AspenPlusCatCrackerV7 3 Usr

Aspen Plus CatCracker
User's Guide
Version Number: V7.3

March 2011
Copyright (c) 2000-2011 by Aspen Technology, Inc. All rights reserved.
Aspen Plus CatCrackerTM, Aspen Plus ReformerTM, Aspen Plus HydrocrackerTM, Aspen Plus HydrotreaterTM, Aspen
Plus, Aspen PIMSTM, aspenONE, the aspen leaf logo and Plantelligence and Enterprise Optimization are
trademarks or registered trademarks of Aspen Technology, Inc., Burlington, MA.
All other brand and product names are trademarks or registered trademarks of their respective companies.
This document is intended as a guide to using AspenTech's software. This documentation contains AspenTech
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Although AspenTech has tested the software and reviewed the documentation, the sole warranty for the software
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Contents
About This Document ..............................................................................................1
Who Should Read This Guide .............................................................................1
Technical Support ............................................................................................1
Introducing Aspen Plus CatCracker .........................................................................3
Overview.........................................................................................................3
1 Using Aspen Plus CatCracker...............................................................................4
Starting Aspen Plus CatCracker ..........................................................................4
The Sheets of the User Interface ........................................................................5
General Guidelines for Using the Excel Interface ..................................................5
Saving and Loading Data Files ...........................................................................6
Loading Data Files ..................................................................................7
Saving and Loading Parameter or Simulation Worksheets......................................7
2 The User Interface ..............................................................................................9
The Command Line Window...............................................................................9
Abort Button........................................................................................ 10
No Creep Button .................................................................................. 10
Close Residuals Button.......................................................................... 10
Close Button ........................................................................................ 10
Manual Access to the Command Line ...................................................... 11
Toolbar and Menu .......................................................................................... 11
Startup Aspen Plus CatCracker Submenu ................................................ 12
File Submenu....................................................................................... 15
Setup Cases Submenu .......................................................................... 16
Worksheets in the Aspen Plus CatCracker Workbook........................................... 17
Introduction Worksheet......................................................................... 17
Options Worksheet ............................................................................... 18
Param Worksheet................................................................................. 21
Analysis Worksheet .............................................................................. 35
Feed Blends Worksheet ......................................................................... 36
Cat Blend Worksheet ............................................................................ 38
Simulation Worksheet ........................................................................... 38
LP Vectors Worksheet ..................................................................................... 43
PIMS Vectors Workshet ......................................................................... 45
PIMS Table Worksheet .......................................................................... 45
Cases Worksheet.................................................................................. 46
Optimize Worksheet ............................................................................. 46
Profit Worksheets ................................................................................. 47
Profit Report Worksheets....................................................................... 48
Hidden Worksheets .............................................................................. 48
Contents
iii
3 Specifying Data .................................................................................................50

Overview....................................................................................................... 50
Setting Up Case Studies.................................................................................. 50
Before You Start .................................................................................. 51
Specifying Varied and Reported Variables................................................ 51
Setting up Optimizations ................................................................................. 53
Independent Variables .......................................................................... 53
Bounds ............................................................................................... 54
Setting up Objective Functions............................................................... 54
Setting up Optimization Variables and Bounds ......................................... 57
Setting Up LP Vector Calculations ..................................................................... 59
4 Running Cases...................................................................................................60
Case Types.................................................................................................... 60
Running Cases from the CatCracker Toolbar ............................................ 60
Running Cases from the CatCracker Menu ............................................... 61
Solver Settings .............................................................................................. 61
Running a Parameterization Case ..................................................................... 62
Aspen Plus CatCracker Options .............................................................. 63
Entering Data for Parameter Cases ......................................................... 66
Running the Parameter Case ................................................................. 67
Running a Simulation Case .............................................................................. 68
Running Multiple Cases ................................................................................... 69
Running the Case Study ........................................................................ 69
LP Vectors Option................................................................................. 70
Running an Optimization Case ......................................................................... 70
Solving the Optimization ....................................................................... 70
Changing the Behavior of the DMO Solver ............................................... 72
LP Vector Generation ...................................................................................... 72
Running LP Vector Generation................................................................ 72
5 Advanced Topics................................................................................................74
Parameter Case Analysis ................................................................................. 74
Parameter Options on Options Worksheet ............................................... 74
Param Sheet Input - Key Operating Data ................................................ 76
Param Sheet Input - Feed Data........................................................................ 78
Param Sheet Input - Heavy Liquid Product Streams.................................. 80
Param Sheet Input - Catalyst Data ......................................................... 80
Feed Blends Sheet Review..................................................................... 80
Cat Blend Sheet Review ........................................................................ 81
Analysis Sheet Review .......................................................................... 81
Model Tuning ................................................................................................. 82
Heat Balance Tuning............................................................................. 82
Over-cracking ...................................................................................... 85
Catalyst Makeup versus MAT ................................................................. 90
Adding New Catalysts ........................................................................... 91
Work Process....................................................................................... 92
Unhiding the CST Factors Worksheet ...................................................... 92
Adding Catalyst Data ............................................................................ 92
Re-hiding the CST Factors Worksheet ..................................................... 93
Feed Characterization ..................................................................................... 93
iv
Contents
Feed Properties .................................................................................... 94

Selecting Feeds and Entering Property Information................................... 94
The Aspen Plus CatCracker Engine.................................................................... 96
6 EO Modeling Background and Examples ............................................................98
Equation-Oriented Modeling............................................................................. 98
Pressure Drop Model Example................................................................ 98
Model Specifications and Degrees-of-Freedom ......................................... 99
Modes and Multi-Mode Specifications .................................................... 100
Measurements and Parameters ............................................................ 100
Changing Specifications with Combo Boxes ........................................... 101
Optimization ...................................................................................... 102
DMO Solver Background................................................................................ 103
Successive Quadratic Programming (SQP) ............................................. 103
Changing DMO Parameters ............................................................................ 104
Basic DMO Parameters........................................................................ 104
DMO Command Window Output and Log Files .................................................. 105
DMO Solver Log Files .......................................................................... 106
ATSLV File Problem Information ........................................................... 106
7 Troubleshooting ..............................................................................................111
Aspen Plus CatCracker Stops Responding ........................................................ 111
Resetting Connection to the Aspen Plus Server ................................................ 111
Error Recovery for Parameterization ............................................................... 112
Error Recovery for Simulation ........................................................................ 113
Solver Performance ...................................................................................... 114
Dealing with Infeasible Solutions.......................................................... 114
Scaling ............................................................................................. 115
Dealing with Singularities .................................................................... 115
Notes on Variable Bounding................................................................. 117
Run Time Intervention ........................................................................ 118
The Model Is Not Solving............................................................................... 118
Licensing Errors ........................................................................................... 118
8 The FCCU Model...............................................................................................120
Overview..................................................................................................... 120
Twenty-One-Lump Kinetics............................................................................ 120
Sulfur Distribution ........................................................................................ 125
Coke Production and Handling ....................................................................... 126
Kinetic Coke ...................................................................................... 127
Metals Coke....................................................................................... 127
Feed Source Coke .............................................................................. 127
Stripper Source Coke (Occluded Coke).................................................. 127
Material Balance Reconciliation ...................................................................... 128
FCCU Model Configuration ............................................................................. 129
Risers ............................................................................................... 130
Reactor ............................................................................................. 131
Regenerator ...................................................................................... 132
Stripping Zone Model.......................................................................... 133
Catalyst Standpipe, Slide Valve and Transfer Line .................................. 133
CatCracker Nozzle System................................................................... 134
Contents
Simple Fractionation ..................................................................................... 134

Aspen Plus CatCracker Input Data Requirements.............................................. 135
Feed Blending .................................................................................... 135
Index ..................................................................................................................139
vi
Contents
About This Document
This chapter includes the following information:
Who Should Read This Guide
Technical Support
Who Should Read This Guide

This document is designed to be used by users of Aspen Plus CatCracker,
formerly known as Aspen FCC, in conjunction with the Aspen RxFinery family
of products, including Aspen Plus Reformer, formerly known as Aspen CatRef,
Aspen Plus CatCracker, Aspen Plus Hydrocracker, formerly known as Aspen
Hydrocracker, and Aspen Plus Hydrotreater, formerly known as Aspen
Hydrotreater.
Technical Support
AspenTech customers with a valid license and software maintenance
agreement can register to access the online AspenTech Support Center at:
http://support.aspentech.com
This Web support site allows you to:
Access current product documentation
Search for tech tips, solutions, and frequently asked questions (FAQs)
Search for and download service packs and product updates
Submit and track technical issues
Send suggestions
Report product defects
Review lists of known deficiencies and defects
Registered users can also subscribe to our Technical Support e-Bulletins.

These are used to alert users to important technical support information such
as:
Technical advisories
Product updates and releases
About This Document
Customer support is also available by phone, fax, and email. The most up-todate contact information is available at the AspenTech Support Center at
http://support.aspentech.com.
About This Document
Introducing Aspen Plus

CatCracker
Overview
Aspen Plus CatCracker, formerly known as Aspen FCC, is AspenTech's stateof-the-art Fluidized Catalytic Cracking Unit simulation system that can be
used for modeling and optimizing a CatCracker unit in petroleum refineries.
Aspen Plus CatCracker also provides full Windows interoperability to facilitate
process and design engineers work processes. Aspen Plus CatCracker is part
of the Aspen Engineering Suite of process design, simulation, and
optimization tools.
Introducing Aspen Plus CatCracker
1 Using Aspen Plus

CatCracker
The following section explains the basics of using Aspen Plus CatCracker.
Starting Aspen Plus CatCracker

1
From the Windows Start menu, click Programs | AspenTech | Process

Modeling <version> | Aspen Plus Based Refinery Reactors | Aspen
Plus CatCracker.
This launches Excel and opens the Aspen Plus CatCracker GUI.
2
When prompted by Excel, click the Enable Macros button.
Note: Aspen Plus CatCracker does not support having multiple versions of
itself or Aspen Plus installed at the same time.
When the Aspen Plus CatCracker workbook is loaded, there is no active

connection to the Aspen Plus CatCracker model, which is an Aspen Plus
flowsheet. The workbook consists of several spreadsheets where various data
1 Using Aspen Plus CatCracker
can be entered and retrieved. The application also creates a new menu on the
Excel menu bar called AspenPlusCatCracker. This menu provides access to
all of the GUIs primary functions including connecting to the model. Through
the Startup Aspen Plus CatCracker submenu, you can:
Load the flowsheet
Modify startup options
Reset the Aspen Plus connection
Most of the other menu commands will be inactive until the flowsheet is
loaded. For more information, refer to Startup Aspen Plus CatCracker
Submenu. on page 3-3.
The Sheets of the User

Interface
When Aspen Plus CatCracker is started for the first time, the default
spreadsheet is the Introduction sheet. You can navigate to other data entry
or results areas by selecting the appropriate tab at the bottom of the Excel
window.
You can open a number of the sheets, including the LP Vectors, Cases,
Optimize and the Profit sheets, by selecting the corresponding item from
the AspenPlusCatCracker | Setup Cases menu as shown below.
For more information about these sheets, see The User Interface.
General Guidelines for Using

the Excel Interface
Most of the features of Excel are available in the Aspen Plus CatCracker
workbook. However, you should only use these features with an
understanding about the overall functioning of the workbook. This section
provides an overall description of the workbook and functioning. Other
sections provide more detail about the worksheets that you will normally use
for running the Aspen Plus CatCracker model.
Here are some things to consider as you use the workbook:
The only fields that you can make an entry in that the model will use are
those colored blue.
Entries into number fields that are not colored blue will be overwritten by
the workbook after a case is executed.
If you use a formula in a field that is colored blue, it will be overwritten

after a case is executed; therefore, enter only values in these fields.
If you change an option with a combo box, the color-coded fields are not
automatically updated; you must click the
button on the Aspen Plus
CatCracker toolbar that will appear after you connect.
If a case does not converge, the calculation engine will contain a starting
point that is not good for subsequent cases.
Use the file save commands to frequently save calculations. These will be
needed to restore a case if the problem does not converge.
The data you enter into the Parameter and Simulation worksheets is
automatically saved by the workbook when a case is run and can be
retrieved after you restore a case to create a good starting point for the
calculation engine.
The model is an equation-based model and needs a good starting point to

converge. Therefore, be careful about large changes in the independent
variables (color coded blue).
These guidelines will be become more meaningful as you read the material in
this section and in the sections about specific cases.
You can save the data file and load the file from the buttons provided on the
CatCracker toolbar. You can also save and load the file using the commands
on the AspenPlusCatCracker | File menu. You can make any run by
selecting the run type from the dropdown box or from the commands on the
AspenPlusCatCracker | Run Cases menu.
Saving and Loading Data Files

It is frequently desirable to save the data in the CatCracker model, because
the default when the model is started is to load the base problem data. Once
the model has been tuned to your data, you can save data to use as the new
starting point.
To Save CatCracker Model Data:

1
On the Aspen Plus CatCracker toolbar, click the Save User Data
button.
-orSelect the AspenPlusCatCracker | File | Save Case Data menu
command.
The Save User Data to File dialog box appears
Enter the path and filename; then click Save to return to the Save User
Data to File dialog box.
Click Save to save the model data.
Note: You can save all of the data currently in the model or just the input
data from the spreadsheet. Typically, you use the default option to save all of
the model data. The data is saved to an ASCII file, which can be greatly
compressed to save disk space.
Loading Data Files

To load data saved to an ASCII file using the Save Case
Data command:
1
On the Aspen Plus CatCracker toolbar, click the Load User Data
button.
-orSelect the AspenPlusCatCracker | File | Load Case Data menu
command.
The Load User Data from File dialog box appears.

2
Browse to the file of interest.

-orType in the file name and path directly in the filename and path text
boxes.
Click Load to load the values from the data file into the CatCracker
flowsheet.
Saving and Loading Parameter

or Simulation Worksheets
You can save and load just the parameter and simulation worksheets at any
time and retrieve them later.
This option is useful if you think that your future Parameter or Simulation run
is a big change and, therefore, the problem might fail. In this case, you can
save your input sheet and load it again to start back from a good solution.
To Save Your Input Worksheets:
From the menu, click Aspen Plus CatCracker | File | Save User Input
Sheet.
To Load Your Input Worksheets:
From the menu, click Aspen Plus CatCracker | File | Load User Input
Sheet.
Both parameter and simulation worksheet are updated when the command is
executed.
2 The User Interface
The Aspen Plus CatCracker User Interface consists of three major

components:
The Command Line Window.
The Menu and Toolbar.
THe Worksheets.
The Command Line Window

The Aspen Plus Command Line window displays the output of commands
sent to the Aspen Plus CatCracker model. It appears automatically when
loading Aspen Plus CatCracker and when running cases. After connecting to
the CatCracker flowsheet, you can also manually open this window by
selecting the AspenPlusCatCracker | Tools | Display Command Line
menu command.
When Aspen Plus CatCracker is loading, the Command Line window appears
briefly, letting you observe the commands that are being sent to the model
during the flowsheet instantiation. You will not be able to access any functions
on the command line at this time.
When a case is running, the Command Line window opens automatically and
lets you observe the commands that are being sent to the model and the
convergence path of a solution. When the command line opens automatically
in these instances, you can use only the Abort, No Creep, or Close
Residuals buttons.
Abort Button
Click the Abort button to abort the solving of a case.
If you click the Abort button while a case is running, you must wait until the
following messages appear in the command line window:
Error return due to an ABORT message from the user

communications file DMO.MSG
Problem failed to converge
You can now click the Close button to close the command line window and
return to the model. You should then load a data file to ensure the next case
starts from a good converged solution.
No Creep Button
When running a case, the default is to creep the solver (take small steps) for
a few iterations to provide robust behavior. Once you have gained experience
with the model and are confident that a particular case will solve well without
the default number of creep steps, you can manually turn the creep steps off
by clicking the No Creep button.
You can click the No Creep button while a problem is converging. This causes
the solver to eliminate the creep in the next iteration.
Close Residuals Button

Use the Close Residuals button to have the model close the residuals
without minimizing the objective function convergence. You might find this
useful in cases where the objective function very nearly reaches a maximum
value, but the convergence of the objective does not close.
Close Button
This button closes the Command Line window and returns you to the user
interface.
Click the Close button only:
10
After a run has failed to converge.
If you aborted a case and the command line message run aborted by
the user appears.
If you opened the Command Line window manually, and you have
finished using it.
Manual Access to the Command Line

After connecting to the CatCracker flowsheet, select the
AspenPlusCatCracker | Tools | Display Command Line menu command.
The Aspen Plus command line window appears. When you open the command
line in this fashion, you have immediate access to the Close button. You can
also enter valid commands on the command line.
The Abort, Finish, and Close Residuals buttons have no effect when the
command line has been opened manually unless the solve command is
invoked to run Aspen Plus. The Close button will close the command line
window and return to the Excel spreadsheet. While the command line window
is open, you will not be able to access the Excel spreadsheet.
The command line window can be a very powerful tool in trouble-shooting
problems since the commands sent to the model and the solutions of the
model will be stored in the buffer. You can scroll through the buffer (the top
window of the command line) to see convergence paths and any error
messages generated when trying to solve a problem.
Toolbar and Menu

