay Profile


The Single Bed Approach –

Interaction Flexibility
• Depending on where material is withdrawn and where it

is returned, the following interactions can be simulated:
– Top-to-Top
– Top-to-Bottom
– Bottom-to-Bottom
– Bottom-to-Top
• If there is more than one interaction for a given stage,

(where material is received from and/or returned to the
same end of the real bed) an extra valve and interaction
unit train is required to handle each interaction
The Single Bed Approach – Benefits
• No detriment to simulation accuracy

• Increased simulation speed
– Fewer (factor of n) equations to solve
– Less data passed between client and server and server to
plot/result files
• Simplifies the setting up and configuration of the model

Process Example – 2 Bed N2 PSA

Process
• Aim is to produce Nitrogen from Air
• Adsorbent is Carbon Molecular Sieve
• Oxygen is more readily adsorbed than Nitrogen due to its faster
kinetics in the adsorbent pore structure
• The process employs two identical beds and consists of a four stage
cycle:
– Adsorption
– Depressurization (to waste)
– Regeneration (with adsorption product)
– Repressurization (with feed)
• Can the single bed approach be used?

• What will the flowsheet look like?
2 Bed N2 PSA Process – Cycle

Description
Bed 1 Bed 2 Bed 1 Bed 2
Stage 1: Stage 2:
60 s 15 s
Bed 1 Adsorption Bed 1 Depressurization
Bed 2 Regeneration Bed 2 Repressurization
Stage 3: Stage 4:
60 s 15 s

2 Bed N2 PSA Process – Interaction

Profile (1)
• The pressure profile for each bed is as follows
3 bar
Bed 1
1 bar
3 bar
Bed 2
1 bar
60 s 75 s 135 s 150 s
2 Bed N2 PSA Process – Interaction

Profile (2)
• Assuming the beds are identical and execute identical stages, from
a single bed pressure profile, when using the single bed approach
the flowsheet will require:
– Intermediate flowsheet
Interaction Unit
– One interaction unit with valve Required
– Purge product train
3 bar
Purge Train
Required
1 bar
©2010 AspenTech. All Rights Reserved. 60 s 75 s 135 s 150 s Slide 14

2 Bed N2 PSA Process – The Final

Flowsheet (1)
• The additional units that will be required to extend the

Intermediate Flowsheet to the Full Flowsheet using the
single bed approach are:
– Two gas_valves (product, interacting bed)
– One gas_product (purge product)
– One gas_interaction (to receive information as interacting bed)
2 Bed N2 PSA Process – The Final

Flowsheet (2)
gas_valve
gas_valve
gas_interaction
gas_product
(Interacting Bed
(Main Product)
representation)
gas_tank_void
gas_bed
(Reference Bed)
gas_tank_void gas_product
gas_valve (Purge Product)
gas_feed
(Main Feed) [Intermediate Flowsheet] gas_valve

Additional Configurations
• It is possible that you may want to:

– Withdraw or feed material
– Stop flow (for example, blow down co-currently the top layer
and the bottom layer counter-currently)
between layers
• You will need to:
– Place two gas_bed models in series and configured with the
appropriate layers
– Place additional blocks between the two gas_bed blocks to
allow either the withdrawal/feed of material or to halt the
flow
– Remember to stick to the flow setter/pressure setter block
sequence to ensure robustness
gas_interaction Model (1)
• Used to simulate an interacting bed when using the single bed

approach
• The Model Type is Non-Reversible Delay
• Requires a gas_valve configured as a Non-Reversible Delay
Model to be connected to the inlet. The outlet can be
connected to any other Model Type except for a gas_valve
– When using Check & Initial from the Flowsheet menu the
configuration is checked and corrected automatically
• The model is used to record flow, composition, temperature,
pressure, and enthalpy profiles of the material sent to it
• Replays the recorded profile when material is required to be
returned

• The interactions that a given unit undergoes are defined

within the Interactions table of Cycle Organizer
• The table is as follows:
Pressure 
Step 1 2 3
Interacts with 3 0 1
1 2 3
Time 
• The model can only be used within an Interacting Single Bed

flowsheet
• The fixed variables used in the model are:
– Notional_Volume used for initial bed pressure estimation in first
cycle, normally the interstitial plus void volume
– P_Stage_Start initial pressure stage start
– Xfac bed volume correction factor, used only in first
cycle
– F_initial used for reverse interactions
– Y_initial() used for reverse interactions
– T_initial used for reverse interactions
– P_initial used for reverse interactions
• There are no initial variables

The gas_interaction Model
• During the first cycle when no real bed pressure is available the
interaction unit uses the following expression to generate a pressure
ramp
P n
xfac Notional _ Volume  RT
t t
• Xfac is used as a volume correction factor
– Typically a value approximately around 1
– Set to a high value, 100, when the bed being interacted with is at
constant pressure (act as a very large volume tank)
• After the first cycle a real bed pressure profile is available as this is
used for subsequent cycles
The Cycle Organizer (1)
• To create cyclically operated processes a tool, Cycle Organizer, has

been provided
• Accessed from the Tools menu
• Will place an instance of the Cycle
Organizer on the flowsheet (if one
is not present) and the open it

• The purpose of the Cycle Organizer is to:

– Allow the user to define an unlimited number of cycle descriptions
– Enable the user to define an unlimited number of steps in a cycle
• How the step will be controlled
- Time driven
- Discrete event driven
• Which variables are to be manipulated
- Change in boundary conditions
• Flowrate
• Composition
- Ramping (linear or s-shaped)
– Generate a Cyclic Task (created using Task Language, see online
help) based on the entered information (eliminates the need to
write procedural code!)
• The Cycle Organizer block on the flowsheet provides two additional

functions
– Setting of Global variables
• Cycle and Step times
• Step number
• Time into current Cycle and Step
– Storage of a defined cycle
• This information is saved in the same input file
• On opening the Cycle Organizer
– It will examine what variables are present (limited to three field levels)
– Sort constant variables from free variables
• Obtain the current unit of measurement and value

Current Cycle and Step Description
• For each step and cycle a description can be given

– The ToolTip for any step or cycle tab will be the description given
– Description is displayed in the simulation messages window when the
given step is being executed
Cycle description field
Cycle tabs
Step tabs
Step description field

Step Control (1)
• There are five means of controlling a step

– Explicit time
– Discrete event
• A free variable compared to a value
(i.e., Tank level >= Value)
• A free variable compared to another variable

(i.e., Tank 1 level >= Tank 2 level)

Step Control (2)
• A composite expression
(i.e., Tank 1 level >= Tank 2 level AND Tank 1 level >= Value
Note: expressions currently work at base UOM)
– Dependent on another step

• This step is always equal in duration to step X
Manipulated Variables (1)
• To access the manipulated variables table:

– Right-click a step tab and select Manipulated
– Press the drop down arrow next to the Step button and select
Manipulated
• Any variable that has a
Fixed or Initial
specification can be
manipulated in a given
step
– Able to change the unit of
measurement
– When the cyclic task is
generated, the value will be
automatically converted to
the variable’s base UOM

Manipulated Variables (2)
• To add or remove variables from the table:

– Right-click the table and select Add or Remove
– From the Variables button drop-down select Add or Remove
• Ramp any variable

– The value is the start value
– Will need to provide:
• Ramp type
- Linear
- S
• Target value
• Ramp time
Interaction Table (1)
• If any gas_interaction or
gas_buffer_interaction units are
present on the flowsheet the
Interactions options is made
available
• Selecting this option displays the
Iteration table
– Lists the active interactions for
every interaction unit
• The root step (the step that defines

the master step length) is also
displayed

Interaction Table (2)
• To define a forward interaction (+ve indices)

– First select a step, early in the cycle, where material is being sent to
an interacting unit
– Select an available later step where the material will be returned
• To define a reverse interaction (-ve indices)

– First select a step, late in the cycle, where material is being sent to an
interacting unit
– Select an available earlier step where the material will be returned
• RULE: When defining an interaction, define it at the step when

material is being sent to the unit
Additional Controls
• Additional step and cycle controls are available