When the Aspen Plus CatCracker workbook is selected, Microsoft Excel is
loaded and CatCracker adds a new menu to the Excel menu bar labeled
AspenPlusCatCracker. This menu contains commands that activate VBA
macros within CatCracker. There is also an Aspen Plus CatCracker toolbar
which only appears once the workbook is connected to the Aspen Plus
CatCracker flowsheet.
This section explains the features that are available from the Aspen Plus
CatCracker menu and toolbar. Many of the commands are associated with the
cases for CatCracker modeling. Details about these commands are located in
the chapters of this manual describing the cases.
When you select AspenPlusCatCracker on the Excel menu bar, the menu
appears as shown in the figure below. Note that most of the commands are
on submenus.
11
Figure 3-1 AspenPlusCatCracker Drop-Down Menu Before Connection
Some of the options are dimmed in this figure because the workbook has not
yet been connected to the calculation engine through the server. The options
under Development Tools are for advanced functions in the workbook and
will not be covered in this chapter.
Startup Aspen Plus CatCracker Submenu

The Startup Aspen Plus CatCracker submenu contains the commands you
will typically use when you first activate the Aspen Plus CatCracker
workbook.
Startup Aspen Plus CatCracker Options
When you select Startup Aspen Plus CatCracker, the menu shown above
appears. The three commands on this submenu are described below
Startup Aspen Plus CatCracker Commands
12
Command
Function
Load CatCracker Flowsheet
Connect the workbook and load a problem file
Startup Options
Load a problem file automatically or manually
Reset ApMain
Resets the connection with the Aspen Plus server
The Load CatCracker Flowsheet option is normally the first command you
will use. This command displays the Connect dialog box. The Reset ApMain
command causes the workbook to break the connection with the server. This
is necessary if you want to use the Excel File menu. If you do not close the
workbook at this point, you can use the Load CatCracker Flowsheet
command to reconnect the workbook.
Connect Dialog Box

1
On the Excel menu bar, select AspenPlusCatCracker | Startup Aspen

Plus CatCracker | Load CatCracker Flowsheet.
The Connect dialog box appears.
Connect Dialog Box
In the Host box, enter the name of the host computer (normally your
computer) using all lower case letters.
If the correct computer name is entered, the Browse button in the
Problem area will become enabled.
Note: You can easily determine the computer name if it is not known.
Win2000: Right-click the My Computer icon on the computer desktop and
select Properties from the pop-up menu. Click the Network Identification
tab where the full computer name will be listed near the top.
Windows XP: Right-click the My Computer icon on the computer desktop
and select Properties from the pop-up menu. Click the Computer Name
tab. The computer name will be listed in the Full Computer Name field.
3
Click the Browse button in the Problem area, navigate into the Apinit
directory, select the file fcc.appdf, and then click Open.
The Connect dialog box reappears, and the fcc.appdf file name and
directory should now appear in the Problem area.
Click the Browse button in the User Data File area, select the file
FCC12_1_demo.var, and click Open.
13
The Connect dialog box reappears, and the file name and directory of
FCC12_1_demo.var should appear in the User Data File area.
5
At the bottom of the Connect dialog box, click OK.

On a 750 MHz Pentium III PC, such as a Dell Inspiron 8000, it requires
approximately two minutes to initialize the CatCracker flowsheet and load
the data into the Excel GUI. During this time, the Excel cursor will appear
as an hourglass symbol and the Excel status line will display the message
Loading Aspen Plus CatCracker flowsheet. The cursor will return to the
normal cross shape and the status line will display Ready when the
process is complete.
Once the connected to the flowsheet is established, the previously inactive
AspenPlusCatCracker menu commands become active, and the Aspen
Plus CatCracker toolbar is created.
Now save the workbook using the Excel File | Save command, to
preserve the computer name and CatCracker appdf file location entered
in the Connect dialog box.
You are now ready to begin using Aspen Plus CatCracker.
Startup Options Dialog Box

The Startup Options dialog box is illustrated below. This dialog box lets you
specify a default problem solution to load into the workbook other than
FCC.APPDF (the base solution).
Startup Options Dialog Box
When the Aspen Plus CatCracker workbook is opened, there is by default no

connection established with the CatCracker flowsheet. Furthermore, once the
connection is established, the data loaded into the spreadsheet will be the
data that comes with the generic model. You can change these default
settings to improve efficiency. By modifying the startup options, you can
automatically connect to the CatCracker spreadsheet and load a specific user
data file immediately upon opening the CatCracker GUI.
At the top of the Startup Options dialog box, you can choose to make a
connection to the CatCracker model either manually or automatically. If you
14
select Automatic Startup, the spreadsheet will automatically establish a

connection to the model whenever it is opened.
The Startup Options dialog box also has an option to load in a set of data
other than the default problem data. Automatically loading data that matches
your plant is more convenient. For more information on saving and loading
data, see Saving and Loading Data Files.
To Set Startup Options:

1
On the Excel menu bar, select AspenPlusCatCracker | Startup Aspen

Plus CatCracker | Startup Options.
The Startup Options dialog box appears.
Select Manual Startup or Automatic Startup. Your choice will

determine whether the connection to the CatCracker model is made
manually or automatically.
If you chose the Automatic Startup option in Step 2, you can load a set
of data other than the default problem data in the fcc.appdf file. To do
so, select the Load User Data from File? checkbox.
In the File Name box, enter the name of the data file to be loaded
(including the full path). Normally, this is a file that you have saved from
a previous execution of the program.
Click OK.
File Submenu
The second submenu on the AspenPlusCatCracker menu is File. There are
four commands in this menu, which are summarized below.
The first two commands display dialog boxes that you can use to retrieve or
save a case file. You can use the last two commands to retrieve or save
information you have entered in the Param or Simulation worksheets.
Command
Function
Load Case Data
Brings up a dialog box to load a case file
Save Case Data
Brings up a dialog box to save a case file
Load User Input

Sheet
Loads data you previously entered on a

Parameter or Simulation worksheet
Save User Input

Sheet
Saves data you previously entered on a

Parameter or Simulation worksheet
It is very important for you to be familiar with the Load Case Data and Save
Case Data commands. The CatCracker model is an equation-based model
and can be moved from a base solution to another base solution, if the move
is not too large. Normally, as a very general rule, too large means a move of
about 20% to 30% on values other than temperatures. Temperatures
changes can be in the range of 10 to 20 F.
With experience, you will become more familiar with the magnitude of
changes that the model can accommodate. However, when a solution is not
achieved, the solver is left with a bad starting point. You will need to load in a
good starting point and this is done with the Load Case Data command.
15
Therefore, it is good practice to save cases with the Save Case Data
command for later retrieval.
The Load User Input Sheet and the Save User Input Sheet options are
workbook operations you can use to avoid retyping data if it is lost in a run
that doesnt converge. After you retrieve a case, the values in worksheets will
be updated. If you have entered data on the Parameter or Simulation
worksheet, this data will be overridden. To retrieve this data, execute the
Load User Input Sheet command. If you need to save the data you have
entered, execute the Save User Input Sheet command. These can also be
activated by buttons on the toolbar:
Save User Data button

Load User Data button
Setup Cases Submenu

The third submenu on the AspenPlusCatCracker drop-down menu is Setup
Cases. This submenu will be dimmed until you successfully connect to the
workbook to the calculation engine as explained above.
16
The Setup Cases submenu contains seven commands, which are

summarized below
Command
Function
Case Study
Set up case studies
Optimization
Set up optimization calculations
LP Vectors
Set up LP vectors
PIMS Vectors
Set up PIMS vectors
Profit 1
Set up profit function number 1 for optimization case
Profit 2
Profit 3
For more information about setting up cases, see Specifying Data.
Worksheets in the Aspen Plus

CatCracker Workbook
Introduction Worksheet
Besides displaying the logo for the workbook, the Introduction worksheet
provides version data for product, flow sheet, Excel interface, and catalyst
library. This data is located below the opening display and is displayed by
moving the scroll bar, or paging down. A place for notes and/or comments is
located below the version information.
17
Options Worksheet
You set the main AspenPlusCatCracker model configurations and data entry
options on the Options sheet. Under most conditions, you should only have
to make modifications to this sheet once, when the model is first being
customized to your specific CatCracker unit. The sheet is self-documented,
with the general instructions listed at the top of the sheet, and a detailed
description given next to each combo box option.
A summary of the general instructions and rules of combo boxes are given
below:
The options selected in the combo boxes are applied for all cases.
Combo boxes only operate once the spreadsheet is connected to the

CatCracker model. (For information on how to connect to the flowsheet,
see Connect Dialog Box on page 13.)
Selecting a different option in a combo box changes the spec of specific

variables. Recall that a variables spec determines if it is calculated, kept
fixed, or varied as a degree of freedom depending upon the solvers run
mode.
Changing the option in a combo box does not automatically refresh the
Param or the Simulation sheets to reflect which variables are calculated
and which variables are fixed. Recall that the fixed variables have a blue
background, while those that are calculated have a white background.
There are three methods to update the Param and Simulation sheets,
described in the following section.
Updating Spec Colors

Method 1:
1
On the AspenPlusCatCracker toolbar

click the Update Spec Color button
,
.
This refreshes both the Param and the Simulation sheets.

Note: If you click the Update Spec Color button too early, before the new
option is processed, the following error appears:
If this appears, click OK to continue, and wait until the combo box option has
finished running the macro before trying to update the colors.
Method 2:
1
18
On the main toolbar menu, select AspenPlusCatCracker |

Development Tools | Update Param Sheet color for the Param sheet.
On the main toolbar menu, select AspenPlusCatCracker |

Development Tools | Update Simulation Sheet color for the
Simulation sheet.
Method 3:
1
Run a Param case. For information on how to run a Param case, see
Running a Parameterization Case on page 5-3
This automatically refreshes the Param sheet when the data is passed back
to the spreadsheet from the solver.
2
Run a Simulation case to update the color on the Simulation sheet.
Of the three methods, the first is the simplest and is recommended.
Options Sheet Options

The options available on the Options sheet are summarized below:
Combo Box
Name
Options available
Feed Rate BasisInput volume rates

Input mass rates
Fresh Feed
Gravity Basis
Input API
Input SG
K Const for LP
Ca Const for LP
H Const for LP
Description
Default
Enter fresh feed and recycle Default #1

rates on volume or mass
basis.
Enter API or Specific Gravity Default #1
for all feeds on Param and
Simulation sheets. K factor,
Aromatic content CA and H
content are for running LP
vectors.
Product Gravity Input API

Basis
Input SG
Enter API or Specific Gravity Default #1

for light naphtha
(debutanizer bottoms) and
heavier products.
Light-Ends
Product Rate
Basis
Enter light-end product rates Default #1

on volume or mass basis.
Input volume rates

Input mass rates
Heavy Product Input volume rates

Rate Basis
Input mass rates
Enter heavy ends product

Default #1
rates (light naphtha and
heavier) on volume or mass
basis.
Note: Should be consistent
with Fractionation Control.
19
Combo Box
Name
Options available
Description
Fractionation
Control
Input vol, HN and HCO rate const.
Set product (heavy naphtha Default #1

and heavier) flow control or
distillation point control.
Input mass, HN and HCO rate const.

Input vol, all use TBP90
Default
Input mass, all use TBP90

Input vol, HN/LCO/HCO rates const
Input mass, HN/LCO/HCO rates const
Custom 1
Custom 2
Custom 3
7
Fresh Feed
Concarb or
Ramsbottom
Input Concarb
Fresh Feed
Basic or Total
Nitrogen
Input Basic N
Regenerator
Control
Complete Combustion
Input Ramsbottom
Input Total N
Flue Gas O2 const float air vol

Flue Gas O2 const float air mass
Flue Gas O2 const float O2 inj vol
Enter fresh feed Conradson Default #1

carbon (CRC) or Ramsbottom
carbon content.
Enter fresh feed basic
Default #1
nitrogen or total nitrogen
content. The default basic to
total nitrogen ratio is 1:3.
This ratio is changed in cells.
Select either complete or
Default #1, 1.1
partial combustion options.
Select the appropriate option
from the submenu of options
in the second combo box.
Flue Gas O2 const float O2 inj mass

Air and O2 inj const float Flue Gas O2
Bed T & FG O2 const float Cat Cooler &
air vol
Bed T & FG O2 const float Cat Cooler &
air mass
Partial Combustion
Bed T const float air vol
Bed T const float air mass
Bed T const float O2 inj vol
CO2/CO const float air vol
CO2/CO const float air mass
CO2/CO const float O2 inj vol
CO const float air vol
CO const float air mass
CO const float O2 inj vol
CRC const float air vol
CRC const float air mass
CRC const float O2 inj vol
10 Pressure
All pressures const
balance control WG to RX DP const
Enter pressures or pressure

drops as constants.
Default #3
WG-RX and RX-RGN DP const
20
Combo Box
Name
Options available
Description
Default
11 Light Naphtha Input C4 content

Front-End
Input RVP
Control
Enter C4 content or RVP.

Default #1
Note that both inputs are
required for
parameterization, so both
remain blue on Param sheet
regardless of selection.
However, only the selected
option is fixed (blue color) on
the Simulation sheet.
12 Catalyst
Input ECAT MAT
Activity Control Input make-up rate
Enter MAT or make-up rate Default #1

as constant. Note that both
inputs are required for
parameterization, so both
remain on blue on Param
sheet regardless of selection.
Param Worksheet
Once the main options are selected on the Options sheet, enter the process
and laboratory data on the Param sheet. General information about using
this sheet is shown at the top of the sheet and is reported below:
Use this sheet to enter data for a Parameter case run.
Colored cells are input data. Run the AspenPlusCatCracker |

Development Tools | Update Param Sheet Color macro to confirm
color is correct with current options.
In Equation Oriented terms, the colored cells have Const or Meas specs.
This data may not be consistent with the last model runs as a Simulate
case, Case Study, etc. This is the last Param case, not the last model run.
Before running this case, check the Options sheet. If options are
changed, update the spec colors. See Updating Spec Colors. on page 3-13
Do not change the position of any cell on this screen. The Excel VBA code
expects the cells to be at their current positions.
Additional instructions on using this sheet are as follows:
Enter data in the units of measurement shown. Units of measurement

cannot be changed from the Param sheet. To change the units of
measurement for individual variables or a group of variables, contact
AspenTech.
Fill out as many data entries as possible before running a Param case.
Sending a consistent set of operating conditions improves the chances of
successful convergence.
The data to be entered on this sheet is broken up into twelve sub-sections as

follows:
Section
Title
1.
Key operating data
2.
Feed data
21
Section
Title
3.
Fresh feed preheat temperature control
4.
Recycle stream data
5.
Fresh feed and recycle stream routings
6.
Light ends product streams for reactor parameterization
7.
Heavy liquid product streams for reactor parameterization
8.
Heavy liquid product streams for simple fractionator

parameterization
9.
Catalyst data
10.
Mechanical data
11.
Heat losses
12.
Tuning data
Key Operating Data

The KEY OPERATING DATA section contains such things as key
temperatures, pressures, air rates, and steam rates related to the
regenerator, reactor, and stripper. Items with a blue background are required
inputs. These CONST and MEAS variables are used to parameterize the
model to actual operating conditions.
Specific information to be aware of when entering data is as follows:
22
Riser Outlet Temperature: Enter the vapor temperature where the

catalytic cracking and thermal cracking have terminated (outlet of the
dilute phase see the riser drawing in the mechanical data section).
Air rate for MAB: If the flow meter is on a dry basis, enter a very low
value (0.01%) for the air relative humidity entry.
Air blower discharge pressure and temperature: These entries are

used for enthalpy calculations only. They are not connected to the
pressure balance of the regenerator-reactor-wgc circuit. The Aspen Plus
CatCracker model does not model the MAB or the Wet Gas Compressor.
Constraints from these pieces of equipment can only be taken into
account by limiting the air flow rate and the wet gas compressor suction
rate during an optimization run.
Sign of Rg/Rx DP: Set to 1 if the regen pressure is greater than the
reactor pressure (default). Set to +1 if the opposite is true.
Lift Steam, Dispersion (or Atomizing Steam), Reactor Stripping

Steam: The units of measurement shown for the rate, temperature and
pressure columns correspond to the dispersion steam to the bottom of
VRISER1 (see mechanical data section). Enter all of the steam data in the
units of measurement shown.
Lift Gas: Some CatCracker units have a recycle stream from the
secondary absorber offgas to the bottom of the riser as a method to
minimize lift steam which is detrimental to the catalyst. In the
AspenPlusCatCracker model, the Lift Gas stream composition is
approximated to be inert (Nitrogen). This simplification ignores the
reaction mechanisms of an actual offgas stream, but it does model the
enthalpy effect on the fresh catalyst entering the riser.
Param Sheet - Key Operating Data
Feed Data
The FEED DATA section contains inputs for up to ten fresh feed streams.
Depending upon the feed rate basis option selected on the Options sheet,
either the volume or the mass is entered in the cells highlighted in blue.
There is a feed type option for each feed through an associated combo box.
Select the most appropriate feed type from the drop down menu of types
available. The following table provides a brief description of the standard feed
types available.
#
Feed Type
Description
1.
VGO
Atmospheric Tower Gas Oil, Vacuum Tower Gas

Oils (LVGO and HVGO)
2.
HTVGO
Hydro-treated Gas Oils
3.
LCKGO
Light Coker Gas Oil
4.
HCKGO
Heavy Coker Gas Oil
5.
MXCKGO
Mixed Coker Gas Oil
6.
RESID
Resid (Atmospheric Tower bottoms)
7.
HOIL
HOIL
8.
FCCGO
FCC LCO/HCO type material
9.
NAPHTHA
Naphtha feed (430 F and lighter)
10.
SYN
Synthetic crude
11.
NOT FOUND
Same as VGO (Default)
These feed types are found on the hidden sheet Feed Input.
23
To unhide this sheet:
From the Excel menu bar, click Format | Sheet | Unhide | Feed Input.
Contact AspenTech to add a new feed type to this list.

Once the feed type is selected, enter all the analytical data for that feed,
including the API (or specific gravity), sulfur content, nitrogen content (total
or basic), Conradson or Ramsbottom carbon, refractory index, viscosity, and
distillation. A combo box option is available for either specifying the refractory
index measurement, or to have the refractory index estimated by selecting
the Estimate option. The viscosity measurement can be entered in either cST
or SUS, or you can have the model also estimate this value by choosing the
appropriate option in the viscosity combo box for each feed. In addition to
entering the 9-point distillation for each feed, you must specify the distillation
type (D86, D1160, D2887, or TBP) by selecting the appropriate item from the
distillation combo box.
The final entry is to specify the feed metal contents of the feed streams. A
feed metals combo box is included to select how the feed metals are
reconciled with the ECAT metals. The default is to enter feed metals.
Param Sheet Feed Data
24
Fresh Feed Preheat Temperature Control

The default setting for the preheat temperature of the fresh feeds is that all of
the fresh feeds are combined upstream to the riser and they are all mixed at
the same temperature. This temperature is entered in the Combined feed
temperature 1 cell. Although the Combined feed temperature 2 is also
highlighted in blue, it is not necessary to enter a value since it is not used by
the model under the default settings. Contact AspenTech if changes need to
be made to the default configuration.
Param Sheet Fresh Feed Preheat Temperature Control
Recycle Stream Data

There are four recycle streams available:
Heavy naphtha
LCO
HCO
Bottoms
The flow rate (volume or mass), and the preheat temperature of each stream
are entered in this section. Do not set any of the recycle streams to zero.
Param Sheet Recycle Stream Data
Fresh Feed Recycle Stream Routings to Riser

Each individual fresh feed stream and recycle stream can be sent to the
bottom feed nozzle or the upper feed nozzle, or a combination of the two.
Setting the feed routing is done in this section. For additional information on
the model layout of the bottom and upper feed nozzles, refer to the
Mechanical Data section.
To specify that a stream enters the riser at the bottom

feed nozzles:
Set the ratio to 1.0.
25
Set the ratio to 0.0.
To specify that a stream enters the riser at the upper feed

nozzles:
Note: A minimum amount of material must be specified for both injection
points. Therefore, even if in actuality all feed goes to the bottom of the riser,
at least one of the non-zero feed streams must be set to a ratio factor less
than 1.0, such as 0.9999..
Param Sheet Feed Stream Routings to Riser
Light Ends Product Streams for Reactor

Parameterization
The flow rate and gas chromatograph (GC) composition of up to three vapor
flow rates, up to five liquid flowrates, and the light and heavy naphtha
streams are entered in this section. The first three columns are strictly for
vapor flowrates.
Note: The unit of MMCUFT/DAY for the vapor streams is interpreted as
millions of standard cubic feet per day. The GC composition for the vapor
streams can be entered on a %mole or %volume basis (no difference), while
that of the liquid streams is strictly on a %volume basis.
General rules for entering data in this table are:
26
External streams with C6 or lighter components are entered in this table,

with a negative value for the flow.
At least one of the components of any given stream must be nonzero.

Even if there is no flow associated with the stream, setting the GCs to
zero can lead to model robustness issues.
None of the individual components can have zeros across all streams. If
the GC for all streams are such that one (or more) of the components
listed in the table are zero, you should still assign a small amount to the
component(s) in question under the most logical stream. Leaving a
component at zero composition can result in negative yields and model
robustness issues.
Setting the heavy naphtha flow to exactly zero is permitted, but ensure
that at least one of its components is nonzero.
Enter the light naphtha (or debutanizer bottoms) flow rate in this table
and the next two tables.
Param Sheet Light Ends Product Streams for Reactor Parameterization
Heavy Liquid Product Stream Reactor

Parameterization
The heavy liquid product streams include the light naphtha (debutanizer
bottoms), heavy naphtha, LCO, HCO and Bottoms streams. The flow rate,
API, and 9 point distillation data for these five streams must be entered in
this table and in the following table (for simplified main fractionator
simplification).
Param Sheet Heavy Liquid Product Streams for Reactor Parameterization
The data entered in this table sets the standard yields for the reactor kinetics,
while the same data entered in the next table is strictly to set how the
27
product streams are actually separated. If a cut has zero flowrate or does not
exist, do not enter zero as the flowrate. Instead, enter a small non-zero
number (1 to 10 BPD) to avoid numerical problems with the solver.
Heavy Liquid Product Streams for Simplified

Fractionation Parameterization
The same flowrate, API, and distillation information entered in the previous
table must be entered in this one as well. Again, do not enter zero for any of
the cuts, even if the cut has zero flowrate or if the cut does not exist on your
unit. Enter a small non-negative number such as 1 to 10 BPD.
Other properties highlighted in blue need to be entered. The sulfur weight
percent of all five heavy liquid cuts needs to be specified, regardless if the cut
is non-existent or actually has a zero flowrate measurement. The sulfur
weight percent must be entered in increasing order going from the lightest
cut to the heaviest cut. Consult the sulfur balance section on the Analysis
sheet to ensure that the sulfur distribution among the product cuts appears
reasonable.
Param Sheet - Heavy Liquid Product Streams for Simplified Main

Fractionation Parameterization
28
The properties for the gasoline stream include research and motor octane
numbers, PONA breakdown, Reid vapor pressure, and volume percent
concentration of C4s. Regardless of how the front-end part of the gasoline
cut was specified on the Options sheet (that is, constant RVP or constant
C4), both are required inputs for Parameter cases only. In Simulation cases,
the constant property controls the cut while the other property is calculated
when the problem is solved. The cloud point for the LCO cut is also an input.
The Conradson carbon and basic nitrogen results reported for the heavy
naphtha, LCO, HCO, and Bottoms affect incremental conversion of these
recycle streams.
The input data required is straightforward. The data required for the Input
TBP 90% cells is the target TBP 90% point. Contact AspenTech to change
the target to another distillation type such as D86 90% or D86 End Point.
Catalyst Data
The catalyst data section is used to specify the number and type of fresh
catalyst, ECAT data, and other catalyst related data such as inventory, makeup rate, and loss rates. Up to five different types of fresh catalysts can be
specified and one ZSM-5. The catalyst type is selected from the combo box
option. The library of different catalyst types is found on the CST Factors
sheet, which is hidden in the install kit spreadsheet.
To View the CST Factors Sheet:
On the toolbar, click Format | Sheet | Unhide | CST Factors.
After a catalyst type is selected, the actual composition and base composition
for the zeolite, alumina, and rare earth appear below the combo box. Initially,
they will be the same. If the actual values differ from the base values based
on vendor specifications, then enter your values in the appropriate cells under
the Actual composition heading.
Fresh catalyst data copied from the CST Factors sheet is also displayed
below each catalyst type. Although these values are constants and are
highlighted in blue, do not enter any information in these cells. They are
simply included to ensure that the data entered below in the ECAT section is
consistent with the fresh cat data.
Regardless which option has been selected for the catalyst activity (MAT
constant or make-up rate constant), the make-up rate is always an input on
the Param sheet. The cat inventory to enter is the total inventory of catalyst
in the regen/reactor circuit.
The cat losses in the regen flue gas and the reactor overhead are also
specified in this section. The model calculates the catalyst withdrawal based
on the difference between the make-up rate and the cat losses. For those
CatCracker units running low metals feed and/or those with little or no
catalyst withdrawal, set the cat losses to a very low number. (Set regen cat
losses at of make-up rate and reactor cat losses at 1/10 to 1/20 of makeup rate) to ensure model robustness. Otherwise, problems may occur in
performing metals calculation when comparing the difference between the
metals entering the unit with the feed, and the metals content in the regen, in
the losses and in the withdrawal.
29
The ECAT data entered must be consistent with the blended fresh catalyst
data. For example, if the lab ECAT activity is entered as 75%, while the
blended fresh cat data has a lower activity value, then the model will not
solve due to this data inconsistency. The FINES data corresponds to the
catalyst impurities in the loss catalyst streams leaving the regenerator flue
gas and reactor vapor line. The FINES data is normally not known, so it is
recommended to enter this data in a ratio consistent with the default ratios
between the ECAT and FINES data.
Param Sheet Catalyst Data
Mechanical Data
The physical length, diameter, and height of the key reactor and regenerator
equipment are defined in this section. The equipment layout is based on the
typical side-by-side FCCU design. The riser section is divided into four
principal blocks as shown below. The kinetic reactions take place in the
VRISER1 and VRISER2 blocks, with some reaction taking place in the
RXDIL block. The riser outlet temperature specified as the first input in the
Key Operating Data refers to the vapor temperature of the hydrocarbons
leaving the RXDIL block.
The physical dimensions of VRISER1 and VRISER 2 are normally
straightforward to specify. General rules are that the bottom of VRISER1 is
30
normally taken at the bottom feed nozzle, while the top of VRISER2 is
normally taken at the top of the riser where the vapors exit the riser section.
Determining how to divide the riser between these two extremities for setting
the length of VRISER1 and VRISER2 is dependent upon the physical layout of
the riser. If the riser has two active feed injection points, then the length of
VRISER1 can be taken as the vertical length between the two injection points,
and the length of VRISER2 can be taken as the distance from the upper
injection point to tip of the riser where the vapors exit. If there is only one
injection point, then the riser can be divided in such a way that it best
matches changes in the internal diameter. If the internal diameter changes
within the selected length of VRISER1 and/or VRISER2, then use the weighted
average as the diameter.
In specifying the lift riser length, a measurement is taken between the bottom
of the riser and the injection point of the bottom feed nozzles. The height of
the reactor dilute block is dependent upon the desired residence time of the
vapors leaving the tip of the riser and the entry of the secondary reactor
cyclones. Enter the actual diameter of the reactor for the diameter field, and
vary the height until the residence time matches acceptable results. The
residence time is found on the Analysis sheet. Its value, along with all data
on the Analysis sheet, is valid after running a Parameter, Simulation or
Optimization case.
Riser setup in AspenPlusCatCracker
All pieces of equipment requiring an outer diameter and a wall thickness can
be input in various ways. If the metal thickness is ignored, then the outer
diameter should be taken as the internal diameter plus two times the
refractory thickness, and the wall thickness should be set equal to the
refractory thickness. This is how the drawing is represented below. If the
metal thickness is to be included, then the outer diameter is equal to the
internal diameter plus two times the metal thickness plus two times the
refractory index, while the wall thickness is set equal to the metal thickness
plus the refractory thickness.
31
ODRx
HRx
wtRx
DStrip
ADStrip
LStrip
DDilute
wtSC,SP
Steam
LR2
ODSC,SP
ODSC,TR2
HCyclone Inlet
HB
Dinterfacial
SP SC
wtSC,TR2
wtR2
ODR2
TR1 SC
TR2 SC
DB
wtRC,SP
wtR1
ODRC,SP
SP
ODR1
ODRC,TR2
wtRC,TR2
RC
LR1
TR1
RC
wtLR
LLR
ODLR
TR2
RC
Drawing of Reactor/Regen for Mechanical Data
Where:
Symbol
Equals
TR
transfer line
SP
stand pipe
SC
Spent Cat
RC
Regen Cat
Rx
reactor dilute phase
The stripper diameter is to be taken as the entire internal diameter of the

reactor stripper model. The annulus diameter is taken as the riser inner
diameter in the stripper section, plus the corresponding layers of refractory in
the stripper, metal thickness of the riser, and refractory thickness in the riser.
If the CatCracker design has an external riser, then set the annulus diameter
to zero. Entering exactly zero is valid.
32
For the spent cat route and the regen cat route, ignore transfer line 1 and set
it to an arbitrarily short length (0.1 ft). Its outer diameter and wall thickness
should be set equal to the standpipes. Do not enter values for the angle input
required for the lift riser, spent cat transfer lines, and regenerated cat
transfer lines. Leave these at their default values.
The regen bed height is adjusted to get the correct cat inventory number in
the regenerator. The interfacial diameter is normally set equal to the regen
bed diameter. Set the height of the inlet of the regenerator cyclone equal to
the length from the first stage cyclone inlet to the bed level, plus the length
from the bed level to the air grid. Since the inlet of the first stage cyclone is
normally rectangular in shape, the diameter is calculated by first summing up
the total inlet area of all inlet first-stage cyclones, and then calculating the
diameter of a circle with this area (A = d2/4).
The default settings for the fluidization media are typically acceptable, but
you can adjust these settings.
Param Sheet Mechanical Data
Heat Losses
The heat loss terms are entered in this section.
Note: Heat losses in Riser1 and Riser2 must be entered as negative values.
33
Param Sheet Heat Losses
Tuning Data
Tuning data is entered in this section. Each entry has a short description to
explain how the data can be adjusted. The most relevant tuning parameter is
for adjusting the overcracking peak and the stripper performance. This
section is geared toward advanced users. For detailed procedures, refer to
Heat Balance Tuning.
Param Sheet Tuning Data
34
Analysis Worksheet
This sheet gives an overview of all the key process variables. This sheet is
divided in many different sections. Each section represents some important
part of the process such as, mass balance, sulfur balance across the
CatCracker, and so on. For each section, the description of the variable and
its title, specs, units, and values are displayed.
Sections
Description
Mass balance
Displays the error in the mass balance between the feeds and 3
products
Fractionated products
Displays a detailed distribution of products on the volume

percent basis of fresh feed
18
Standard cut products
Displays a TBP or square cut distribution of products on the

volume percent of fresh feed
36
Sulfur balance
Displays the distribution of Feed sulfur in products
49
Feed rate summary
Displays the total fresh feed, total recycle feed and total feed 59
to riser on volume and mass basis
Fresh feed conversion
Displays the apparent and standard conversion on volume

and weight percent based on fresh feed
67
Aromatic contents
Displays the total aromatic content of each of the individual

feed
75
Heat balance - General

Information
Displays general information about the coke yield, coke heat

of combustion, Regen cooler and bed coils duty, catalyst
circulation rate etc.
87
Heat balance - Heat of

cracking
Displays information about the Apparent and theoretical heat 102

of cracking for total fresh feed and total fresh feed and
recycle combined
Sources of coke
Displays sources of coke distribution by mechanism of

112
formation and associated hydrogen content, Concarbon to
feed coke ratio, Metals coke factor, Riser feed mix conditions,
and key parameters.
Total feed composition

(Fresh+recycles)
Displays the 19 lump composition of the total feed on weight 160

percent basis.
Composition by boiling range
Displays breakdown of 19 lumps by boiling range from C1C4, C5 430, 430-650, 650-950, and 950+.
Composition by type
Displays breakdown of components on basis of chemical

188
composition like C1-C4, C5 430, Paraffins, Naphthenes, 1,
2 &3 Ring aromatic cores, and Aromatic side chains. It has
various types of distribution combining various ranges of cuts
like distribution of 430+ paraffins, 650+ Naphthenes etc.
Vapor residence times
Displays vapor residence time distribution in Riser1, Riser2,

Reactor dilute phase section and total residence time.
236
Solids residence times
Displays solid residence time distribution in Riser1, Riser2,

Reactor dilute phase section and total residence time.
243
Riser/reactor catalyst
inventory
Displays solid hold up in tons of mass in the Riser1, Riser2,

Reactor dilute phase section and total solids hold up
250
Riser superficial velocities
Displays vapor velocity and the inlet and outlet of Riser1 and 257
Riser2 section
Regenerator data
Displays various key parameters of the regenerator section