– Execute a script (in VBScript) at the end of a step
– Take a snapshot at the end of every step and/or cycle
– Define the number of cycles to execute in a given run
• Simulation will automatically pause, if run is pressed again and batch of cycles
will be executed started from where the simulation last paused
– Data history record. Record the first X cycles and then every
subsequent Y cycle
– Testing to see if cyclic steady state achieved
• Based on a given tolerance
• Checks column loading at
the start of every cycle
• Automatically pauses the
simulation

Generation of the Task
• To generate the Cyclic Task:

– From the Cycle button drop down select Generate
– Double-click in the status bar
• After successful generation the task will be automatically

activated
– The task can be freely viewed
– It is not recommended to edit the task
• The problem is now ready to execute a dynamic cyclic

run
Final Notes (1)
• Configure the flowsheet as if it is about to execute the first step of

the cycle
• Only one instance of the Cycle Organizer can be present on the
flowsheet
• Ensure the run options allow the problem to run indefinitely
– From the Run menu select Pause At and select Run Indefinitely
• Another batch can be executed by pressing the run button when a

batch of cycles have been completed
– The simulation is paused after each batch of cycles
• When a variable is manipulated in a given step it will keep that new

value until it is explicitly accessed again

Final Notes (2)
• Any number of defined cycles can be active

– Different sections of the flowsheet operating under different cycles
• Cycle descriptions can be chained together

– Define different cycles
• Start up
• Running
• Shutdown
– Specify which cycle starts first
– Specify the cycle that follows when the given cycle has executed its
batch of cycles
• If multiple cycles are active, one cycle must be marked as having
control of the cyclic reports
Full Flowsheet – Rigorous Multibed
• If the Single Bed approach cannot be used for a given

process a Rigorous Multibed flowsheet can be created
– Contains more than 1 bed model
– Useful for control studies
– More difficult to configure
– Longer execution times
• The simple N2 PSA example in he forthcoming workshop will
take almost twice a long to complete a run
• A demonstration example is available: “Nitrogen Production
(Rigorous Multibed Approach)”

Workshop 5
Creating and Running a Full Cyclic Flowsheet Using the Single Bed
Approach
Workshop Objectives
• Create a full N2 PSA process based on the example given at the

start of this section
• Add additional blocks to an Intermediate flowsheet
– Purge product train (gas_valve and gas_product)
– Interaction train (gas_valve and gas_interaction)
• Define a cycle using the cycle organizer that are a mix of:
– Time driven steps
– Event driven steps
– Linked non-interacting steps
• Execute the cyclic simulation

Step 1: Reuse the Last Saved

Problem
• Open the Intermediate flowsheet input file created during

the previous workshop “Intermediate.ada”
• If asked to save the current problem, save it under a
different name
Step 2: Add the Extra Units
• Add the additional blocks to extend the Intermediate flowsheet to a

Single Bed Approach Full flowsheet
gas_valve
gas_interaction
gas_valve
gas_product


Step 3: Add New Streams
• Connect TD1-VW1, VW1-W1, TD2-VD1, VD1-D1, D1-

TD2, using the gas_Material_Connection
New streams
Step 4: Initial Bed And Void

Conditions
• In the previous workshops we have assumed that the

system was initially filled and equilibrated with pure
product (Nitrogen)
• Another initial state commonly used is to assume the
system is in equilibrium with feed
– Modify the initial bed and void conditions to reflect that it is
equilibrated at feed conditions
• 79% N2
• 21% O2

Step 5: Configure the Valves (1)
• Open the Specify table for valve VW1

– Active_Specification = 0 (Off)
• Open the Specify table for the valve VF1

– Active_Specification = 1 (Fully Open)
• Open the Specify form for the valve VD1

– Active_Specification = 2 (Cv)
– Cv = 1.8e-7 kmol/bar/s
• Open the Specify form for the valve VP1

– Active_Specification = 3 (Flowrate)
– Flowrate = 5.2e-9 kmol/s
Step 5: Configure the Valves (2)
• A handy expression that can be used to estimate a linear valve Cv is:
 P
100V  high
start
 P start

Cv  Ln
low

RTt  Phigh  Plow 
end end
• Where
– V = Bed/column interstitial + void gas volume (m3)
– T = Mean gas temperature (K)
– R = Gas constant (kJ/kmol/K)
– t = Step time (seconds)
– Phigh = High pressure side of valve (bar)
– Plow = Low pressure side of valve (bar)

Step 6: Configure the Feed and

Product Units
• Open the Specify table for the feed unit F1

– Pressure P = 3.045 bar
• Open the Specify table for the product unit P1

• Open the Specify table for the purge unit W1

Step 7: Configure the Interaction

Unit
• Modify the following variables in the interaction unit D1

– P_Stage_Start = 1.013 bar
– Xfac = 100
• We now need to provide a value for the

Notional_Volume (used for pressure profile estimation in
first cycle)
– Press the Estimate Notional Volume button on the configure
form
– A value should have been calculated and passed back into the
block

Step 8: Check The Flowsheet
• From the Flowsheet menu select Check & Initial

– The bed will be reinitialized at feed composition
– The top and bottom bed dead spaces will also be reinitialized
at feed composition
– The new streams will be configured
Step 9: Create The Cyclic Task
• We are now ready to open the Cycle Organizer to

generate the task for our simple N2 PSA process
• From the Tools menu select Cycle Organizer…
– A Cycle_Organizer block will be placed on the flowsheet and
automatically opened

Step 9a: Define Step 1
• Step 1 in our N2 PSA process is “Adsorption & supply to purge”

• The step is time driven of length 60 seconds
• The following variables will need to be manipulated:
– D1.P_Stage_Start = 1.013 bar
– D1.Xfac = 100
– VD1.Active_Specification = 2 (use Cv)
– VD1.Cv = 1.8e-7 kmol/bar/s
– VF1.Active_Specification = 1 (fully open)
– VP1.Active_Specification = 3 (use Flowrate)
– VP1.Flowrate = 5.2e-9 kmol/s
– VW1.Active_Specification = 0 (fully closed)
Part 9b: Define Step 2
• Step 2 in our N2 PSA process is “Counter-current blow

down”
• The step is event driven, terminates when TD1.P <= 1.1
bar
– VD1.Active_Specification = 0 (closed)
– VF1.Active_Specification = 0 (closed)
– VP1.Active_Specification = 0 (closed)
– VW1.Active_Specification = 2 (use Cv)
– VW1.Cv = 6e-6 kmol/bar/s

Step 9c: Define Step 3
• Step 3 in our N2 PSA process is “Purge with product”

• This step is part of an interaction, therefore ignore the
step control section
– VW1.Cv = 1e-5 kmol/bar/s
Part 9d: Define Step 4
• Step 4 in our N2 PSA process is “Repressurize with feed”

• The step is dependent on the length of step 2
– VF1.Active_Specification = 2 (use Cv)
– VF1.Cv = 1.4e-5 kmol/bar/s
– VW1.Active_Specification = 0 (closed)

Part 9e: Define Interactions
• We now need to define the forward interaction between steps 1 and

3
• From the Step toolbar button select Interactions
• Double-click Step 1 of interaction unit D1
• From the selection box select 3
• Step 3 for interaction unit D1 should automatically update its value
to 1
• If you now look at step 3, the step control box should now indicate
that it will undergo a forced time driven step based on step 1
Part 9f: Generate The Cyclic Task
• From the Cycle toolbar button, select Cycle Options

• Set the maximum number of cycles to execute to 15
• From the Cycle toolbar button, select Generate Task
– After a few seconds you will be informed that a task was
successfully generated and activated
– Will generate a task in the flowsheet section named Cycle1
• Close the Cycle_Organizer