263
like bed temperature, flue gas temperature, flue gas CO/CO2
dry content, Coke on regen and spent catalyst etc.
Row #
181
35
Sections
Description
Row #
Regenerator air supply

summary
Displays rates for dry air, wet air, Enriched O2, and Enriched 287
Air on mole, mass, and volume basis. It gives temperature
and pressure for each of the following streams. It provides
molar composition of wet and enriched air.
Metals Data
Displays the distribution of various metals like Ni, Va, Fe, Cu, 337
and Na and overall balance of these metals
Feed Blends Worksheet

This worksheet displays detailed data for all the fresh feed, the blended feed,
the recycle feed and the total blend of fresh feed and recycle feed. This sheet
is updated from load file and from any of the last runs. You cannot enter any
data on this sheet. The sheet can be read in a matrix form with the columns
as different feeds and the rows as the various feed properties. Each feed
property variable is described in Column A below the heading Description.
Columns following this column display Titles, Specs, and Units for the
Feed1. Usually all the fresh feeds have the same corresponding titles, the
same specs, and the same units as Feed1. The model can blend up to ten
fresh feeds and up to four recycles for the final blend to the riser. Fresh feed
blends in Column O represent the properties of all the fresh feeds blended.
The four recycles include recycles from:
Heavy Naphtha
LCO
HCO
Bottoms
The final total blend is the actual model feed to the riser.
The various properties of the feed displayed are listed below:
Feed Properties
Description
Row #
Volume rate
Displays the volume flow rate of the feed
12
Mass rate
Displays the mass flow rate of the feed
13
Preheat temp to riser
Displays Preheat temperature of the feed to riser
14
Fraction of flow to bottom of

riser
Displays fraction of each feed that goes to the bottom of the

riser
15
Recycle vs. product splitter

ratio
Displays the split ratio for each of the recycle streams.
16
Index number for feed type on Displays the corresponding feed type from the feed input
feed input sheet
page row # 3
18
API gravity
Displays the API gravity for the fresh feed
19
Specific gravity 60F/60F
Displays the specific gravity for the fresh feed at 60F
20
K Factor based on D1160

VABP
Displays the UOP characterization factor based on D1160

VABP
21
D1160 VABP
Displays D1160 Volume Average Boiling Point in oF for the

feed
22
K Factor based on D2887 50% Displays the UOP characterization factor based on D2887
point
50% cut point
36
23
Feed Properties
Description
Row #
Sulfur content
Displays the weight percent of the sulfur in fresh feed
24
Sulfur crackability factor
Displays potential amount of total sulfur in the feed that can

be cracked
25
Basic nitrogen content
Displays the basic nitrogen content of the feed in PPMW units 26
Basic/Total Nitrogen ratio
Displays the ratio of Basic to Total nitrogen in feed
Total nitrogen content
Displays the total nitrogen content of the feed in PPMW units 28
Conradson carbon content

(CCR) & Ramsbottom carbon
content (RCR)
Displays the weight percent carbon residue by ASTM test

procedure
29
Metals content
Displays metal contents for Ni, Va, Fe, Cu and Na in PPMW
31
Refractive index from lab
Displays Refractive Index from the lab and also provides

estimated value of RI by model at 20o C
38
27
Viscosity Cst at 210F from lab Displays Viscosity of the Feed Stock
43
Aromatic content bias
47
Displays the difference in the amount of aromatic carbon

content between TOTAL Correlation and base fingerprint Ca
content based on base bulk properties
Aromatics content by modified Displays total aromatic carbon content by TOTAL correlation
Total method
based on actual feed
48
% of blended fresh feed

aromatics in each feed
Displays the percentage of aromatic carbon from each fresh

feed to form blended feed
49
Hydrogen content
Displays the total elemental hydrogen content in the feed
50
% of blended fresh feed H in

each feed
Displays the percentage of hydrogen content from each of

the fresh feed to form blended feed
51
Molecular weight
Displays the average molecular weight
52
Distillation data
Provides distillation curve data by D1160, D86 , D2887 and

TBP calculations
53
Base 19 lump composition
Provides weight percent of the base 19 lumps for the fresh

feed
90
Final adjusted 19 lump

composition detail
Provides weight percent for the final adjusted 19 lumps after 111
the manipulations by feed adjust model for the fresh feed

composition by boiling range
Gives breakdown of 19 lumps by boiling range from C1-C4 ,

C5 430, 430-650, 650-950 and 950+ lump
132

composition by type
Gives breakdown of components on basis of chemical

composition like C1-C4, C5 430, Paraffins, Naphthenes, 1,
2 &3 Ring aromatic cores and Aromatic side chains.
139

composition by type
Displays same data as above but with total of Ring Aromatics 149
cores composition.

composition by type
Displays same data as above but with total of Aromatics

composition
157
Displays set of information about various biases for WABP,

RI, viscosity, various cuts and various ratios and methyl
groups.
165
37
Cat Blend Worksheet

This worksheet displays detailed data for all the fresh catalyst, ZSM-5, the
blend used for make up, and the equilibrium catalyst. This sheet is updated
from the load file and from any of the last runs. You cannot enter any data on
this sheet. The sheet can be read in a matrix form with the columns as
different catalysts and the rows as the various catalyst properties displayed.
Each feed property variable is described in Column A under the heading
Description. The Columns following this column display Titles, Specs, and
Units for Catalyst1. Usually all the fresh catalysts have the same
corresponding titles, the same specs, and the same units as Catalyst1. The
model can blend up to five fresh catalysts, and ZSM-5 can be blended for the
final catalyst blend used in the make-up catalyst.
The blended catalyst properties used in the make-up are given in Column K.
The equilibrium catalyst properties are given in column L.
Catalyst Properties
Description
Row #
Index no. from CST factors

sheet
Displays the index number corresponding to the catalyst

selected from CST sheet row #2
11
Input mix percent
Displays the percentage of the particular catalyst including

ZSM5 in the blended catalyst mixture
12
Normalized mix percent
Displays the percentage of the particular catalyst excluding

ZSM5 in the blended catalyst mixture
13
Flowrate
Displays the mass flow rate of the catalyst
14
MAT activity
Displays the MAT activity for the catalyst
15
Zeolite surface area
Displays the Zeolite Surface area
16
Matrix surface area
Displays the Matrix Surface area
17
Total surface area
Displays the total surface area of the catalyst
18
Metals contents
Displays the absolute content of Ni, Va, Fe, Cu and Na

present in the catalyst
19
Composition shifts
Displays the composition shifts in zeolites, alumina and rare

earth metals to affect the catalyst factors
25
Displays catalyst factors for adjustments in yield, selectivity,

deactivation etc.
35
Simulation Worksheet
This sheet is separated into five sections:
KEY OPERATING DATA
FEED DATA
YIELDS
CATALYST DATA
PRODUCT PROPERTIES
Typically, you enter data into the cells highlighted in blue for each section.
However, these highlighted cells are dependent upon the options selected.
Thus, if you modify options prior to running a simulation case, you can update
38
the cell colors with by clicking AspenPlusCatCracker | Development Tools

| Update Simulation Sheet Color.
Key Operating Data

The KEY OPERATING DATA section contains key values that may be either
input to or output from the model. You can input changes to:
riser outlet temperature
flue gas composition
coil duties
cooler duties
flue gas quench rate
O2 injection rate
If the model is being run for complete combustion, enter the O2 content of
the flue gas.
If the model is being run in partial combustion mode, enter the CO content of
the flue gas, CO2/CO ratio in the flue gas, or regen bed temperature,
depending on the regenerator control option selected on the Options sheet.
Simulation Sheet Key Operating Data
Feed Data
The FEED DATA section contains inputs for up to 10 feeds. You can specify
recycle streams of heavy naphtha, LCO, HCO, and bottoms separately. You
can specify separate flow rates for each feed. However, only the preheat
temperature for the combined feed may be specified. For each feed you can
select the feed type using the combo-box associated with that feed. Once the
39
feed type has been selected, you should input all of the analytical data for
that feed including API gravity, sulfur content, basic nitrogen content,
Conradson carbon content, refractive index, viscosity, and distillation. You can
choose to have the refractive index estimated rather than using a measured
value by selecting the Estimate option in the refractive index combo-box. You
can choose to enter viscosity in either cSt or SUS, or have this value
estimated also by choosing the appropriate option in the viscosity combobox for each feed.
In addition to entering the 9-point distillation for each feed, you must specify
the distillation type (D86, D1160, D2887, or TBP) by selecting the appropriate
item from the distillation combo-box. Finally, enter the feed metals data for
each feed.
Simulation Sheet Feed Data
40
Yields
The YIELDS section contains only model output and thus you do not enter
any information in this section. Yields are reported on a Standard basis and
on a Fractionated basis. The Standard yields represent the yields of each
component or pseudo-component as if the fractionation were perfect. For
example, the C5+ Gasoline yield in the Standard Grouped Yields
subsection would contain all of the C5s and all components that boil below
430F. It would contain no C4s or lighter and no components that boil above
430F. The Gasoline yield in the Fractionated Grouped Yields subsection
would include a small amount of C4s (the amount necessary to match the
C4s specification or the RVP specification) and also some amount of heavier
material. Similarly, some C5s would appear in the C4 stream and some of the
material that boils below 430F would appear in the LCO stream.
Simulation Sheet - Yields
Catalyst Data
The CATALYST DATA section lets you change catalyst types and catalyst
properties, by selecting them from the appropriate combo-boxes, to see how
they will affect yields and conversions. You can select up to five catalysts and
one ZSM-5. For each catalyst, there is a base value for zeolite content,
41
alumina content, and rare earth content. If the actual values differ from these
base values, you can enter these values in the appropriate cells. You can also
enter the catalyst make-up rate or the fresh MAT activity depending upon the
option selected on the Options sheet.
Simulation Sheet Catalyst Data
Product Rates and Properties

The PRODUCT RATES AND PROPERTIES section is used primarily for
reporting, but you can specify the cut points used for the fractionation of the
gasoline and LCO product streams. Standard cut product properties are also
reported.
42
Simulation Sheet Product Rates and Properties
LP Vectors Worksheet
The LP Vectors worksheet provides the results for LP vector runs. The main
purpose of generating LP vectors is to provide shift factors for LP planning
and scheduling tools, such as Aspen PIMS. Generating LP vectors is a twostep process.
1
Specify the independent and dependent variables.
Run the LP vector generation command.
The instructions for running the LP vectors are at the top of the worksheet.
Select the independent and dependent variables from the pick list when you
set up the model for LP vector runs. The independent variables are reported
in columns and dependent variables are reported in rows. You can select as
many variables as are available in the pick list. For each variable, attributes
such as name, units of measurement and base values are displayed, and the
cells are highlighted by dark blue color.
Before setting up the LP vector run, some default variables in the Jacobian
matrix are selected and the values of derivatives are displayed. After you
select the variables for an LP vector run, the cells become empty. After the
run, the values of the derivatives are displayed in the cells with blue color.
Setting up LP Vectors
Generating LP vectors is a two-step process:
1
Specify the independent and dependent variables.
43
Run the LP vector generation command.
To set up the LP vectors of interest:

1
Select the AspenPlusCatCracker | Setup Cases | Vectors menu

command.
Setup Cases | Vectors Command
The LP Vectors spreadsheet appears, along with a dialog box from which you
can specify the independent and dependent variables.
Setup LP Vectors Dialog Box
44
In the top list box, select the independent variables. You can select any or
all of the variables listed. Select the checkbox beside the variable
description to select a variable. Clear the checkbox to deselect a variable.
In the lower list box select the dependent variables and functions in the
same way.
Once the independent and dependent variables have been selected, click
OK. The LP Vectors sheet will be cleared. Then the independent variables
will appear in Row 7 and the dependent variables will appear in Column C.
If you click Cancel, the dialog box will close and no changes will be made
to the LP Vectors worksheet.
Save the worksheet to retain the changes made to the LP Vectors page.
PIMS Vectors Workshet

The PIMS Vectors worksheet is set up similarly to the LP Vectors page, but is
set up in such a way as to generate a generic PIMS Table.
PIMS Table Worksheet

A standard PIMS table is generated using the data on PIMS Vectors page. This
page will typically have been set up by AspenTech service personnel.
Generating a PIMS Table

To Generate A Simple Pims Table:
1
Input the data.
Run a simulation case with the appropriate specs:
Fresh Feed Gravity basis should be SG
Riser Temperature Control should be Riser Outlet Temp
Distillation for the feed should include &All.
Run a simulate case with the VABP option.
Generate PIMS vectors with the independent variables and the dependent
variables specified in the CatCracker PIMS table.
All yields are on a fractionated basis
H2 to Ethane from the detailed yields
C3 and higher from the grouped yields
C4s include C5 in LPG
C3 olefin calculated by dividing C3 olefin by total C3
C4 olefin are summed in the detailed yields and divided by the grouped C4
+ C5
IC4 is divided by the C4+C5 total
Sum of C5s are divided by C4 + C5 total
Conversion is observed volume percent (E19 on Simulation page)
Generate sensitivity vectors
45
Make the appropriate transformations of the results to generate the PIMS

table.
Multiply yields by 1
Calculate changes in C3= of C3 Mixture by chain rule.
Cases Worksheet
The Case Studies are a user-specified series of Simulation Cases. You can
vary independent variable values between cases. Specifications cannot be
varied between cases.
The heading of the Cases worksheet provides the instructions to carry out the
case studies. The Cases worksheet is divided into three sections from top to
bottom.
The first section contains the independent variables that you want to vary.
The second section shows the dependent variables to be reported. You can
select as many variables as are available in the pick list. For each variable,
attributes like name, units of measurement, and base value of the variable
are displayed and the cells are highlighted in a dark blue color.
The third section shows the LP vector run for each of the cases with the same
dependent and independent variables.
For each case study run, the creep steps can be changed on Row 8 depending
on the change in the values of variable. By default, all the cases have a creep
step value of 10.
Row 111 shows a convergence flag for each case run. The value for
convergence is 1 if the run succeeds and 0 otherwise. You can run a
maximum of 100 cases. Cases can be run from and to any case number.
The case study should not necessarily start from case numbered 1. Before the
case study is set up, the columns are filled with either the defaults selection
of variables or the previously run data. After the selection of the independent
and dependent variables, the cells in light blue can be changed to enter the
value of the variables for each case run in the independent variable section.
After the case is run, all the cells of the dependent variables also are
highlighted with light blue color. If any data is left over from previous run,
you must delete it manually.
Optimize Worksheet
The Optimization case varies a defined set of independent variables to
maximize (or minimize) a specified dependent variable, the Objective
Function. Use the Optimize worksheet to set up the optimization variables
and any bounds that are necessary for solving optimization.
The sheet has two sections:
Independent or manipulated variables
Dependent or constraint variables
You select these variables from the pick list when you set up the optimization
problem.
46
For independent variables, the attributes provided are:
Name
Units
Upper bound
Lower bound
Step bound
Initial value
Optimized value
Specification of the variable
For dependent variables the attributes provided are:
Name
Units
Upper bound
Lower bound
Initial value
Optimum value
After you have selected the independent and dependent variables, you can
change the bounds on the variables to fit your requirements.
After the optimization run, cells in red indicate that the bound for that
variable was reached.
You cannot change the initial value column. You can only change cells
highlighted in light blue, such as upper, lower and step bounds for
independent and dependent variables.
Profit Worksheets
There are three profit function sheets available to define the objective
function for the optimization run. At the top of each sheet are notes about the
definitions of profit objective function. The sheet is divided into four sections:
the first section is about the main variables or properties. The other three
contain the incremental properties for each of the main variables or
properties.
You can define only three incremental properties for each variable. You can
select up to a maximum of 50 variables for the profit function. For each
variable selected, its name, units and, price units are displayed.
You must enter the price for the property selected under the column labeled
Price. Ensure that the price units for the properties are defined. For each
variable, you can enter a user label for convenient reference.
Note: The price entered is positive for the products and negative for the
costs.
Do not leave the Price column blank. If there is no cost, enter zero. For the
incremental property, enter Base value and Price.
47
Profit Report Worksheets

Profit report functions sheets provide the result of the optimization run. Each
of the profit functions has a corresponding profit report sheet. Each of the
profit report pages has three sections:
Initial Values
Results from Optimization
Results from Simulation
The list of variables from the corresponding profit function page is listed from
Row 15 down. The incremental property is in the same list but is indented
below the parent property. Each section has a Run Time and Status bar to
record the time when that section was last updated and what type of run it
was. The initial section of the worksheet is updated after a parameter run. All
the cash flows are converted to a time basis of per day, so any variable
having a different time basis on the Profit function sheet would be converted
to per day basis for reporting. All the cash flows for feed are reported in red
and for products in blue text.
Results from Optimization is updated after the optimization problem run.
Results from Simulation is updated after the simulation run. The overall
look of these sections is the same as the Initial Values section described
above.
The change in the values of cash flows due to parameterization and
optimization runs is reported in the Changes section next to the Results
from Optimization section. The change in the values of cash flows due to
parameterization and simulation runs is reported in the Changes section next
to the Results from Simulation section. At the bottom of the sheet overall
cash flows are reported for:
Feed cost
Product revenue
Total profit
Losses are reported as negative profits.
Hidden Worksheets
There are several worksheets in the AspenPlusCatCracker workbook that
are by default hidden. These are not needed for general use of the workbook,
but you can view them for information content.
To View These Worksheets:
On the Excel menu bar, select Format | Sheet | Unhide.
Some of these worksheets are password protected to prevent inadvertent

changes to their contents. Such changes can affect the functionality of the
workbook and cause a failure to occur in this functionality.
Hidden Worksheets
No
Worksheet Name
Description
Param IO
Structures the layout for the Param worksheet
48
Param Links
Param UserInput
Contains a copy of your input for the Param worksheet
Analysis IO
Structures the layout for the Analysis worksheet
Analysis Links
Direct cell links to the model variables available in the

workbook for the Analysis worksheet
Feed Blends IO
Structures the layout for the Feed Blends worksheet
Feed Blends Links

workbook for the Feed Blends worksheet
Cat Blend IO
Structures the layout for the Cat Blend worksheet
Cat Blend Links

workbook for the Cat Blend worksheet
10
Simulation IO
Structures the layout for the Simulation worksheet
11
Simulation Links

workbook for the Simulation worksheet
12
Simulation UserInput
Contains a copy of your input for the Simulation worksheet
13
Feed Input
Contains a library of feed fingerprints for different feed types
14
CST Factors
Contains a library of catalyst factors for different catalysts
15
EB Scripts
Contains scripts for execution of the calculation engine
16
ReceiveVars
Contains and manages variables that are sent from the

calculation engine to the workbook through DCOM
17
SendVars
Contains and manages variables that are sent to the

calculation engine from the workbook through DCOM
18
Registry
Contains a collection of data and parameters for the Aspen

Plus CatCracker workbook
19
ComboRegistry
Contains and manages data about the combo box options in

the Aspen Plus CatCracker workbook
20
Combo Table
Contains and manages the combo box tables that describe

the combo box options in the Aspen Plus CatCracker
workbook

workbook for the Param worksheet
49
3 Specifying Data
Overview
You can enter data on many different worksheets such as Simulation,
Param, etc. You can enter data either by:
Selecting variables from the pick list for LP vectors
Selecting values for Simulation and Parameter runs
Changing specs by selecting different options
You can only change the data contained in blue cells. You can select various
options for the run from the Options worksheet. However, you must
immediately click the Update Spec Color button on the Aspen Plus CatCracker
toolbar to see the cells on the Param or Simulation sheets that can be
changed during that run. See Updating Spec Colors.
To set up a Parameter case, enter data only in the Param worksheet. Data
on any other sheets is not used.
For Simulation runs, enter data only in the Simulation worksheet. Data on
any other sheets is not used.
For Case Studies, first select the independent and dependent variables from
the pick list. Then change the values of the independent variables in the
sections provided. You can also change the creep iterations for each step.
For LP vector runs, you select the independent and dependent variables.
There is no data to be entered except selecting the correct variables.
For Optimization runs, first set up the independent (manipulated) variables
and dependent (constraint) variables, then set up the profit objective
function. You can enter the data for bounds of the variable on the Optimize
worksheet in the blue cells. You can enter the prices for the profit objective
function variables on the any of the Profit sheets, in the Price column. You
can enter the price and base value for incremental properties in the
Incremental Properties columns.
Setting Up Case Studies

In addition to single cases, Aspen Plus CatCracker lets you run multiple cases
at a time and retrieve the results into a single area that is easy to work with.
50
3 Specifying Data
This can be useful if you want to see how the model responds to changes in
one or more variables. For example, it may be desirable to see how the
product yields vary with changes in riser outlet temperature. To perform this
type of study, you would run multiple cases with different temperatures and
have the results reported. This can easily be accomplished by running a Case
Study.
Before You Start

Before running a Case Study, first ensure the model has been initialized with
a valid result from a Parameter case or a converged Simulation case. With
this as a starting point, review and, if necessary, change the options in the
Options and Simulation worksheets. If you change any option, run a
simulation to initialize all the variable specifications before setting up the case
study. The options selected will determine which variables are available as
independent versus reported variables.
Any values entered on the Param or Simulation sheets will be ignored when
invoking the case study.
Note: When a new Case Study is set up or run, the data that are currently in
the worksheet are not automatically deleted. To remove any unwanted data,
you must select and delete the data. Each step of the case study will typically
require about one to two minutes to solve and update the spreadsheet.
Specifying Varied and Reported Variables

The next step is to specify which variables will be varied and which variables
will be reported.
1
Click AspenPlusCatCracker | Setup Cases | Case Study.

The Cases worksheet appears, along with a dialog box from which you can
choose the independent variables that will be varied and the dependent
variables that will be reported.
In the upper list-box, select the variables that will be varied. You may
select as many variables as you want from the list by selecting the
checkboxes beside the variable descriptions. A variable can be also be
deselected by clearing its checkbox.
In the lower list-box, select (in the same manner) the variables that will
be reported on the Cases sheet.
Once you have selected all the variables, click OK to set up the
worksheet.
The independent variable names will appear on the Cases worksheet in

Column A starting with Row 9. The report variables will appear on the Cases
worksheet in Column A starting with Row 111. Column B is reserved for
optional user labels.
Clicking Cancel will close the dialog box without making changes to the
Cases worksheet.
3 Specifying Data
51
Setup Case Study Dialog Box
52
Once the Cases worksheet is set up, enter values for the independent
variables for each case to be run.
3 Specifying Data
Case Study Worksheet
The model is now ready to execute a Case Study.
Setting up Optimizations
Optimization maximizes or minimizes a user-specified objective function by
manipulating independent variables (feed stream, block input, or other input
variables.) The objective function is an equation that is used by the
optimization engine to determine the manner in which to manipulate the
degrees of freedom (independent variable) in a problem. You may have more
than one objective function in a problem, but only one is used by the engine
during the solution. Objective functions for Optimize cases in the CatCracker
model are normally economic in nature (for example, they might maximize
operating profit or minimize operating cost) Aspen Plus V7.1 supports three
different kinds of objective functions:
Linear
Sum of Squares
Symbolic
Aspen Plus CatCracker uses objective functions that are in symbolic form.
Independent Variables
Independent variables are variables whose values can be changed
independently, for example, the feed rate in the CatCracker unit. The
optimizer can vary the values of independent variables to push the values of
the objective function in the defined direction (maximize profit or minimize
cost) until some bounds are reached. Each independent variable accounts for
3 Specifying Data
53
a degree of freedom. The number of degrees of freedom is equal to the

number of independent variables in an optimization run if no independent
variable is at its bound. You can impose upper and lower bounds on
independent variables to prevent the final solution from deviating too far
away from the starting point. You can also impose step bounds on
independent variables.
Bounds
Aspen Plus CatCracker lets you bound every variable in the problem as shown
below:
Xl < X < Xu
The step bound of an independent variable defines how much the value of the
variable can be changed in a single optimization run. The step bound is used
along with the initial value, lower bound, and upper bound to compute the
actual bounds to be used in the run:
Xl = max(X - |Xstep|, Xlower)

Xu = min(X + |Xstep|, Xupper)
You should define upper and lower bounds for all independent variables. You
can also define the step bounds for independent variables.
Most of the dependent variables in the CatCracker model have very wide
bounds, such as 1.E20 for lower bound and 1.E20 for upper bound.
However, some dependent variables have physical meaning. You should set
up appropriate bounds for them to prevent the solution from getting into
infeasible operating conditions. For example, there is a metallurgic limit on
regenerator cyclone temperature. Hence, an upper bound should be set for
this variable. Only those constrained dependent variables must be defined
when setting up an optimization case in CatCracker model.
In general, it is not recommended to heavily bind an optimization problem for
reasons that are both practical and algorithmic. Bounds on independent
variables are recommended in order to avoid unbounded problems. All other
bounds should be used only if they are absolutely necessary. The optimization
engine for CatCracker model is the DMO solver. For more information about
the DMO solver, refer to DMO Solver Background.
Setting up Objective Functions

To set up an objective function:
1
54
Select the AspenPlusCatCracker | Setup Cases | Profit x menu

command where x is the number 1, 2, or 3.
3 Specifying Data
Setup Cases | Profit 1 Command
A dialog box appears, listing the variables available to be used in the profit
calculation.
Add Variables to Objective Function Dialog Box
Select the principal variables to be used in the profit calculation, then click
OK.
The variables appear on the Profit sheet you selected in step 1.

To specify an incremental variable to adjust the principal variable value,
select the same AspenPlusCatCracker | Setup Cases | Profit x menu
command.
3 Specifying Data
In the dialog box, select any single principal variable, and then click
Setup Incrementals.
55
Setup Incrementals Button
A second list of incremental variables appears.

5
Select up to three incremental properties; then click OK.
Add Properties to the Selected Product Dialog Box
The incremental variables appear on the selected Profit sheet.

6
56
After selecting all the principal properties and incremental properties that
comprise the objective function, enter a value for each variable. For each
principal property, the variable name, the units of the variable, and the
units for the value will appear. Enter the appropriate value in the Value
column.
3 Specifying Data
Take care to properly match units. For example, if a flow rate is in

thousands of barrels per day, the value entered must be in dollars per
thousand barrels. If you select a unitless variable for the objective
function, such as conversion, the value will also be unitless.
7
Enter values for each incremental property. The Base is the value at
which the incremental property has no effect on the principal property. All
of the incremental properties are either unitless or have a fixed unit type
such as vol% aromatics.
Setting up Optimization Variables and

Bounds
In addition to setting up the objective functions used to optimize, you must
also set up the optimization variables and any bounds that are necessary. For
instance, you can choose to optimize Profit 1 by varying the feed rate of feed
1. However, the unit may have constraints to how much wet gas can be
processed, so the wet gas volume would be selected as a dependent
constraint variable.
The independent variables have the specification of Const if optimization has
never been set up before. However, not all variables with Const specification
in the model are included in independent variable list. Only those variables
that can be manipulated in the FCCU will appear. Those variables are
identified by Opt in Column R (titled Opt) on the SendVars sheet. The
default list of independent variables should be able to handle most
optimization runs. If you want to use other variables as independent
variables, you should manually set up those variables on the SendVars
sheet.
After a variable is selected on the independent list, the corresponding cell in
Column V (titled Opt Select) on the SendVars sheet will be set to YES for
this variable. When solving the optimization case, the variable will be sent to
the Command Line with the Optim specification. However, the SendVars still
keeps the original Const specification for this variable.
The dependent constraint variables have the specification of Meas or Calc.
However, not all variables with Meas and Calc specification appear in the list.
Only those variables that represent operation constraints in the FCCU will
appear. Those variables are identified by Opt in Column R (titled Opt) on the
ReceiveVars page. The default list of dependent variables represents all
constraints commonly met in FCCU operation. If you have a particular
constraint that is not represented by any variable on the list, you can
manually set up those variables on the ReceiveVars page. After a variable is
selected on the dependent list, the corresponding cell in Column Y (titled Opt
Select) on the ReceiveVars page will be set to YES for this variable.
Aspen Plus CatCracker displays only Const variables in the pick list for
independent variables and only Calc and Meas variables in the pick list for
dependent variables. This ensures that whatever set you choose will lead to a
well-posed problem.
3 Specifying Data
57
To set up optimization variables and bounds:

1
Click AspenPlusCatCracker | Setup Cases | Optimization as shown

below.
Setup Cases | Optimization Command
This will activate the Optimize worksheet and open a dialog box from which
you can select the desired independent variables (extra degrees of freedom)
and dependent constraint variables.
Setup Optimization Case Dialog Box
58
To select a variable, select the checkbox to the left of the variable name.
Clearing the checkbox of a selected variable will deselect the variable.
3 Specifying Data
When the independent variables and the dependent constraint variables

have been selected, click OK to complete the setup. The selected
variables and their current values will then appear on the Optimize
spreadsheet. Clicking the Cancel button will close the dialog box without
making any changes to the optimization problem. After setting up the
optimization, a message box will appear to remind you to Make sure the
profit function is defined before running the optimize case.
After selecting the desired independent variables and dependent

constraint variables, input lower and upper bounds in Columns C and F by
the appropriate variables. You can also enter step bounds for the
independent variables in Column G. The optimization is now ready to
solve.
Variables on Optimize Sheet
Save the worksheet in order to save the changes made to the Optimize
pages.
The optimization problem is now ready to solve.
Setting Up LP Vector
Calculations
In addition to letting you determine yields, temperatures, and product
properties, Aspen Plus CatCracker can generate LP vectors.
3 Specifying Data
59
4 Running Cases
Case Types
You can run five types of cases in the Aspen Plus CatCracker model:
Simulation Case
Parameterization Case
Optimization Case
Case Studies
LP Vector Generation Case
The Simulation Case is a simple what-if study. What changes to dependent

variables result from a specified set of independent variables?
The Parameterization Case fits the models kinetic rate constants and base
operating data to match an observed process operation, feed properties, and
product yields. This case is often referred to generically as a calibration
case.
The Optimization Case varies a defined set of independent variables to
maximize (or minimize) a specified dependent variable, the Objective
Function.
The Case Studies are a user-specified series of Simulation Cases. You can
vary independent variable values between cases. Specifications can not be
varied between cases.
The LP Vector Generation Case generates a set of derivatives between
specified dependent and independent variables that can then be used in the
formulation of LP vectors.
You can run all case types from either the CatCracker toolbar or the
AspenPlusCatCracker menu.
Running Cases from the CatCracker Toolbar

From the CatCracker toolbar, shown below, you can select the type of case
to be run from the Case Type list (circled).
60
Click the Run Case button beside it to begin execution of the case.
4 Running Cases
Case Type List-Box
Running Cases from the CatCracker Menu

You can also run cases using selections from the AspenPlusCatCracker
menu as shown below.
Click AspenPlusCatCracker | Run Case | type of case to begin

execution of the case.
Run Cases | Simulation Case Command
Solver Settings
A script file embedded in the EB Scripts spreadsheet (hidden by default)
controls the execution of each case. For Aspen Plus CatCracker, the following
solver settings are recommended for the simulation case type.
solver settings maxiter = 50
solver settings miniter = 0
solver settings creepflag = 1
solver settings creepiter = 10
solver settings creepsize = 0.1
solver settings searchmode = 3
solver settings factorspeed = 1
solver settings pivotsearch = 10
solver settings rescvg = 1.E10
solver settings objcvg = 1.E6
4 Running Cases
61
solver settings HESSIANUPDATES = 0
For many Simulation cases, the creepiter variable can be reduced to 5 or

even lower, to converge the cases more quickly. However, the default of 10
will allow the model to converge more robustly.
Key variables of interest to CatCracker users are:
Variable
Description
Maxiter
Maximum number of iterations allowed for solution
Miniter
Minimum number of iterations
Creepflag
Creep control flag: 0=off, 1=on
Creepiter
Number of creep iterations
Creepsize
Magnitude of steps as a fraction of the step size that

would be taken if the Creepflag were set to 0 (off)
Rescvg
Residual convergence tolerance
Running a Parameterization
Case
Parameterization means calibrating (or tuning) the model to match plant
operating data. A simple example would involve one measurement (a
temperature) and one parameter (a heat exchanger UA). The temperature
would be entered into the model and the UA would be calculated. Thereafter,
when running simulation cases, the UA would be constant and the
temperature would be calculated.
In Aspen Plus CatCracker, parameterization involves entering plant operating
data, such as flows, temperatures, pressures, and properties, while the model
automatically calculates the kinetic rate constants and other parameters
required to match them exactly.
Typically, AspenTech would have executed a project which included analyzing
plant test run data and tuning Aspen Plus CatCracker to match the operating
unit performance. The result of this project is the delivery of a data file
containing a parameterized Aspen Plus CatCracker case and a comprehensive
training course. You should initialize Aspen Plus CatCracker using this data
file. For information on loading a data file, see Loading Data Files on page 24.
You will need to parameterize Aspen Plus CatCracker again to better match
plant operations some time after the initial data file is delivered by
AspenTech. Many mechanical revamps affecting risers, feed nozzles, and
regenerator air grid make it necessary to re-parameterize the model. Even
when there has been no revamp, routine mechanical wear can affect the
contacting efficiency in the riser and regenerator, and thus change the heat
balance and yield selectivity from the values at initial delivery.
62
4 Running Cases
Aspen Plus CatCracker Options

The first step to running a parameterization is to select all the appropriate
options. Since the model was set up once already by AspenTech, the options
are probably already appropriate. However, it is possible that a change in
operating philosophy will require changing one or more of the options.
The options are described in the following table:
Option Title
Option
Description
Feed Rate
Basis
Input volume rates
Feed flow rates are entered on a volume flow basis
Input mass rates
Feed flow rates are entered on a mass flow basis
Input API
Feed density is entered as API gravity
Input SG
Feed density is entered as specific gravity (60/60)
K const for LP
Used for LP vectors only and should not be used for