Step 10: Examine the Generated

Task
• Right-click the generated task Cycle1 that can be found

under the Flowsheet object in explorer, and select Edit
– Note how the Task has a check mark over the top to indicate
that it is active
– To deactivate the task, double-click it
• As you can see the task is comprised of a series of

complex statements and assignments
• Close the editor
Step 11: Change Solver Options
• From the Run menu select Solver Options…

• Change the maximum step size to 5
– As we are simulating a process that will under go a series of
time discontinuities usually use more conservative settings
– Normally recommend this setting to be half of the shortest step
time

Step 12: Change Run Options
• As Cycle Organizer is being used to control the

simulation all pause controls must be disabled
– Cycle Organizer will automatically pause the simulation when
the correct number of cycles has been executed
• From the Run menu select Run Options

– Set the Communication interval to 2.5 seconds
– Uncheck the Pause at control (make the simulation to appear
to run indefinitely)
Step 13: Create a New Time Plot
• Create a new time based plot named Bed_Pressure

• Add the following variables:
– TD1.P
– TD2.P

Step 14: Save the Problem and

Execute Run
• Before executing any runs save the problem as “Full.ada”

• Open the flowsheet level plots
– Bed_Pressure
– Axial_Comp
– Output_Comp
• Execute the Dynamic Run

• The simulation will automatically pause after 15 cycles
Bed_Press ure Output_C onc
0.05 0.1 0.15 0.2 0.25

3.5
1
0.8 0.85 0.9 0.95
3
TD1.P bar
TD2.P bar
2 2.51.5
0.75
0 500 1000 1500 2000 2500 0 500 1000 1500 2000 2500
Tim e Sec onds Tim e Sec onds
Step 15: Investigate Results
• In the Tools menu under Report, select Stream Report

• Provides material balance information for every stream
on the flowsheet on a cyclic or stepwise basis

Introduction to Aspen Adsorption Defining Custom Isotherms
Part 7 – Defining Custom Isotherms
Objectives
• Discuss and review the use of custom isotherms

• Describe and review the modeling language for user
equations.
• Complete the workshop to gain familiarity with creating
the extended Langmuir isotherm as a flowsheet
constraint.

Why Use Custom Isotherms?
• Custom Isotherms may be required for the

following types of problems:
– Use of an isotherm that is not standard to Aspen
Adsorption
– Components using different isotherms
– Different isotherms for different concentration/pressure
regions
How to Add a Custom Isotherm
• Custom isotherms can be added to the system by:

– Flowsheet constraints written in the system’s own modeling
language (recommended approach)
– External user FORTRAN subroutine (not regularly used)
• In the following slides we will introduce how to use the

systems modeling language to introduce new/custom
isotherms

Finding the Path to Variables
• When the isotherm for the layer has

been defined as a User Submodel, the
user has to be aware of the path to the
variables required to write the flowsheet
constraints
• Select and right-click the affected
bed/column model and select Explore
• Expend the Blocks to follow the path
through to the isotherm submodel
• In our example the path to variables used in an user isotherm is:
– B1.Layer(1).Isotherm(1).User_Conc_Isotherm(1)
Adding Flowsheet Constraints
• To add flowsheet constraints (can be considered as

global equations)
– Right-click the flowsheet object in the Simulation Explorer
– Select Edit from the context menu
– An editor window will open

Brief Introduction to the Modeling

Language
• The modeling language is fully documented in the online help within

the Modeling Language Reference book
• The modeling language is a straight forward equation based
language with BASIC like constructs
– Access to If and Do constructs
• To access variables from the flowsheet you use the

<Block Name>.<Variable Name> syntax
• Variables such as concentration, C, and loading, W, are two
dimensional
– First index column node position (a discretized PDAE model)
– Second index component
Starting to Add Custom Equations
• To save entering the block name in front of every

variable we can define a block scope using the Within
keyword: Comment
CONSTRAINTS
// Flowsheet variables and equations...
Within B1.Layer(1).Isotherm(1).User_Conc_Isotherm(1)
EndWithin Statements written between these
lines will directly access variables
END within the user submodel block of
layer 1 of a flowsheet bed
block named B1

Adding Loop Constructs
• To loop on each node in the column and each component within the
component list the following need to be added:
CONSTRAINTS Collection of valid array
indexes
Global collection of
For i In FDESet Do valid component names
For ii In ComponentList Do
//Just need to add equations
EndFor
EndFor
EndWithin
END
Adding the Equations (1)
• By default a solid film kinetic model is assumed

– Loading W (otherwise written as q) is a function of:
• C if concentration dependent
• Y and P if partial pressure dependent
– For fluid film W is a function of:
• C if concentration dependent
• Y and P if partial pressure dependent
• Eight isotherm parameters are provided to the user to make use of

– Not all need to be used
– Accessed via the column’s specify table
– Two dimensional array
• First index parameter number
• Second index component
• Equations are terminated with a semi-colon ;
– Equations can be written over multiple lines

• For pure component Langmuir isotherm

CONSTRAINTS
For i In FDESet Do
W(i,ii) = IP(1,ii) * C(i,ii) / (1 + IP(2,ii) * C(i,ii));
EndFor
EndFor Remember ;
EndWithin
END
• For an Extended Langmuir isotherm

– Use of implicit SIGMA function
CONSTRAINTS
For i In FDESet Do
W(i,ii) * (1 + SIGMA( IP(2, ComponentList) * C(i, ComponentList)))
= IP(1,ii) * C(i,ii);
EndFor
EndFor
Implicitly sum for all elements
in the specified array
EndWithin
END Note how the equation has
been multiplied out

Compiling the Flowsheet Constraints
• Before the user defined equations can be used they need to be

compiled
• To compile:
– Press F8 with the editor window active
– Right-click the editor window and select Compile
• If there are any syntax errors they will be listed with their line number
in the Simulation Messages window
– When in the editor, the line number is given in the main status bar
• After successful compilation the Specification status indicator should

change from a red down-pointing triangle to a green square
Adding Boiler Text
• If you are regularly using a specific

custom isotherm:
– Create an external text file that contains
the equations you normally include
– Open the editor for the flowsheet
constraints
– Right-click the window
– Select Insert and then File
– Browse for the boiler text file
– The contents will be added at the
current cursor position in the editor
– Compile the inserted equations
• Examples of the isotherm used

have been supplied

Workshop 6
Create the Extended Langmuir isotherm

as a flowsheet constraint
Workshop Objectives
• In this workshop:
– Reuse the last Full flowsheet
– Configure the column to use a user sub-model
– Define an isotherm using flowsheet constraints
– Compile the flowsheet constraints
– Save and execute the new problem

Step 1: Initial Preparations
• Reopen the input file “Full.ada” saved from the last

workshop based on the Full flowsheet
• Open the bed/column configure form and modify the
isotherm used in the layer to “User Multicomponent
Submodel”
• The status
indicator will show
the problem as
now being
under specified
Step 2: Add the Isotherm

Expressions
• Open the flowsheet constraint editor
• Add the following text:
CONSTRAINTS
For i In FDESet Do
W(i,ii) * (1 + SIGMA( IP(2, ComponentList) * C(i, ComponentList)))
= IP(1,ii) * C(i,ii);
EndFor
EndFor
EndWithin
END
A file isotherm.txt is available to insert into the flowsheet constraints


Step 3: Compile, Save, and Run
• We are now ready to compile the equations we have added in the

flowsheet constraints
– Required step as the system is not aware of them until compiled
• If there are syntax error messages, output to the simulation

messages window will help you to identify where the errors are
– Do not forget it could be the line before
– A common error is not to include the line termination character at the
end of an equation
• Save the problem under a different name once there are no syntax
errors
• Execute the dynamic run. We should obtain the same results as
before

Introduction to Aspen Adsorption Cyclic Steady State Models
Part 8 – Cyclic Steady State Models
Objectives
• Discuss and review the cyclic steady state

library models
• Discuss and review the construction of a
flowsheet using cyclic steady state models
building a pressure swing adsorption flowsheet
using the cyclic steady state models

What Are Cyclic Steady State (CSS)

Models?
• Provide direct approach to
cyclic/periodic steady state
dynamic simulation Cycle end state(t N
)
tN
• Full state discretized model to ep
N
St
allow steady-state execution tN-1
Cy
cle
– Spatial discretization uses central
in
Spatial
itia
ls
difference or OCFE approximation Domain t2 Time
ta
p2
te
Ste
(t
Domain
0)
– Time discretization uses backwards t ep
1 t1
S
finite difference approximation t0
– Time and space discretization
reduces requirement to execute a
significant number of dynamic
cycles to determine the periodic
steady state performance
• Models are able to switch from

steady-state run mode
configuration to dynamic run
mode configuration
Discretization Method
A typical column material balance with no dispersion:
 CV  C Q
     0
z t t
Convective
Accumulation
Spatial Discretization Temporal Numerical Integration

e.g., FD, FE, OC, OCFE, etc. Discretization Along Time
(CSS, Dynamic) (CSS Simulation) (Dynamic Simulation)
Spatial Boundary Temporal Periodic Initial Conditions

Conditions Required Conditions Required Required

Cyclic Steady State Models (1)
• Steady state run mode configuration:

– Potentially faster evaluation of processes that require large numbers
of cycles before periodic steady state is reached
– Greater potential in using Aspen Adsorption as a design/rating tool
– Significantly powerful PC configuration is required
– Greater restriction on the size of flowsheet and number of
components modeled (large numbers of equations and non-zeros
thus memory intensive)
• Dynamic run mode configuration has improved underlying numerics

– Improved handling of highly non-dispersed fronts
– Improved runtime speed against equivalent heritage model
• Deliver new features and assumptions on:

– Kinetic models
– Equilibrium models
• But not all functionality in the heritage models is

available
– Most commonly used features have been made available to
cover the broadest range of problems
– Heritage models functionality that is little used has not been
implemented (e.g. reactions)
• Cannot be directly linked to heritage models

• For Cyclic Steady State steady state run execution a

“Use Transpose” option is included in the Linear Solver
(Solver Options) for greater efficiency
• “Use Transpose” option allows execution of matrix
searches row wise instead of column wise, which
reduces memory allocation by the solver
• Use only for steady state runs!
Available Models
• The model library includes the

following Cyclic Steady State models:
– Adsorber
– Heat exchanger
– Single bed approach interaction unit
– Pump/compressor
– Tank/void space
– Valve
• The basic configuration/ specification is

similar to heritage models

CSS Flowsheet Construction
• There are differences in the workflow when constructing a flowsheet

using the CSS models:
– No requirement for boundary feed or product blocks. The flowsheet
boundary condition is defined at un-terminated stream
– Use of global structures to define global arrays
– Use of standard tables for model configuration rather than forms
– Number of discretization elements instead of integration step size when in
steady state run mode configuration
• All models are reverse flow capable
– A new reverse flow scheme is employed
– Avoids many of the heritage model singular problem pitfalls. For example,
connecting two valves or beds directly together
– concept of flow or pressure setters in alternating sequence is no longer
required
• Must use model specific stream connection
Flow Reversal Mechanism
F = f( In.P, Out.P )
Out.Y = In.Y
Out.T = In.T
Defines
Out.H = In.H Yr, Tr, Hr
Mainstream Variables Mainstream Variables
1 F, Y, T, P, H
2 F, Y, T, P, H
3
Accumulation Flow Accumulation
Unit Yr, Tr, Hr Defining Unit Yr, Tr, Hr Unit
(i.e., Tank/Void) Secondary Reverse (i.e., Valve, Bed) Secondary Reverse (i.e., Tank/Void)
Defines Condition Variables Condition Variables
Y, T, H
In.Yr = Out.Yr
In.Tr = Out.Tr
In.Hr = Out.Hr

Workshop 7
Building a Pressure Swing Adsorption Flowsheet
Workshop Objectives
• In this workshop you will:

– Construct a flowsheet for a non-isothermal N2 PSA system
using the CSS set of models
– Examine options/assumptions available
– Practice the configuration/specification of the flowsheet
– Define cyclic operation
– Discover solver options important for the operation of CSS
flowsheets
– Build plots
– Execute a steady-state run

2 Bed N2 PSA Process – Cycle

Description
Stage 1: Stage 2:
60 s 15 s
Stage 3: Stage 4:
60 s 15 s
Step 1: Create a New Problem
• Create a new problem within Aspen Adsorption

• For the rigorous physical properties, reuse the
general.aprbkp file.
• The flowsheet will contain the two following components,
which need to be selected in the Component List.
– N2
– O2

Step 2: Create an Instance of a CSS

Structure (1)
• Add an instance of the CSS_Info

global structure to the flowsheet:
– Open Aspen Adsorption library
Structures folder
– Right-click the CSS_Info structure
– Select Create Instance…
– Name it CSSInfo
• The global structure is used:

– To globally define non-isothermal
operation
– To define the type of run executed
first
– To globally size arrays with
respect to time discretization
nodes
Step 2: Create an Instance of a CSS

Structure (2)
• To examine the contents of the global

structure instanced, go to the Simulation
Explorer and:
– Expand the Flowsheet folder
– Expand the Structures folder
– Double-click the Configuration form
• Set the non-isothermal option to True

– Flowsheet will globally be non-isothermal
• Set the CSSFirst option to True
– A steady state run will be executed before
switching to a dynamic run
• The global structure contains information
regarding:
– CSS execution first
– Global non-isothermal operation
– Number of process steps
– Time nodes per process step
– Switch on global model tearing

Step 3: Construct Flowsheet (1)
• The flowsheet to be constructed is analogous to the full single bed

heritage model flowsheet with the only difference being the use of a
different set of models, prefixed with gCSS_, and connected using
gCSS_Material_Connections
gCSS_Valve gCSS_Valve
gCSS_TankVoid
gCSS_Interaction
(Interacting bed
gCSS_Adsorber representation)
(Reference Bed)
gCCC_TankVoid
gCSS_Valve gCSS_Valve

• Rename the streams accordingly
Step 4: Configure the Adsorber
• The first block to be configured will

be the adsorber Bed1
• To access the configure forms:
– Select the block
– Right-click the block
– Expand the Forms menu item
• Configuration, specification
parameters and variables are
sorted model sections:
– Material balance
– Kinetic model
– Equilibrium model
– Energy balance
– Etc…

Step 4a: Numerics
• Open the Config_Numerics table

– 2nd Order Central Differencing (CFD2)
– Ten Axial nodes
• When defining the number of nodes use integer multiples of the
differencing scheme order
• CFD2 is second order, 10 nodes is 5x order
– Only a single layer so the other options can be ignored
• Relate to defining the boundary conditions between layers
Step 4b: Geometry
• Open the Config_Geometry table

– Vertical bed operation
• Flow through the axis of the cylinder
• Alternative is horizontal where flow is across the tube facial area
– 3.5 cm internal tube diameter
– 35 cm packed length

Step 4c: Adsorbent
• Open the Config_AdsorbentProperty table

– Used to define general physical adsorbent properties
– 1.05 mm particle radius
– 0.35 external voidage, 0.55 internal voidage/porosity
– 911.72 kg/m3 particle density (to specify bulk, change spec)
Step 4d: Material and Momentum

Balance
• Open the Config_MaterialMomentum table

– Use Ergun Equation for the momentum balance
• Pressure drop vs. flowrate relationship
• Ergun Equation very rigorous, cover both laminar and turbulent regimes
– Material balance incorporates a dispersion term
• Possible to neglect dispersion to simplify the model
• Recommended to include some form of dispersion
– Axial dispersion coefficient will be assumed constant
• Possible to estimate from Reynolds and Peclet number

Step 4e: Kinetic Model
• Open the Config_Kinetics table

– A solid film lumped linear resistance kinetic model will be used
• Lumped resistance models only available in this release
– Constant mass transfer coefficients will be assumed
• Arrhenius form also available
– The values of the mass transfer coefficients are:
• N2 = 0.00760501 1/s
• O2 = 0.04476 1/s
Step 4f: Equilibrium
• Open the Config_Equilibrium table