Parameter cases. K factor and distillation are constant while
gravity is calculated.
Ca const for LP

Parameter cases. Feed carbon atom aromatic wt% and
distillation are constant while gravity is calculated.
H const for LP

Parameter cases. Feed hydrogen wt% and distillation are
constant while gravity is calculated.
Input API
For Parameter case, product density is entered as API gravity
Input SG
For Parameter case, product density is entered as specific

gravity (60/60)
Input volume rates
For Parameter case, product flow rates are entered on a

volume flow basis
Input mass rates
For Parameter case, product flow rates are entered on a mass

flow basis
Input volume rates
For Parameter case, product flow rates are entered on a

volume flow basis
Input mass rates
For Parameter case, product flow rates are entered on a mass

flow basis
Input vol, HN and

HCO rate const.
Product flow rates are entered on a volume flow basis. Heavy

naphtha and HCO flow rates are constant.
Input mass, HN and

HCO rate const.
Product flow rates are entered on a mass flow basis. Heavy

naphtha and HCO flow rates are constant.
Input vol, all use

TBP90

naphtha and HCO flow rates will vary based on the entered
TBP 90% targets.
Input mass, all use

TBP90

naphtha and HCO flow rates will vary based on the entered
TBP 90% targets.
Input vol, HN/LCO/

HCO rates const

naphtha, LCO, and HCO flow rates are constant.
Input mass,
HN/LCO/
HCO rates const

naphtha, LCO, and HCO flow rates are constant.
Fresh Feed
Gravity Basis
Product
Gravity Basis
Light Ends
Product Basis
Heavy Product
Rate Basis
Fractionation
Control
4 Running Cases
63
Option Title
Option
Description
Fresh Feed
Conradson
Carbon Basis
Input Concarb
Fresh feed Conradson carbon content is entered. Ramsbottom

carbon will be calculated based on the API conversion
method.
Input Ramsbottom
Fresh feed Ramsbottom carbon content is entered. Conradson

carbon will be calculated based on the API conversion
method.
Input Total N
Fresh feed total nitrogen is entered. The basic nitrogen will be

calculated based on the factor entered for each feed (default
value is basic = 1/3 * total)
Input Basic N
Fresh feed basic nitrogen is entered. The total nitrogen will be

calculated based on the factor entered for each feed (default
value is basic = 1/3 * total)
Flue Gas O2 const

float air vol
Regenerator flue gas O2 content will be the target, the

injected O2 rate is constant, and the air rate will be
calculated. The air and injected O2 rates are entered on a
volume basis for the Parameter case.
Flue Gas O2 const

float air mass
Regenerator flue gas O2 content will be the target, the

mass basis for the Parameter case.
Flue Gas O2 const

float O2 inj vol
Regenerator flue gas O2 content will be the target, the air

rate is constant, and the injected O2 rate will be calculated.
The air and injected O2 rates are entered on a volume basis
for the Parameter case.
Flue Gas O2 const

float O2 inj mass
Regenerator flue gas O2 content will be the target, the air

The air and injected O2 rates are entered on a mass basis for
the Parameter case.
Air and O2 inj const

float Flue Gas O2
Regenerator air rate and injected O2 rate are constant while

the flue gas O2 is calculated. The air and injected O2 rates
are entered on a volume basis for the Parameter case.
Bed T & FG O2 const

float Cat Cooler & air
vol
Regenerator flue gas O2 content and bed temperature are

both entered targets, the injected O2 rate is constant, and the
air rate and catalyst cooler duty will be calculated. The air and
injected O2 rates are entered on a volume basis for the
Parameter case.
Bed T & FG O2 const

float Cat Cooler & air
mass
Regenerator flue gas O2 content and bed temperature are

both entered targets, the injected O2 rate is constant, and the
air rate and catalyst cooler duty will be calculated. The air and
injected O2 rates are entered on a mass basis for the
Parameter case.
Bed T const float air

vol
Regenerator bed temperature will be the target, the injected

O2 rate is constant, and the air rate will be calculated. The air
and injected O2 rates are entered on a volume basis for the
Parameter case.
Bed T const float air

mass
Regenerator bed temperature will be the target, the injected

and injected O2 rates are entered on a mass basis for the
Parameter case.
Fresh Feed
Basic or Total
Nitrogen
Regenerator
Control:
Complete
Combustion
option
selected
Regenerator
Control:
Partial
Combustion
option
selected
64
4 Running Cases
Option Title
Pressure
Balance
Control
Light Naphtha
Front-End
Control
Option
Description
Bed T const float O2

inj vol
Regenerator bed temperature will be the target, the air rate is

constant, and the injected O2 rate will be calculated. The air
Parameter case.
CO2/CO const float

air vol
Regenerator CO2/CO ratio will be the target, the injected O2

rate is constant, and the air rate will be calculated. The air
Parameter case.
CO2/CO const float

air mass
Regenerator CO2/CO ratio will be the target, the injected O2

rate is constant, and the air rate will be calculated. The air
Parameter case.
CO2/CO const float

O2 inj vol
Regenerator CO2/CO ratio will be the target, the air rate is

constant, and the injected O2 rate will be calculated. The air
Parameter case.
CO const float air

vol
Regenerator CO vol% dry basis will be the target, the injected

Parameter case.
CO const float air

mass
Regenerator CO vol% dry basis will be the target, the injected

Parameter case.
CO const float O2 inj

vol
Regenerator CO vol% dry basis will be the target, the air rate
is constant, and the injected O2 rate will be calculated. The
air and injected O2 rates are entered on a volume basis for
the Parameter case.
CRC const float air

vol
Carbon on regenerated catalyst wt% will be the target, the

volume basis for the Parameter case.
CRC const float air

mass
Carbon on regenerated catalyst wt% will be the target, the

mass basis for the Parameter case.
CRC const float O2

inj vol
Carbon on regenerated catalyst wt% will be the target, the air

The air and injected O2 rates are entered on a volume basis
for the Parameter case.
All pressures const
Wet gas flash, reactor vessel, and regenerator vessel

pressures all constant.
WG to RX DP const
Wet gas flash to reactor vessel delta pressure constant, and

regenerator vessel pressure constant.
WG-RX and RX-RGN

DP const
Wet gas flash to reactor vessel delta pressure constant, and

reactor vessel to regenerator vessel delta constant.
Input RVP
The light naphtha (debutanizer bottoms) front end is

controlled by an entered RVP target.
Input C4
The light naphtha (debutanizer bottoms) front end is

controlled by a C4 vol% target.
4 Running Cases
65
Option Title
Option
Description
Catalyst
Activity
Control
Input ECAT MAT
Equilibrium catalyst MAT activity is entered as the target,

fresh catalyst make-up rate is calculated.
Input make-up rate
Fresh catalyst make-up rate is constant, and the equilibrium

catalyst MAT activity is calculated.
Reactor Plenum
Temp
Reactor Plenum Temperature is Constant, Riser Temp is

Calculated, Regen Cat SV % open and Spent Cat SV % open
are measurements.
Riser Outlet Temp
Riser Temp is Constant, Reactor Plenum Temperature is

Calculated, Regen Cat SV % open and Spent Cat SV % open
are measurements.
Regen Cat SV % &

Measured Plenum
Temp
Regen Cat SV % open is Constant, Riser Temp is Calculated,

Reactor Plenum Temp and Spent Cat SV % open are
measurements.
Regen Cat SV % &

Measured Plenum
Temp
Regen Cat SV % open is Constant, Reactor Plenum Temp is

Calculated, Riser Temp and Spent Cat SV % open are
measurements.
Spent Cat SV % &

Measured Plenum
Temp
Spent Cat SV % open is Constant, Riser Temp is Calculated,

Reactor Plenum Temp and Regen Cat SV % open are
measurements.
Spent Cat SV % &

Measured Plenum
Temp
Spent Cat SV % open is Constant, Reactor Plenum Temp is

Calculated, Riser Temp and Regen Cat SV % open are
measurements.
Riser
Temperature
Control
Select the appropriate options in the Options worksheet.
Entering Data for Parameter Cases

1
In the Options worksheet, select the appropriate options.
Change the blue highlighting of the data entry cells on the Param and
Simulate worksheets by clicking the Update Spec Color button on the
CatCracker toolbar. See Updating Spec Colors.
The next step is to enter all of the plant data highlighted in blue on the
Param sheet. The data is organized into the following groups:
Key Operating Data
Feed Properties
Preheat Temperature Control
Product Data for Reactor Parameterization
Product Data for Fractionation Parameterization
Catalyst Data
Mechanical Data
Tuning Data and Factors
For more information about these sections, see Param Worksheet.

4
In addition to entering plant data, you must select some combo box
options. After selecting any of these options, click the Update Spec Color
button. See Updating Spec Colors.
The combo-boxes of most interest are described below:
66
4 Running Cases
Feed Type: Feed types for feeds 1 through 10 must be selected. Choose
the feed type that most closely matches the actual feed being processed
in the CatCracker.
Distillation Type: VABP D1160 should not be selected for parameter

cases. Selecting the TYPE & All options is not as robust as selecting the
TYPE options. If the parameter case does not lead to a solution, try
selecting just the TYPE options for all feeds and products.
Feed Metals Option: The Enter feed metals option means that
reasonable feed metals analyses are available for all feeds, or that you will
enter zero for all feeds and ignore feed metals effects. Calc feed X metals
means that any error in metals balance will be lumped into that one feed
X.
Running the Parameter Case

8
Next, run the parameter case from the CatCracker toolbar or the
AspenPlusCatCracker menu.
a. Ensure that Parameter appears

in box. If not, click small arrow to
open menu, and select Parameter
b. Click the start button to run the case.

Running a Parameter Case
Typical execution time is between one and three minutes depending on the
number of creep steps and how close to a solution the model starts.
9
Finally, review the calculated results on the Analysis, Feed Blends, and
Cat Blend worksheets. A few areas of interest on these sheets are the
material balance, sulfur balance, heat balance, detailed individual and
blended feed compositions, and individual catalyst properties. Once these
data have been reviewed and are satisfactory, the parameter case is
complete.
Several sheets are refreshed to reflect the values that currently reside in the
model after a Parameter run is successfully solved:
Param sheet
Analysis sheet
Feed Blend sheet
Catalyst Blend sheet
4 Running Cases
67
Simulation sheet
The Analysis sheet should be thoroughly reviewed after running a Param

case. Investigate any inconsistent or unexpected results such as negative
yields before conducting further studies with the current data.
Once you have run and successfully solved the Parameter case, and carefully
reviewed the results on the Analysis sheet, save the data. See Saving and
Loading Data Files. Saving the data lets you load this data at any time so that
the starting point for subsequent solutions will be a valid parameterization.
Running a Simulation Case

Once the model has been parameterized and satisfactorily tuned to match
plant responses, you can use the model to predict how changes in feed rates,
feed properties, and operational conditions affect the yields and product
properties. Typically, AspenTech will have executed a project that included
analyzing plant test run data and tuning Aspen Plus CatCracker to match the
operating unit performance. The result of this project is delivery of a data file
containing a parameterized Aspen Plus CatCracker case and a comprehensive
training course. You should initialize Aspen Plus CatCracker using this data file
before running a Simulation case. See Loading Data Files.
1
Confirm the option selections made in the Parameter case. See the section
Aspen Plus CatCracker Options. Note that some of these options are only
applicable to Simulation cases.
Enter the new operating conditions, feed properties, or other targets of

interest on the Simulation worksheet. Note that any values entered on
the Param worksheet will be ignored for a Simulation case. For more
information about the data on this sheet, see Simulation Worksheet.
Set combo-box options available on the Simulation sheet has See the
Entering Data for Parameter Cases section to review information about
these options. The VABP D1160 option is now available. It should be used
only after running a Simulation case with the D1160 option or with one of
the TYPE & All options selected. Only then will the VABP D1160 option
yield valid results.
After changing any option or combo-box on the Options sheet or the
Simulation sheet, click the Update Spec Color button on the Aspen Plus
CatCracker toolbar to highlight the required data entry cells. See
Updating Spec Colors.
68
Next, run the Simulation case from the AspenPlusCatCracker toolbar or

the AspenPlusCatCracker menu. See the sections Running Cases from
the CatCracker Toolbar and Running Cases from the CatCracker Menu.
Typical execution time is between one and three minutes depending on
the number of creep steps and how close to a solution the model starts.
Finally, review the calculated results on the Analysis, Feed Blends, and
Cat Blend worksheets. A few areas of interest include sulfur balance, heat
balance, detailed individual and blended feed compositions, and individual
catalyst properties. Once you have reviewed this data and find it
satisfactory, the Simulate case is complete.
4 Running Cases
Note: Once the simulation case has been run, save this data using the Save
Case Data command. This will let you load this data at any time to use as a
valid starting point for subsequent cases. See Saving and Loading Case Data
Files.
Running Multiple Cases

In addition to single cases, Aspen Plus CatCracker lets you run multiple cases
at one time and retrieve the results into a single area that is easy to work
with. This can be useful if you want to see how the model responds to
changes in one or more variables. For instance, it might be desirable to see
how the product yields vary with changes in riser outlet temperature.
To perform this type of study, you would run multiple cases with different
temperatures and have the results reported. You can do this by running the
Case Study option.
Before you run a Case Study, you must set up the data for the Case Study.
See Setting up Case Studies.
Running the Case Study

1
On the Aspen Plus CatCracker toolbar, select the Case Study option;
then click the run button.
-orSelect the AspenPlusCatCracker | Run Cases | Case Study menu
command to run the case study.
The Select Case Study Range dialog box appears
Enter the first and last cases to run, then click OK.
If you do NOT want to calculate LP Vectors, clear the Calculate LP

Vectors? option.
The Command Line window appears and the Case Study starts with the first
specified case.
4 Running Cases
69
After each case is solved, the Command Line window closes while the data is
loaded into the spreadsheet. The Command Line window reappears as each
subsequent case starts. While the Command Line window is present, you can
click Abort to stop the case study. This stops the current run and subsequent
cases that were specified. For example, if you specified a run for cases 1
through 8 and you click Abort while case number 3 is being solved, the
model will quit solving case 3. In addition, cases 4 through 8 will not be
solved.
For Case Studies, none of the data on other worksheets is updated. After the
independent variable data have been sent, the cells are highlighted in blue.
Similarly, after the reported variables have been retrieved, those cells are
highlighted in blue.
LP Vectors Option
In addition to reporting values for all of the specified report variables, a set of
LP vectors can optionally be generated for each case. These LP vectors will
correspond to the LP vectors that have been set up on the LP Vector
worksheet. These will be reported in the LP vector section of the case study
page starting with row 1005. Column A lists the dependent variables and
Column B lists the independent variables. The values that are returned for a
case study will be highlighted in blue.
Running an Optimization Case

Before you run an optimization, you must set up the objective function and
the variables and bounds for the optimization. See Setting up Optimizations.
Solving the Optimization

1
From the AspenPlusCatCracker toolbar, select the Optimize option; then

click the run button.
-orFrom the AspenPlusCatCracker menu, click Run Cases |
Optimization.
The Select Objective Function dialog box appears.
70
Select an objective function. You select only one active objective function.
Select the direction of the optimization by selecting Max (for maximizing)

or Min (for minimizing). If the objective function is set up as a profit
function, select Max. If the objective function is set up as a cost function,
select Min.
Select the profit reports to update. Normally only the active objective
function is selected.
4 Running Cases
Select Objective Function Dialog Box
Click OK to complete the setup and send the data from the Optimization
spreadsheet to the model. Clicking Cancel will close the dialog box and
return to the Optimize worksheet.
After you select an objective function, the Command Line window appears.
Solving an Optimization Case
4 Running Cases
71
Changing the Behavior of the DMO Solver

To change the behavior of the DMO solver, click one of the buttons at the
bottom of the command window. Your selection will take effect at the start of
the next DMO iteration.
Click this button
To
Abort
Force the model to quit solving.
No Creep
Take the DMO solver out of creep mode. Use this to expedite
solving when the current run is close to the final solution, in
which case both the Residual Convergence Function and the
Objective Convergence Function are small and close to
convergence criteria. Refer to Chapter 7 for more details on DMO
solver.
Close Residuals
Cause the model to close the residuals without minimizing the

objective function convergence. The Close Residuals button is
useful in cases where the objective function very nearly reaches a
maximum value but the convergence of the objective does not
close.
There is another button, Close, at the very bottom of the dialog box. This
button is disabled during the optimization run. It is only active when no run is
being executed. Clicking the Close button will close the dialog box and return
the Excel interface.
After the model solves the optimization, the solution values are retrieved into
the Optimization page and the spreadsheet is updated. The corresponding
report page, Optimize page, and Simulation page are updated to the
current values in the model, but the Param page is not updated. On the
Optimize page, the values after the optimized values are placed into Column
E. If any upper or lower bound is reached, that value will be highlighted in
red. A typical optimization will take 3 to 5 minutes, but this could vary
depending on how difficult it is to reach a solution.
LP Vector Generation
In addition to letting you determine yields, temperatures, and product
properties, Aspen Plus CatCracker can generate LP vectors. Generating LP
vectors is a two-step process. You must first specify the independent and
dependent variables, then run the LP vector generation command. For
information on setting up the variables see Setting up LP Vector Calculations.
Running LP Vector Generation
72
On the AspenPlusCatCracker toolbar, select LP Vectors; then click the