– Partial pressure extended Langmuir 1 isotherm
• Other competitive models available, the names differ to the heritage models
– Isotherm parameters:
• N2: IP1 = 0.00267288, IP2 = 0.136
• O2: IP1 = 0.00267287, IP2 = 0.1413
• The same assumption on isotherm parameter units of measurement exists for
CSS models, need to be aware of the base unit of measurement for pressure,
concentration, pressure, temperature, and loading

Step 4g: Energy Balance (1)
• Open the Config_EnergyBalance form

– Column is assumed non-adiabatic
– Rigorous wall energy balance
• Accounts for the heat sink effect of the wall
• Optionally account for conduction along the wall
• 5mm wall thickness assumed
– Fluid phase conduction to be accounted for
• Solid phase and wall conduction neglected
– Heat of adsorption to be included
• Heat of adsorbed phase to be neglected
• Constant heat of adsorption of -20 MJ/kmol for each species
– Constant gas to solid heat transfer coefficient of 1e-7 MW/m2/K
– Default assumed for all other constants
Step 4g: Energy Balance (2)

Step 4h: Initial Conditions
• Initialization_CSS table
– Not required for this example
– Used to define initial conditions/guesses
– When enabled, able to define initial values for:
• Pressure
• Composition
• Loading
• Temperature
• At each step when steps have been defined
– Execute model’s own initialization script to copy
values throughout the adsorber
– Recommended for more complex problems
• Improved convergence
– Analogous table for when starting in dynamic
configuration
• Must be used if building only dynamic models
Step 5: Define Cyclic Operation (1)
• It is possible to operate a steady state configuration without using

Cycle Organizer
– Define number of steps and time nodes in global structure
– Work through each ancillary block and boundary stream defining step
conditions through their own Configuration table
• In this example Cycle Organizer will be used
– Allows switching from steady state to dynamic configuration
– Single table view of flowsheet wide specifications
– Simplifies step construction
• Cycle Organizer has restrictions when using CSS models

– Steps can only be time driven
– Only manipulate variables with the _spec suffix
– Manipulated variable ramps are not supported
– Only a single cycle description can be actively used

Step 5: Define Cyclic Operation (2)
• Add an instance of Cycle Organizer to the flowsheet

– The specification indicator will now show a square problem
– Under specification was caused by a dependence of the
interaction model to variables equated to by Cycle Organizer
• The approach used for defining the steps is:

– Only use Cycle Organizer to manipulate what specification is
changing from step to step
– Boundary stream conditions will not be included, these will be
specified trough the streams’ own Configuration table
• The proceeding slides will detail the step configuration
Step 5a: Adsorption/Supply to Purge

Step
• 60 second duration
• 5 time nodes
• Manipulated variables:
– VD1.CV_spec = 5e-8 kmol/s/bar
– VD1.Use_spec = 2 (Use CV specification)
– VF1.Use_spec = 1 (Fully open)
– VP1.F_spec = 5.2e-9 kmol/s
– VP1.Use_spec = 3 (Use flowrate specification
– VW1.Use_spec = 0 (Closed)

Step 5b: Blowdown
• 5 time nodes
– VD1.Use_spec = 0 (Closed)
– VF1.Use_spec = 0 (Closed)
– VP1.Use_spec = 0 (Closed)
– VW1.Cv_spec = 1.5e-5 kmol/s/bar
– VW1.Use_spec = 2 (Use CV specification)
Step 5c: Purge with Product Gas
• 5 time nodes
– VF1.Use_spec = 0 (Closed)
– VW1.Cv_spec = 4e-5 kmol/s/bar
– VW1.Use_spec = 2 (Use CV specification)

Step 5d: Repressurize with Feed
• 5 time nodes
– VF1.Cv_spec = 1.4e-5 kmol/s/bar
– VF1.Use_spec = 2 (Use CV specification)
– VW1.Use_spec = 0 (Closed)
Step 5e: Define Interactions and

Generate
• In this single bed approach model there is a forward interaction
between steps 1 and 3
– When interaction is defined, step control for step 3 will be disabled
– Cycle Organizer will ensure step time nodes for each interacting pair
matches
• In preparation for dynamic operation, set the number of cycles to
execute to 20
• Ensure model is configured for Cyclic Steady State mode
– Option found in Cycle Options
• Manipulates the global parameter CSSModelSwitchOn
– Until now the flowsheet has assumed dynamic operation
– Flowsheet will reconfigure
– Arrays dependent of time nodes will resize
• Generate the cyclic task

– Task only used in dynamic mode

Step 6: Define Boundary Streams

Conditions
• Use configuration table in streams SF1, SP1, and SW1
• Feed boundary conditions:
– Composition: 79% N2 , 21% O2
– Pressure: 3.045 bar
– Temperature : 298.15 K
• Product boundary conditions:
– Composition: 95% N2 , 5% O2 (for back flow conditions)
• Waste boundary conditions:
– Composition: 79% N2 , 21% O2 (for back flow conditions)
Step 7: Configure Bed Voids
• Each bed void should be configured as follows:

– Non-adiabatic
– Fluid/surface heat transfer coefficient: 6e-5 MW/m2/K
– Surface/environment heat transfer coefficient: 1e-5 MW/m2/K

Step 8: Build Plots
• Three profile plots for steady-state operation

– Adsorber Nitrogen Profile
– Adsorber Pressure Profile
– Product Profile
• Two profile plots will be three dimensional

– Will be made aware of variable paths to use
– Time profile is obtained from the CSS global structure
• One time plot

– Product composition
– Used only when in dynamic configuration
Step 8a: Adsorber Nitrogen 3D

Profile Plot
• Create three profiles in profile builder
– Nitrogen
• Bed1.Layer(1).Y("N2",*).Value(*) 1st index spatial node, 2nd time node
- If multiple layer – add each layer to the profile variables list
• Two dimensions
• Plotted profile
– Time
• Structures.CSSInfo.tNode(*) translates node to time into cycle
- Note: makes use of data within the global structure
• 1 dimension
• Used for x-axis profile
– Position
• Bed1.Layer(*).xNode.Value(*) translates node to real position
- Note: makes use of spatial domain information
• One dimension
• Used for y-axis profile

Step 8b: Adsorber Pressure 3D

Profile Plot
• Create three profiles

– Pressure
• Bed1.Layer(1).P(*).Value(*) 1st index spatial node, 2nd time node
- If multiple layer – add each layer to the profile variables list
• Two dimensions
• Plotted profile
– Time
• Structures.CSSInfo.tNode(*)
• One dimension
– Position
• Bed1.Layer(*).xNode.Value(*)
• One dimension
• Used for y-axis profile
Step 8c: SS Product Composition

2D Profile Plot
• Create three profiles

– Nitrogen
• SP1. Y("N2",*)
• One dimension
• Plotted profile
– Oxygen
• SP1. Y(“O2",*)
• One dimension
• Plotted profile
– Time
• Structures.CSSInfo.tNode(*)
• One dimension

Step 8d: Product Composition Time

Plot
• To a new time plot add the following variables:

– SP1.Y(“N2”,0)
– SP1.Y(“O2”,0)
• Time node zero is common to both steady state and

dynamic CSS model configurations
– Zero node represents current time for dynamic operation
Step 9: Define Solver Options
• Tolerances tab
– Absolute and relative equation and variable tolerances = 1e-7
– Absolute and relative perturbation tolerances = 1e-6
– Uncheck eliminate equivalence equations
• Strongly recommended for steady state CSS problems
• Integrator tab (for later dynamic run):
– Implicit Euler
– Absolute and relative error tolerance = 5e-4
– Integration error tests only states
– Initial, Minimum, and Maximum step sizes = 1, 1, and 5
• Non-Linear Solver tab

– Residual and variable convergence criteria
– Maximum variable steps = 250

• Close the solver options dialog

• Open the snapshot manager
– Disable the “Save free variable to input file” option
– Snapshots will be used to store any initial conditions
• Embedded kept snapshots employ compression
• Results in smaller input files when storing initial conditions
• Close snapshot manager
• Set simulation message output to high
– Allow observation of convergence progress
– Useful for steady state CSS model runs
• Save the input file
Step 10: Execute Steady State Run
0.942 3.04
0.919 2.82
0.897 2.60
0.875 2.37
0.852 2.15
0.830 1.92
0.808 1.70
0.785 1.47
0.763 1.25
0.741 1.02
CSS_Product_Composition
0.96
0.05
Nitrogen kmol/kmol
Oxygen kmol/kmol
Nitrogen kmol/kmol
0.955
0.045
0.95
0 50 100 150
Time

Step 11: Switch to Dynamic

Operation
• Now that we have a converged steady-state solution it is possible to
execute a dynamic run
– Useful to check validity of found CSS solution
– Steady state profile will be used as the initial condition
• If a steady state configuration run was not executed, the initial conditions would
need to be defined using the Initialization_Dyn tables and initialization scripts for
both the adsorber and tank/void blocks
– Interaction units will make use of calculated profile for first cycle
• Open Cycle Organizer and select Cycle options

– Uncheck the Cyclic Steady State mode box
• The model will now reconfigure
• Maximum variable steps will be restored to default values
• Run mode will change to dynamic
• Set the simulation message output to low
• The model is now ready to execute a dynamic simulation
Step 12: Execute Dynamic Run
Result_Plot_DYN
2e-5
1.15
305
1.05 1.1
1e-5 1.5e-5
F(0) kmol/hr
300
P(0) bar
T(0) K
1
295
5e-6
0.95
290
0.9
0 500 1000 1500 2000 2500 3000

Time Seconds Dyn_Product_Composition
0.96
0.07
SP1.Y("O2",0) kmol/kmol
SP1.Y("N2",0) kmol/kmol
Result_Plot_DYN
305
3.5
0.95
0.06
3
300
P(0) bar
0.94
0.05
T(0) K
2 2.5
295
0.93
0 500 1000 1500 2000 2500 3000

1.5
Time Seconds
290
0 500 1000 1500 2000 2500 3000

Time Seconds
Streams have predefined plots – look in Stream Forms: Result_Plot_CSS and

Result_Plot_DYN

Introduction to Aspen Adsorption Parameter Estimation
Part 9 – Parameter Estimation
Objectives
• Discuss and review parameter estimation

• Estimate isotherm parameters using steady-state estimation
• Complete the workshop to gain familiarity with steady-state
estimation of isotherm parameters from static measurements
• Estimate parameters using dynamic estimation
• Complete the workshop to gain familiarity with dynamic estimation of
mass transfer coefficient from breakthrough measurements

Parameter Estimation
• Model using parameters of unknown value is required to be fitted to

a set of experimental/actual process data
• The model is fitted by finding the appropriate values for the
“adjustable” parameters
• A special run class has been provided with the simulation engine to
allow the estimation of adjustable parameters
• The adjustable parameters with an Aspen Adsorption model are the
variables that have been defined as “fixed”
• All of the experimental data along with the adjustable parameters
can be entered through the estimation interface
Defining Estimation Problems
• A special run class has been

provided within Aspen Adsorption
to execute estimation/data
regression runs
• To submit the experimental data
and to define the adjustable
parameters a table based entry
system has been provided
• The adjustable parameters
andexperimental data are
entered in tables provided in the
tool
• Do not confuse with the older tool
Estimation Module, which
remains for upwards compatibility
reasons only.

Defining Estimated/Adjustable
Parameters
• The variables that can be estimated within the simulation

environment are those that are “Fixed” specification (considered
constant throughout the simulation)
• The simulation environment allows access to all fixed variables in
the model/flowsheet
– Column variables such as voidage, dispersion, mass transfer, and
isotherm parameters
– Custom variables created as part of flowsheet constraints used to
define custom indices or isotherms, for example
• Estimated variables are defined via drag-and-drop operations from

existing tables or variable finder to the estimation interface
Defining Experiments
• Any number of experiments can be defined

– Steady-state or
dynamic experiments
– Experiments can be
made active/inactive
during the next run
– Have their own
weighting
– Contain different
numbers of fixed
(manipulated) and
measured variables

Estimation within Aspen Adsorption
• Aspen Adsorption has two available methods of estimation:

– Steady-State: Typically used to regress parameters from static
equilibrium experiments
• Most rapid to execute
• Fitting of only a single equation, the isotherm
– Dynamic: Used to regress parameters from pulse or breakthrough
experiments
• Dynamic experiments lump many effects together
- Axial dispersion
- Mass transfer resistance
- Isotherm equilibrium
• When fitting isotherm parameters by this approach:
- Determine contribution of axial dispersion via residence time distribution
- Inclusion of experiments under different flowrates that will expose dispersion
or mass transfer effects
Steady-State Estimation

Steady-State Estimation –
Static_Isotherm Model
• A model, Static_Isotherm, for the fitting of static

isotherm/equilibrium data has been provided in the
Utilities folder
• Provides access to all standard isotherms used
within Aspen Adsorption
• Flowsheet only requires a single instance of this
model
• Manipulated variables are component
concentrations, molefractions, pressure and/or
temperature depending on the isotherm form
selected
• Measured variables are component loadings
• Isotherm parameters are the estimated variables
The Static_Isotherm Model
• The Static_Isotherm model allows you to fit isotherms to static data for
the following systems:
– Gas
– Liquid
– Ion Exchange
• The manipulated and estimated variables can be found in the Specify

table
Select system
• The measured
variables are found
in the results table
The relevant
option box
becomes
available

Defining Estimated Variables (1)
• To define the
estimated variables,
drag the isotherm
parameters from the
Static_Isotherm
block’s Specify table
onto the estimation
interface’s Estimated
Variables
tab
• At the end of a run
the estimated value
will be displayed
Defining Estimated Variables (2)
• Within the estimation interface you are able to:

– Define the initial value/guess of the variables to be
estimated
– Set the unit of measurement
– Provide more reasonable lower and upper solution
bounds
Are negative Langmuir isotherm parameters realistic?

Creating Steady State Experiments
• To define a steady state experiment, select the Steady

State Experiments tab and pres the New button
• You are able to:
– Provide a name for the experiment
– Supply an experimental weighting
– Copy from a previously
defined experiment
(useful when entering
multiple experiments)
Defining Fixed Variables
• The fixed
variables in an
experiment define
the experimental
condition
• These can be
defined via drag-
and-drop from a
table (a Specify
table for
example) or
variable finder

Defining Measured Variables
• The measured variables can also be defined via drag-

and-drop operations from a table (the Results table for
example) or variable finder
• Each measured
variable can have
an individual weighting
• The predicted results
are given at the end of
an estimation run
Solver Options
• Accessed through the Options button

• The estimator can use either Least Squares (default) or Maximum
Log Likelihood
• The solver can be NL2SOL (default), FeasOpt, HYPSQP, VF13 or
Nelder-Mead
• Set the relative and absolute
function tolerance at least 1
order of magnitude larger
than the system general
tolerances

Executing an Estimation Run (1)
• To execute a steady-state estimation run:

– Set the run mode to estimation
– Press the run button
• Select Interrupt from the Run menu to stop a steady state estimation
run
• At the end of an estimation run the variables specified to

be estimated will contain the newly estimated values
• A subsequent estimation run will use the new values as
the new initial guess
Executing an Estimation Run (2)
• In some cases a solution may not be achieved

• Normally due to:
– The initial solution point being too far from solution
(remedied by changing all the isotherm parameters from the
default value of 1 to different values)
– The solution may exhibit multiple solutions
(again may be remedied by moving the initial solution point)
• It is usual good practice to execute a steady-state run

before hand to ensure that the model does not fail at its
initial condition

Workshop 8
Steady-State Estimation of Isotherm Parameters from Static

Measurements
Workshop Objectives

– Make use of the static isotherm library model
– Use the estimation interface
• Add estimated variables
• Enter experimental data
– Adjust solver options to suit steady-state estimation problems
– Execute an estimation run