Run Case button.
-orSelect the AspenPlusCatCracker| Run Cases | Generate Vectors
menu command to generate LP Vectors
4 Running Cases
The model will calculate all elements in the Jacobian (first order derivative
matrix) for the model equations, generate the desired vectors, and place the
results in the LP Vectors worksheet. The command line window will appear
for a short time while the Jacobian is being evaluated and while the LP
vectors are being calculated, but you cannot issue any commands at this
time. Typical execution time is about 20 seconds, although it can be more or
less depending on the number of many vectors being calculated.
LP Vectors Worksheet
4 Running Cases
73
5 Advanced Topics
Parameter Case Analysis

This section presents useful tips, tricks, and techniques to verify the quality of
the Parameter case. The accuracy of Aspen Plus CatCracker model predictions
is highly dependent upon the validity and quality of the test run data used
and the application of appropriate settings in the CatCracker model data.
The focus will be on a number of input/output sheets employed to set up and
run a Parameter case including Options, Param, Analysis, Feed Blends,
and Cat Blend. The Options sheet discussion is for setting up a parameter
case. After the parameter case has been run, the model calculation results
can be used to determine the quality of the data and the validity of the
options selected. The analysis discussion will be based on reviewing data
reported on the Analysis, Feed Blends, and Cat Blend sheets. The
parameter case results are useful to investigate the quality of the test run
data from the perspective of overall plant fundamental heat, material, and
chemical balances.
The various topics discussed include setting up options, input data tips, and
review of key analysis sheets.
Parameter Options on Options Worksheet

Review the Options worksheet. A few of the key options are reviewed here
with particular impact on parameter cases. It is important that some specific
options are used or not used for the Parameter case.
As mentioned in that section, after you change the options, you must click the
Update Spec Colors button on the toolbar. This will change the cell color to
blue for all the mandatory data entries.
Feed Rate Basis

The Feed Rate Basis option allows specification of feed rates in either mass
or volume flow units. The units of measure are determined elsewhere in a
script file. However, the flow basis must be selected for a parameter case and
not changed for other cases. If the flow basis is changed after running a
Parameter case and then a Simulation case is run, all of the feed flow rates
must very carefully be changed throughout the interface. Otherwise, the
74
5 Advanced Topics
model could easily encounter an infeasibility with an apparently either huge or

very small feed flow rate.
Feed Gravity Basis

The Feed Gravity option allows various methods of calculating or specifying
the feed gravity. For Parameter cases, you must select either the Input API or
the Input SG option. The other options are used only for generating LP
vectors. The gravity basis should not be changed after running a Parameter
case or there is the risk that the feed flow rate and characterization
calculations will become infeasible. For example, an API of 0.88 will generate
a feed composition that looks like FCCcycle oil, whereas a SG of 0.88 may
generate a very typical VGO characterization.
Product Gravity Basis

The Product Gravity option allows the selection of either API or SG to be
entered for Parameter case data. This has no impact on case modes other
than Parameter. However, if you change this option, take great care to enter
the Parameter case gravities on the correct basis.
Light-Ends Product Rate Basis

The light-ends flow rate may be entered on either mass or volume flow rate
basis. This option is similar to the product gravity option in that it only affects
the Parameter case.
Heavy Product Rate Basis

The heavy product flow rates may be entered on either mass or volume flow
rate basis. This option is similar to the product gravity option in that it only
affects the Parameter case.
Fractionation Control
This option allows the selection of how the fractionation is controlled to best
match the actual plant operations. It is common for heavy naphtha and HCO
to be on draw rate targets, but these draw rates may be specified in either
volume or mass rate units.
When selecting the All Use TBP90 option, you should be very careful when
running simulation cases so that the adjacent 90% targets dont get so close
that they become infeasible. All the other options here tend to be much more
robust.
Fresh Feed Basic or Total Nitrogen

This option provides flexibility in the feed nitrogen content to be entered as
either basic nitrogen or total nitrogen. Internally, Aspen Plus CatCracker is
always driven by basic nitrogen. If the Total Nitrogen option is selected, the
5 Advanced Topics
75
model will determine the basic nitrogen by applying a basic-to-total ratio of

1:3.
Regenerator Control
This regenerator control option has no impact on the parameter case. All
options selected require the same input data to parameterize the regenerator
kinetics. However, it makes sense to select the option that is appropriate for
running simulation cases. Most often, it is best to try to mimic the advanced
control scheme of the regenerator. If advanced control has not been
implemented on the unit, then the operation philosophy should be used to
determine the most appropriate regenerator option.
The first and most important choice to be made is to select either complete or
partial combustion mode. Typically, if the excess O2 in the flue gas is over
0.5% and the CO is close to zero, the unit is most likely in complete
combustion (sometimes called full burn mode). Partial combustion is noted by
very low O2 in the flue gas (less than 0.5%) and a substantial amount of CO
(over 1%). It is common to have 5% or even greater CO in the flue gas in
partial combustion units.
Pressure Balance Control

The pressure balance control is used to approximate the advanced control
system behavior. However, for Parameter cases it is best to select the All
Pressures Const option. This means that the pressures must be entered for
regenerator, reactor, and wet gas flash (fractionator overhead accumulator)
pressure. The model will then calculate the delta P between the various
control points. After the Parameter case is run, the most appropriate option
can be selected confidently without fear of getting the delta P sign incorrect.
Param Sheet Input - Key Operating Data

The WG to RX DP Const option means that the regenerator pressure is
constant at whatever value is entered for the regenerator. In addition, the
wet gas suction pressure is also held constant at the user-input value. The
reactor pressure will be determined from the back-pressure through the main
fractionator as determined from the parameter case calculations.
The WG-RX and RX-RGN DP Const option means that the wet gas suction
pressure and reactor/regen Delta P are held constant at the user input values.
The reactor pressure will be determined from the back-pressure through the
main fractionator as determined from the parameter case calculations. The
regenerator pressure is calculated from the reactor pressure plus the
reactor/regen Delta P input value.
The key operating data entered on the Param worksheet is described below.
Regenerator Temperatures
The Regen Flue Gas Temp should always be at least a few degrees higher
than the Regen Bed Temp. If this is not the case, then you take the risk of
making the regenerator dilute phase kinetics infeasible.
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Carbon on Regen Catalyst

The Carbon on Regen Cat should never be set to 0.0%. In fact, it is rarely if
ever less than 0.03% in real operating units and typically runs at about
0.05% for most complete combustion units. Partial combustion units operate
from 0.05% and higher, often running at or above 0.10%.
Flue Gas Composition

None of the flue gas compositions should ever be set to zero. If the actual
value is not known, then one should be estimated from historical data, if
available.
In complete combustion units, it is common for the CO to not be reported or
even analyzed. If it is reported, the results are often inaccurate due to poor
calibration. In this case, set the CO to 0.05%. In any case, the CO should
never be set below 0.05% in a Parameter case. Check with the laboratory to
see if argon is included as O2 in the analytical method being used; this is
typical of many GC methods. If this type of data is entered, the coke yield will
be under-estimated.
In partial combustion units, the O2 might not be reported or reported as
0.0%. In this case, set the O2 to 0.05%. In any case, the O2 should never be
set below 0.05% in a Parameter case. If the reported value for O2 is at or
above 0.9%, check with the laboratory to see if argon is included as O2 in the
analytical method being used; this is typical of many GC methods. If the O2 is
very much above 0.3%, the analysis may be bad or poorly calibrated for such
a low concentration of O2 as is normal in a partial burn unit.
Air Rate
The air rate to the regenerator is entered on a wet basis. The total air rate
should include all air sources such as aeration or lift air to the catalyst
transfer lines and regenerator standpipe.
Pressure Balance
In a Parameter case, the All Pressures Const option should be used to specify
the unit pressure balance. The Sign of Rg/Rx DP should be set to either 1.
or +1. to achieve the appropriate value for the Rg/Rx DP value. The
appropriate value is defined as whatever is recorded by the advanced control
system or DCS. It is typical for this DP to be always recorded as a positive
number.
Heat Removal
The steam flow rates are set to a very small number by default. These should
never be set to exactly 0.0 or the model equations will become singular.
Similarly, if there are not bed coils in the operating unit, the number of bed
coils and the surface area per bed coil should be left at the default non-zero
values.
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Param Sheet Input - Feed Data

The feed data entered on the Param worksheet consists of the following for
each feed:
Feed Type
S Crackability
Refractive Index and Viscosity
Distillation Type
Feed Metals Option
Feed Type
Select the feed type that most closely matches the feed entering the unit.
VGO is the most common feed. In cases where high-pressure hydrotreatment
is involved, select the HTVGO feed type. Heavy resid processors should select
the RESID feed type. Other much less common feed types processed include
coker gasoils (LCKGO, HCKGO, MXCKGO) and Syncrude (SYN). If the feed
type selection is still unclear, please contact AspenTech customer support for
additional advice.
S Crackability
This value indicates how easily the sulfur compounds are removed from the
feed. It correlates with the amount of thiophenic compounds in the feed itself.
A VGO feed type sulfur crackability should be set to 0., whereas coker gasoil
sulfur crackability should be set to 1.0 where most of the remaining sulfur
compounds are thiophenic. A hydrotreated feed sulfur crackability depends on
the severity of hydrotreatment and should be set at about 0.5. However,
since hydrotreated feeds typically have very little sulfur remaining in them,
the value is normally much less important than for VGOs.
Refractive Index and Viscosity

The refractive index has a significant impact on the feed characterization
aromatics content. If the lab data is available, then it is recommended that it
be entered. However, if lab data for the specific feed sample being evaluated
is not available, do not enter in a value estimated from historical data. Even a
small error in the RI can mean a large swing in the aromatics content. In this
case, it is better to change the RI data option to Estimate, meaning that the
model will use a correlation to estimate the RI consistent with the distillation
and gravity of the feed sample.
The viscosity also contributes to the estimate aromatics content but is much
less important than the RI. If the viscosity data is not available from the lab
then it should be estimated by switching the Visc Option to Estimate.
Distillation Type
In a Parameter case, only the following options should be chosen: D2887,
D1160, D86, or TBP. After the Parameter case has been run, the other
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options can be used to report additional distillation types, and VABP control
mode can be used for LP vector generation. These other options may be
selected in subsequent Parameter cases as long as the basic distillation input
data has not changed.
Feed Metals Option

Aspen Plus CatCracker performs a metals balance calculation. In essence, the
mass rate of metals being deposited on the catalyst is forced to match the
mass rate of metals being removed from the unit. The deposited metals enter
the unit as part of the fresh feed and a very small amount on the fresh
makeup catalyst. The metals are then removed from the unit along with
catalyst fines losses and catalyst intentionally withdrawn from the regenerator
(called spent or equilibrium catalyst).
The metals balance derived from plant must be reconciled. This is because
the data used to define the metals balance is the result of averaged
equilibrium catalyst metals content, average catalyst fines metals content,
and often, instantaneous feed metals content. The actual unit acts as an
integrator; absorbing a variety of metals levels in the feed and varying feed
rates all the while the fresh catalyst make up rate being fairly constant. In
addition, metals analyses of CatCracker feeds are taken only infrequently and
is not done as part of usual plant data collection. In addition, the metals
analyses of the catalyst and feed are subject to significant errors and in any
case, they do not account for tramp metal from the process units.
The Parameter case provides an opportunity to allocate the errors in the
metals balance reconciliation. The most straightforward way of doing this is to
select one of the feeds to allocate all the error to. For example, if only feed
number one has been entered in the Parameter case, select the Calc Feed 1
Metals option. When the Parameter case is run, the model will back-calculate
the feed number one metals content based on a perfect metals balance. This
is an interesting approach because it determines the average amount of feed
metals that have entered the unit over the long term. (Note: The feed metals
calculated in this way would include tramp metals.)
A second way to handle the metals balance is to assign the metals balance
error to parameters. This is accomplished using the Enter Feed Metals option.
In this case, the best available metals data for the non-zero rate feeds are
entered into the Param sheet. The model will calculate the delta between the
average feed metals from the input data and the average feed metals backcalculated from the metals balance. The delta may be positive or negative
and will be assigned to the parameter values. In future simulation or
optimization cases, the deltas will be added to any entered feed metals input
data.
A third way to handle the metals balance is to ignore it. If there are no
specific metals issues of interest at the particular process unit, or if the
parameter case in question will not be used to analyze metals issues then this
may be perfectly appropriate. To do this, select the Enter Feed Metals option
and enter zero for all the feeds with a non-zero flow rate. The model will
calculate the delta between the average feed metals from the input data
(zero) and the average feed metals back-calculated from the metals balance.
The delta in this case will exactly be the average feed metals content given
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the entered fresh and equilibrium catalyst metals content. In future

simulation or optimization cases, the deltas will be added to any entered feed
metals input data. Therefore, all feeds will automatically be assigned the
average feed metals content although the input data is shown as zero.
Param Sheet Input - Heavy Liquid Product

Streams
There are two areas where distillation data are entered, the reactor
parameterization and the simple fractionator parameterization areas. The
distillation types selected should be one of D2887, D1160, D86, or TBP for a
Parameter case. After the Parameter case is run once, then the type can be
changed to one of the Dxxx & All selections.
Param Sheet Input - Catalyst Data

The average fresh catalyst properties are calculated in the Excel sheet using a
formula that blends the properties on a mass blend basis. The average
properties are reported in the Blend column. Once the fresh catalysts have
been selected from the combo-boxes and the percentage makeup has been
entered, the blend properties are immediately available. The fresh blend
properties should be compared to the ECAT and fines catalyst analyses
entered. The MAT and surface area must be lower than the blend values. The
Iron and Sodium values must be higher than the blend values. If the
equilibrium catalyst data from the lab does not follow this trend, the fresh
catalyst types and Mix wt% should be checked. If there is still disagreement,
contact AspenTech customer support for additional consulting.
Feed Blends Sheet Review

There are many areas on the Feed Blends sheet that may be of interest
depending on the specific CatCracker unit. A few of the essential items that
are important to all CatCracker units are discussed briefly below.
Lab Data versus Estimations

Compare the model-estimated RI and viscosity with the lab data. Large
differences in these values might imply that the feed properties are
inconsistent. Review the feed gravity for significant errors.
Aromatic Content
Compare aromatics estimations from the Total method and from the
contribution that each feed makes to the total aromatic pool. If the correlation
predicts either lower than 15% or higher than 25% aromatics, review the
feed type being processed and the feed properties to ensure the result is
rational. Also, consider using an Estimated RI instead of a Lab RI data entry.
It is also worthwhile to review the full 19-lump composition data reported for
the blended total feed. For a Parameter case, the ring balance can indicate
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inconsistent data. For example, the total bottoms yield should not be too
close to the total 3-ring concentration in the blended feed. The 3-ring
aromatics can only convert to coke or remain un-cracked as bottom material.
If the bottoms yield target is too low, the parameter case may be infeasible.
Cat Blend Sheet Review

Reported on the Cat Blend sheet are the final yield factors for each catalyst
after the compositional shifts and the yield factors for the blended catalyst.
Analysis Sheet Review

The data available on the Analysis worksheet consists of the following:
Material Balance
Heat Balance
Feed Vaporization
Reactor Dilute Phase Cracking
Material Balance
The material balance section reports the errors in the mass flow rates. These
errors are the results of reconciling the material balance information derived
from the input data. By default, AspenPlusCatCracker puts the mass balance
error in the light naphtha stream. If this error is greater than about 2-3% of
the total feed mass rate, the flow rate and gravity information should be
reviewed.
The standard cut products section reports the volume percent of the standard
cut yields derived from the observed plant data. The standard liquid cuts
include C5-430F, 430-650F, and 650F+ streams.
The sulfur balance section reports how the feed sulfur is distributed among
the products. The sulfur in H2S should be roughly half of the feed sulfur.
The conversion section reports feed conversion on a standard 430F cut point
basis and on an observed naphtha flow rate basis.
Heat Balance
The heat of cracking section reports the actual and theoretical heat of
cracking. If the difference between these two values is greater than 40 or 50
BTU/lb. of feed, then the regenerator data should be reviewed for consistency
and perhaps compared to historical data. For example, it is not unusual to
have as much as a 10% error in the air flowrate measurement. In addition,
the flue gas analysis can have a significant impact on the heat balance
calculation as well.
To determine if the flue gas analysis is in question, review the hydrogen on
coke report section. If the total coke average hydrogen content is outside the
range of 5-8%, there is a good chance that the flue gas analysis is in error.
However, there are a very few units operating around 5% (unusually good) or
over 8% (unfortunately quite bad).
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The coke distribution report section should be reviewed. The stripper source
coke should be roughly 15%; this is actually input directly on the Param
sheet. The kinetic coke should be anywhere from 50% to 80%.
If the metals coke is greater than 15%, great care should be taken to ensure
this is reasonable. For example, the nickel equivalent should be quite high
and with little or no nickel passivation additive. If this is not the case, then
there is a real possibility that the H2 yield is too high. A review of the light
gases flow rate and/or the composition might reveal an error.
Feed Vaporization
The riser feed mix conditions section reports the composition of the total riser
feed, the temperature of the catalyst plus feed oil mixture at the bottom of
the riser, and the calculated dew point. If the dew point is close to or below
the mixed temperature, then some care should be taken to review the feed
distillation, gravity, and cat/oil ratio. If the conditions are judged legitimate,
then the non-vaporized feed coke option should be considered. This will have
a significant impact on the incremental coke make due to incremental feed
rate.
Reactor Dilute Phase Cracking