Description
• The adsorption behavior of Nitrogen on an 5A Molecular

Sieve was investigated
• For this, the total Nitrogen pressure was altered
• The gas was brought into equilibrium with the absorbent
• The resulting loading was measured
• A Langmuir 1 isotherm was assumed to reflect the
behavior
IP1,i Pyi
wi 
1 IP2,i Pyi
Step 1: Start A New Problem
• Start Aspen Adsorption (if it is not already open)

• Start a new problem
– Select the New option in the File Menu
– Press the New button on the toolbar

Step 2: Define The Component List
• So far we have made use of component lists that are linked to a

physical property system
• When using the Static_Isotherm model no physical property data is
required
• The default component list can be converted to a component set,
just a list of component names
• Right-click the default component list and select Convert. Accept the
conversion
• Double-click the Default component list to open the list editor
• Add the component N2 to the list
Step 3: Build The Flowsheet
• Drag an instance of the Static_Isotherm model onto the

flowsheet from the Utilities folder of the Adsim library
• Open the configure form for the static isotherm block
“B1”
• Change the isotherm form to Partial Pressure based
Langmuir 1
• No other changes are required at this stage
(no need to open the Specify table)

• The solver tolerances are normally recommended to be

set quite tightly to aid convergence
• Set the following tolerances to 1e-9
– Absolute Variable Tolerance
– Relative Variable Tolerance
– Absolute Equation Tolerance
– Variable Change Tolerance
Step 5: Define The Problem (1)
• We now need to enter the following experimental data, resulting

from six experiments, into the system.
Pressure Loading
(bar) (kmol/kg)
1 0.000321
2 0.000558
3 0.00074
4 0.000885
5 0.001002
6 0.001099
A spreadsheet “SSEstWork.xls” is available for Excel users

• We estimate the following variables:

– B1.IP(1,”N2”), initial guess 1, lower bound 0
– B1.IP(2,”N2”), initial guess 1, lower bound 0
• We manipulate
– B1.P
• We measure
– B1.W(“N2”)
• Modify the following estimation solver options:

– Maximum iterations = 500
– Reporting level = High
– Relative function tolerance = 1e-8
– Absolute function tolerance = 1e-8
– Solution tolerance = 1e-8

Step 6: Save And Run The Problem
• Save the problem as “SSEstWork.ada”

• Set the run mode to estimation
• Press the run button
• In a short time the estimation run will complete
Step 7: Examine The Results
• The results will be displayed under the Estimated Variables tab of

the estimation interface and also echoed in the Simulation
Messages
window
– B1.IP(1,”N2”) = 3.5e-4
– B1.IP(2,”N2”) = 0.1348

Dynamic Estimation
Dynamic Estimation
• Dynamic estimation involves longer simulation times

– Makes use of a full process model
– Method involves multiple dynamic runs
• Experimental conditions easier to configure

– Use of existing beds/columns
– Use pulse test for high commodity products or breakthrough for
large scale bulk components
• Dynamic estimation lumps many effects together
– Use multiple experiments at differing flows and concentrations
to aid in differentiating from isotherm, mass transfer, and
dispersion effects

Defining Dynamic Experiments
• The approach used to define

dynamic experiments as similar
to steady state experiments
except we make use of the
Dynamic Experiments tab
• The measurements are now
with respect to time
• Each measured time point can
have an individual weighting
• Measurements can be copy-
and-pasted from Excel
Executing Dynamic Estimation (1)
• If executing a dynamic estimation run it is always advisable to:

– Observe the same solution tolerance criteria as steady-state
estimation
– Do not rely on a single set of experimental data to achieve accurate
results
– Try to start with a sensible initial condition
– Try to estimate variables that:
• Are sensitive to changes in the experiment’s fixed variables
• Can produce significant changes in the experiment’s measured variables
• Singular convergence is typically an indicator of the measured

variables being independent from the estimated variables

Executing Dynamic Estimation (2)
• It is good practice to execute a dynamic run using the

model initial conditions to ensure that initial convergence
can be achieved
Workshop 9
Dynamic Estimation of Mass Transfer Coefficient from Breakthrough

Measurements

Workshop Objectives

– Open a predefined problem
– Create dynamic experiments
– Execute a dynamic estimation run
Description
• Isotherm parameters for Nitrogen and Oxygen on Carbon Molecular

Sieve have already been determined from static experiments
(Extended Langmuir isotherm assumed)
• It was assumed that the mass transfer kinetic model best suited for a
full adsorbent layer simulation is lumped linear solid film
• However, overall mass transfer coefficients for this system are
known
• A single breakthrough experiment was carried out
– Bed initially saturated with Nitrogen
– Feed rate and pressure constant
– Feed composition at air ratios
– The outlet composition of the adsorbent layer was monitored

Step 1: Open The Predefined Model
• Open the supplied Aspen Adsorption Language file

(*.ada) “Workshop9Start.ada”
– Contains a simple flowsheet
– Already fully configured and specified
– Initial guess for both Mass Transfer Coefficients was 0.1 1/sec
• Familiarize yourself with the flowsheet
Step 2: Define The Experiment (1)
• The following Exit Molefraction

experimental data Time (s) N2 O2
was obtained: 0 1.000 0.0000
60 0.9865 0.0135
120 0.9358 0.0642
A spreadsheet 180 0.8789 0.1211
“DynEstWork.xls” 240 0.8403 0.1597
is available 300 0.8189 0.1811
360 0.8073 0.1927
420 0.8010 0.1990
480 0.7973 0.2027
540 0.7949 0.2051
680 0.7920 0.208
820 0.7908 0.2092
940 0.7904 0.2096

• The estimated variables are:

– B1.Layer(1).MTC(”N2”), initial guess 0.1
– B1.Layer(1).MTC(”O2”), initial guess 0.1
Look in the specify table for the layer in the bed/column
• There was only a single experiment
• There are no fixed variables
– The problem is configured for the experimental conditions
• The measured variables are:

– P1.Y_Fwd(“N2”)
– P1.Y_Fwd(“O2”) Do we need to include both?
Look in the results table for the product unit for these variables
• In this case we can operate at the default solver

tolerances as used for typical dynamic simulations within
Aspen Adsorption
• However, modify the following estimation solver options:
– Maximum iterations = 500
– Reporting level = High
– Relative function tolerance = 1e-6
– Absolute function tolerance = 1e-6
– Solution tolerance = 1e-6

Step 3: Save And Execute The

Estimation Run
• Save the input file as “DynEstWork.ada”

• Set the run mode to estimation
• Press the run button
• Dynamic estimation takes significantly longer to execute
than steady state estimation as multiple dynamic runs
with sensitivity calculations must be performed
Step 4: Examine The Results (1)
• The following results should be obtained after a

successful estimation run:
– B1.Layer(1).MTC(”N2”) = 7.031e-3
– B1.Layer(1).MTC(”O2”) = 4.457e-2
Estim atio n: Measured Variable - Dynamic_Set_1 Estim atio n: Measured Variable - Dynamic_Set_1
0.05 0.1 0.15 0.2 0.25
1
Observed
0.8 0.85 0.9 0.95
P re dic ted
Observed
P redicted
0 100 200 300 400 500 600 700 800 900 1000 0 100 200 300 400 500 600 700 800 900 1000
Time : Se co nds Time : Se co nds

Step 4: Examine The Results (2)

Introduction to Adsorption Diagnostic and Solution Methods
Part 10 – Diagnostic and

Solution Methods
Objectives
• Explain the equation solver group decomposition and

variable equivalencing
• Explain non-linear system resolution
• Discuss and review best practices for user defined
equations
• Introduce troubleshooting techniques and diagnostic
tools

Group Decomposition
• Aspen Adsorption analyzes the equations of the system to

decompose into block triangular form:
– Trivial example: solve x + y = 3 and x2 = 4
• Improves robustness and speed

• Groups can be of different types:
– Explicit, Linear, Non-linear (Analytical or Numerical)
– Torn group
• Optional handling of procedure to cause further decomposition
• Decomposition can be turned off
– For example, for testing exported models as used in Aspen Plus
Group Decomposition Example (1)
• Model code:
MODEL m1
x1, x2, x3, x4, x5 as realvariable;
x1 : 1, fixed;
x2 : 2.71;
x3 : 7.3441;
x4 : 8.3441;
x5 : 10.3;
eq1: x2 / exp(x1) = 1;
eq2: x4 = x2^2 + x3;
eq3: 5*x4 + 3*x3 = 44.72;
eq4: x5 = x1 + x3 + x4;
END

Group Decomposition Example (2)
• x1 fixed : 3 groups • x5 fixed: 1 group
• Conclusion
Different specifications will cause different resolution
paths (for example, rating vs. sizing calculations)
Variable Equivalencing
• Applied before group decomposition

• Idea: Eliminate equations like x = y by replacing every
occurrence of x and y with a new variable
AM_Equivalence<nnnn> ("compression")
– See online help for complete explanation
• Cause convergence path to be different

• Equivalences can be examined in Diagnostic (in
Simulation Explorer)

Convergence Tests
• Aspen Adsorption non-linear convergence tests are

based on infinite-norm:
– infinite-norm : ||x|| = max( abs( xi ) )
• 2-norm: ||x||2 = sqrt( sum( xi ) ) [L2, Euclidian norm]
• 1-norm: ||x||1 = sum( abs( xi ) ) [L1]
• Residuals: ||f(x[k])|| < equation tolerance

• Variables: || x[k+1] - x[k] || < tolerance
– tolerance = abs tolerance + abs( xi ) * rel tolerance
– Test is based on scaled value of x
Convergence Criteria Selection
• Tolerances
• Non Linear Solver options
– Residual
– Variable
– Residual and Variable
• Most stringent
– Residual or Variable
• Least stringent
– Max iterations

Modifications to Newton Method
• Bounds handling
– Max range fraction
– Max approach to bound
– Clip factor
• Robustness modifications
– Step reduction
– Control progress towards solution (backtracking)
– Dog Leg (alternative search direction)
• See Solver Options, Non-Linear
Modeling Advice (1)
• Important when writing custom flowsheet constraints

• Avoid divisions
– x/y = a is ill conditioned if y is close to zero
– Rewrite the equation x = a*y
• Be careful with run-time conditions

– Must be continuous
• Log transform
– Example: [H+] [OH-] = 10-14
• Direct form : h*oh = 1e-14
• Scaled form: h*oh*1e14 = 1
• Log form: log10(h) + log10(oh) = -14

Modeling Advice (2)
• Be careful with power operator

– x^y leads to problems if x is negative or zero
– use (abs( x ) + epsilon)^(y-1) * x for a more robust formulation
• Be careful with empirical correlations

– Examples:
• The laminar friction factor correlation (f = 64/Re) leads to a division by
zero when Re is zero!
• Discontinuities in correlations
– Typically you will need to provide smooth approximations and
invent reasonable extrapolations to handle these cases
Equation Scaling
• Refers to multiplying the lhs and rhs with the same factor
• Large factor (for example, 1e6) will force residual to be
much smaller at convergence
• Effective if convergence is tested on residuals
• Example:
F *x = Q *y; F *x*1e6 = Q *y * 1e6;

Variable Scaling
• Scaling of variables is always applied, but the default

scaling factor is 1 (this is inherited from the RealVariable
type)
– Suggestion 1: Select base units of measurement that make the
nominal value of the variable reasonably close to 1 (between
1e-3 and 1e3)
– Suggestion 2: Variable scale  variable nominal absolute value,
where nominal value: expected order of magnitude of the
variable (based on engineering judgement)
Steady State Convergence

Troubleshooting
• Location of the problem (symptom)

– Group decomposition: failed group is shown with a red mark
– Equations: look at largest residuals
– Variables: look at variables on bounds
• Cause of the problem

– Check variables calculated in groups above
– Check specifications of fixed variables
– Check equations
– Check variable bounds

Convergence Troubleshooting
• Most convergence problems can be solved by model

changes rather than solver option changes
• Try starting with an easier set of specifications
• When changing solver options, change only one setting
at a time (read online help for description of the
parameters)
Solver Options, Diagnostics
• Solver reporting level:

– Medium should be ok for most problems
– High shows a bit more (bounds)
– Maximum: troubleshooting only!
• Need to change message options to send output to file
• Watch group/torn group
– Only for dynamic simulations – turns solver level to high for selected
group
• Check procedure derivative:
– Compare analytical derivatives returned by procedures to derivatives
calculated using numerical perturbation
– Useful if you have a procedure returning derivatives

Convergence Troubleshooting
Options
• Solver Options, Non-linear tab

– Diagnostics:
• Highest Residuals above tolerance (suggested value: 5)
• Highest Variables steps (suggested value: 5)
– Convergence
• Convergence criterion
- Try residual and variable if solution does not look right
- Scaling problem example: 1E-6*(x - y) = 0 vs. x-y = 0
• Maximum divergent steps
- It may help to increase this (suggested value: make it equal to
the maximum number of iterations)
The End . . . Congratulations!
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ES288

AspenTech Customer Education

Course Number ES288.071.07

Product Name Product Name V7.0 Install Mapping Required Install

AspenTech Product Name and Installation Guide

For more information, contact your regional AspenTech Support Center

AspenTech Product Name and Installation Guide

Graphical User Interface Basics 1–1

Physical Properties 2–1

Introduction to the Heritage Gas Model Library 3–1

The Simple Flowsheet 4–1

The Intermediate Flowsheet 5–1

Full Cyclic Flowsheets 6–1

Defining Custom Isotherms 7–1

Cyclic Steady State Models 8–1

Parameter Estimation 9–1

Diagnostic And Solution Methods 10 – 1

2010 AspenTech. All Rights Reserved. i Aspen Technology, Inc.

Introduction to Aspen Adsorption®

Course Number: ES288.071.07

©2010 AspenTech. All Rights Reserved.

• Develop familiarity with the Aspen Adsorption application in order to

• Demonstrate how to use the Adsorption Gas model library for:

• Apply acquired knowledge through hands-on workshops

©2010 AspenTech. All Rights Reserved. Slide 2

©2010 AspenTech. All Rights Reserved. Page 1 Aspen Technology, Inc.

Aspen Adsorption is…

• An equation-oriented flowsheet simulation system for:

• Typically used for:

• Its ultimate aim is to improve design and reduce capital and

©2010 AspenTech. All Rights Reserved. Slide 3

Aspen Adsorption is…

• Based on Aspen Custom Modeler Technology

• Simple equation orientated modeling language

©2010 AspenTech. All Rights Reserved. Slide 4

©2010 AspenTech. All Rights Reserved. Page 2 Aspen Technology, Inc.

Course Agenda - Day 1

• Graphical User Interface Basics

©2010 AspenTech. All Rights Reserved. Slide 5

Course Agenda – Day 2

• Creating Intermediate Flowsheets using

©2010 AspenTech. All Rights Reserved. Slide 6

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Course Agenda – Day 3

• Introduction to the Cyclic Steady State Model

©2010 AspenTech. All Rights Reserved. Slide 7

• Philosophy is to learn by doing

– Learning by doing workshops and asking questions as you

©2010 AspenTech. All Rights Reserved. Slide 8

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Contact Information (NALA)

• Technical Support Hotline

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Contact Information (EMEA)

Phone: 0800 376 7903 (UK Only)

• Technical Support Hotline

©2010 AspenTech. All Rights Reserved. Slide 10

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Contact Information (APAC)

Phone: 65 6395 3942

• Technical Support Hotline

©2010 AspenTech. All Rights Reserved. Slide 11

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Part 1 – Graphical User Interface