The riser/reactor catalyst inventory section reports the amount of catalyst
held up in the catalyst dilute phase. If it is understood from the unit designer
that there is a significant catalyst holdup in the reactor dilute phase, then the
dilute phase volume and resulting catalyst inventory should be adjusted to
provide the appropriate amount of post-riser cracking.
Model Tuning
Heat Balance Tuning
The heat balance for Aspen Plus CatCracker can be tuned so that the
regenerator response to changes in feed rate or preheat temperature match
expected values. This tuning can be achieved by changing key parameters in
the stripper model and running a parameter case.
The stripper source coke is defined as the hydrocarbon entrained with the
catalyst in the stripper and then transferred to the regenerator where it
appears as coke and is burned. This stripper coke is relatively high in
hydrogen content, causing a much higher heat of combustion than the feed
and kinetic sources of coke. Therefore, it is much more detrimental to the
regenerator bed temperature, resulting cat/oil ratio, and finally the
conversion. Also, the stripper source coke has roughly the same composition
as the reactor effluent (50% of the hydrocarbon is highly valued gasoline).
Two key parameters can be used to tune the stripper model, the performance
slope, and the percent of total coke whose source is the stripper. Typical
values of performance slope are between 0.5 and 1. A typical value for the
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percentage of coke generated from the stripper is 15%. You may enter new
values for these in the TUNING DATA section of the Param sheet.
The biggest handle for tuning the stripper is the performance slope. If you
want the regenerator temperature to have a larger increase for an increase in
feed rate, increase the performance slope. It is recommended that this slope
is not increased to more than 4 or 5.
For example, in the Aspen Plus CatCracker demo problem the regenerator
temperature is 1300 F in the base case. Upon a 10% increase in the feed
rate, the model predicts that the regenerator temperature increases to 1311
F, or an increase of 11 F. If this increase in temperature is too low, the
model can be re-tuned by increasing the performance slope of the stripper.
You should enter a new performance slope in the TUNING DATA section on
the Param sheet. The figure below shows that a value of 2 has been entered.
Then run a parameter case. Select Parameter from the combo box on the
Aspen Plus CatCracker toolbar and click the run button.
Change stripper performance slope to 2 and run a parameter case
After the parameter case has been run, determine the new regenerator
response by running another simulate case. On the Simulate sheet, enter the
new flow rate as shown below. In the demo case, a 10% increase corresponds
to a new feed rate of 33 MBBL/DAY. Enter this in the FEED DATA section as
the volume flow for feed 1 (the only feed that has a non-zero flow rate for the
demo case).
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Increase feed rate by 10% and run a simulate case
After the new flow rate has been entered, select Simulate from the combobox of the Aspen Plus CatCracker toolbar and click the run button. After the
model has solved, the results for the regenerator temperature appear in the
section KEY OPERATING DATA on the Simulate sheet. In this case, a 10%
increase in feed rate causes the regenerator temperature to increase from
1300 F to 1317 F.
View results after simulation case is run to observe regenerator response
If the increase in regenerator temperature is still too small, you may again
increase the performance slope of the stripper and run another parameter
case. After a parameter case has been run, you may run another simulate
case with a 10% increase in feed rate to observe the regenerator temperature
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response. In this case, by doubling the performance slope again to 4, the

regenerator temperature increases to 1321.6 F for a 10% increase in feed
rate.
It is recommended that the performance slope not be changed to a value
greater than 4 or 5. If the regenerator response is still not what is expected
after the performance slope has been changed, you may change the percent
of total coke that comes from the stripper. As with the performance slope,
this data can be entered on the Param sheet in the TUNING DATA section.
A maximum value of 25% to 30% should be used. In the example shown
below, a value of 30 has been entered. After entering a new value, run a
parameter case.
Increase the percent of total coke due to stripper from 15 to 30 percent and
run a parameter case
After the Parameter case has been run, again run a Simulate case with a 10%
increase in feed rate. In this case, by increasing the percent of coke from the
stripper to 30% and keeping the performance slope at 4, the model predicts
the regenerator temperature to be 1324.8 F for a 10% increase in feed. Note
that if the increase in regenerator temperature is still not high enough, the
performance slope and percent of total coke due to stripper should not be
increased beyond 5 and 30 respectively. You should contact Aspen
Technology if the desired regenerator response cannot be achieved with these
constraints.
Over-cracking
The Aspen Plus CatCracker model allows you to tune the cracking kinetics so
that the naphtha over-cracking peak occurs at the right temperature. Before
tuning the over-cracking peak, you should first determine where the model
predicts over-cracking to occur. This can be done using the case study
feature. Set up a Case Study that varies the riser temperature and reports
the naphtha yield.
Begin the case study by selecting the menu command
AspenPlusCatCracker | Setup Cases | Case Study. This will open the
Setup Case Study dialog box, which contains two pick lists, one for the
independent variables and one for the dependent variables. From the
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independent variable list, select the variable that is used to control the riser
temperature: reactor plenum temperature, riser overhead temperature, regen
cat slide valve percent open, or spent cat slide valve percent open. Only the
variable that is used for controlling the riser temperature will show up in the
pick list. From the dependent variable list, select the variable for debutanizer
bottoms yield on a fresh feed basis. You may also select any other variables
from the dependent variable list that are of interest. After the appropriate
variables have been selected, click OK.
Select the reactor plenum temperature as the independent variable and select
the debutanizer bottoms on a wt% fresh feed basis as the dependent variable
Once the Case Study is set up, you should enter the different values of the
independent variables that will be used in the case study. In this example, the
reactor plenum temperature is the control target. The base model is
parameterized to a value of 990 F. Five cases will be run starting with 980 F
and ending with 1020 F. Before the data is entered, delete any data from
previous case studies that is in columns that will be used. Then enter the
values for the reactor plenum temperature in the appropriate cells as shown
below. Also, select (in row 8) the desired number of creep steps for each
case. If you don't know how many creep steps to use, try the typically safe
value of 10.
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Enter data for the reactor plenum temperature for each case in the case study
Once the case study is set up and the data has been entered for the
independent variables, the model is ready to run. Select the Case Study
option from the Aspen Plus CatCracker toolbar and click the run button.
Immediately, a dialog box appears, asking for the first and last cases to be
run.
Enter first and last cases to run
In this example, 1 is the first case and 5 is the last case. The Calculate LP
Vectors option is selected by default. Clear this option if you do NOT want to
have LP Vectors calculated. If you do not clear this option, LP vectors will be
run for each case and reported in rows 1000 and higher on the Case Study
worksheet. The LP vectors that are run will be based on the settings on the
LP Vectors worksheet. When you have entered the information, click the OK
button.
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Case study results
After the case study is run, you can detect the over-cracking peak by
manually inspecting the data or using the built-in Excel capability of graphing
the data. In this case, a maximum value of debutanizer bottoms occurs
between 990 F and 1000 F. At this point you can start tuning the overcracking peak.
Over-cracking peak for an Ea/R value of 60,000
The first step to tuning the over-cracking peak is to select the option Reset
Ea/R from the naphtha over-cracking combo-box on the Param worksheet.
This combo-box appears toward the bottom of the sheet, in the Tuning Data
section. The Reset Ea/R option fixes the reference reaction rate so that you
can move the activation energy by large amounts without causing the
reaction rate to get so large that the model can no longer solve. After
selecting this option, enter a new value for Ea/R and run a parameter case.
To shift the over-cracking peak to a higher temperature, decrease Ea/R. To
shift the over-cracking peak to a lower temperature, increase Ea/R.
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Select the Reset Ea/R option for naphtha over-cracking
After the parameter case with the new Ea/R value has been run, run another
case study to see how the over-cracking peak has shifted. In this example,
the Ea/R was decreased from 60,000 to 50,000. An increased temperature for
over-cracking should be the result. Since the case study is already set up, you
need only to select Case Study from the Aspen Plus CatCracker toolbar again
and click the run button. From the first dialog box click OK, then click either
Yes or No in the LP vector dialog box.
After the case study is run, you can look at the results in the independent
variables. If the data has been graphed, the graph will be automatically
updated with the new data, if the same case study range was used. The
figure below shows a graph of the updated over-cracking peak. In this case
over-cracking occurs between 1000 F and 1010 F. This result agrees with
the expectation that the over-cracking peak should increase with decreased
Ea/R.
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Over-cracking peak for an Ea/R value of 50,000
You may continue to run various parameter cases at different Ea/R values
followed by case studies until the desired over-cracking peak is achieved. At
that point, you should set the naphtha over-cracking option back to default
and run another parameter case. This will set all variable specifications back
to the default values.
Catalyst Makeup versus MAT
Makeup Rate versus MAT. Frac = makeup rate/inventory
If the value of the fractional make-up rate is small (less than 5%), you will
typically not need to tune the response of make-up versus MAT activity.
However, if Frac is too large (5 to 10%), the model can blow up when trying
to increase activity. In that case, you can increase the value of the variable
CATP.BLK.MDADJ_METALS_DEACT_BASE to decrease the sensitivity of
make-up rate to MAT activity.
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Tuning parameter: Decrease the cat inventory to get into the region of 0.5%.
Cat inventory should be viewed as the active catalyst inventory in the unit,
not the total amount of inventory as viewed by the refiner.
If regen and rx cat losses are set too high, then the model can get into
trouble when trying to achieve the activity target. When decreasing the MAT
target, the makeup rate will decrease. However, the minimum makeup rate is
equal to the total fines losses and therefore, there is a minimum feasible MAT
target.
The equation to determine the fractional makeup rate is as follows:
X_Frac_MUP= X_Cat_deact_K * (X_Equil_cat_ZACT + X_HTdeact_Term *
X_Cat_deact_P4) / (X_Cat_deact_Param *
X_Fresh_Cat_ZACT - X_Equil_cat_ZACT - X_HTdeact_Term
* X_Cat_deact_P4)
The term X_Htdeact_Term * X_Cat_deact_P4 is small compared to the
other terms in the numerator and the denominator so the fractional makeup
rate can be approximated with the following equation:
X_Frac_MUP= X_Cat_deact_K * X_Equil_cat_ZACT / (X_Cat_deact_Param
* X_Fresh_Cat_ZACT - X_Equil_Cat_ZACT)
Or directly calculating the makeup rate using the names of the variables in
the model:
RREXP.BLK.MAT_FRESH_CAT_MUP = RREXP.BLK.MAT_TOTAL_UNIT_INV*
RREXP.BLK.MAT_CAT_DEACT_K* RREXP.BLK.MAT_EQUIL_CAT_ZACT/
(RREXP.BLK.MAT_CAT_DEACT_PARAM* RREXP.BLK.MAT_FRESH_CAT_ZACTRREXP.BLK.MAT_EQUIL_CAT_ZACT)
In this equation, the equilibrium and fresh catalyst ZACT values are fixed
based on the MAT activity values. The total catalyst inventory is constant and
the fresh makeup rate is fixed for a Parameter case. The catalyst deactivation
parameter is calculated in a Parameter case to match the input catalyst
makeup rate. The only other variable that can be changed to achieve the
correct response is the catalyst deactivation K. The variable
CATP.BLK.MDADJ_METALS_DEACT_BASE will change the calculated value
for the catalyst deactivation K.
Adding New Catalysts

Aspen Plus CatCracker comes preconfigured with several catalyst types from
which to choose. The catalyst type will affect yields, selectivities, and product
qualities. This is accomplished in Aspen Plus CatCracker with catalyst factors
that are used as multipliers or additives to various parameters in the model.
Analyses to determine the factors are performed by Refining Process
Services.
In addition to being able to choose from the preconfigured catalyst types, you
can choose to have the catalysts that you use analyzed. These new factors
can then be easily added to the Excel GUI for Aspen Plus CatCracker.
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Work Process
All catalyst factors are stored in the hidden worksheet CST Factors. In order
to add a new catalyst, you must first unhide this worksheet. Adding new
catalysts is a three-step process.
1
Unhide the CST Factors Worksheet
Add the Catalyst Data
Re-hide the CST Factors Worksheet
Unhiding the CST Factors Worksheet

To unhide the CST Factors Worksheet:
1
On the menu, click Format | Sheet | Unhide.
This opens the Unhide dialog box that contains all the hidden worksheets.
Unhide Dialog Box
Select the worksheet CST Factors; then click the OK button.
Adding Catalyst Data

To Enter Catalyst Information:
92
On the CST Factors worksheet, go to the first blank column on the page.
Enter the catalyst name in Row 1.
Enter the catalyst ID in Row 2. The catalyst ID should be a unique integer

that identifies the catalyst. Because values between 1 and 1000 are
reserved for the default catalysts that come with the model, you should
assign a value of 1001 or greater to any new catalysts.
In Row 3, you can enter the catalyst vendor.
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CST Factors Worksheet
Enter the catalyst factors for the new catalyst in Rows 4 through 73.
Once these values have been entered, the new catalyst is ready to use.
Re-hiding the CST Factors Worksheet

Before connecting to the model, you should first hide the worksheet again and
save the workbook.
To re-hide the CST Factors Worksheet:
On the menu, click Format | Sheet | Hide.
This hides the sheet you are currently have open, so make sure that you are
still in the CST Factors worksheet.
After the CatCracker model is loaded, the new catalyst should appear as the
last item in the pick list.
If you are already connected, you can also update the combo-boxes for
catalyst type.
To update the combo boxes for Catalyst Type:
Select Aspen Plus CatCracker | Development Tools | Update

Catalyst Combo Boxes.
Note: Do not use this option with Excel 97.
Feed Characterization
Aspen Plus CatCracker allows you to select a feed type and input feed quality
information that will adjust the kinetic lumps associated with that feed. This
characterization uses two types of data: a feed fingerprint and standard
inspection properties. The fingerprint can be calculated from detailed feed and
product analyses including GC/MS, 13C NMR, distillation, S content, and HPLC.
These fingerprints are used to define the basic character of the feed type or
class being processed and can be adjusted somewhat to match more routinely
available bulk properties like distillation and gravity. Fingerprints for many
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feed types have been provided with the Aspen Plus CatCracker model so that
you need only to select the feed type and input bulk properties. Feed
composition changes are taken into account using the feed bulk inspection
properties described in Feed Properties.
Feed Properties
Typical Feed Properties to Adjust Fingerprints
Test
Method
Distillation
D2887, D86, or D1160
API Grav @60
D287
Sulfur, wt%
D4294
Viscosity @ 210 F, cst
D445
Total Nitrogen, wt%
D4629
Conradson carbon, wt%
D4530
Metals (Cu,Fe,Na,Ni,V), ppm/wt

Refractive Index
D1747
Distillations are used to reshape the distribution of mass in the fingerprint and
determine the mass of material in the boiling ranges for the gasoline, light,
heavy and resid lumps. The gravity, sulfur, viscosity, and refractive index are
used to determine the aromaticity of the feed. You have the option to
estimate the RI or viscosity if the data is not available or if the error of
measurement is too large. Conradson carbon is used as a part of the coke
calculation in the risers, reactor, and regenerator. Nitrogen and the metals
are used to calculate catalyst activities.
The adjustment method used assumes that provided a fingerprint of a coker
gasoil for a reference, the inspection properties, and distillation for another
gas oil will shift the aromatics in the correct direction. This same principle
applies to any other type of feed as long as there is a representative
fingerprint available. If no suitable fingerprint is available, contact Aspen
Technology about generating a fingerprint and adding it to the interface.
Selecting Feeds and Entering Property

Information
You should first select the feed types for each feed that is being used. This
can be done on the parameter page or the simulate page. The figure below
shows the feed selection combo box for the first feed. There is one for each of
the ten possible feed slots and you should specify the appropriate feed type
for any feed that has a non-zero flowrate.
94
5 Advanced Topics
Selecting a feed type for Feed 1 using the combo box.
Once the feed type is selected for each feed, you should select the RI option,
Viscosity option, and distillation option for each feed being used.
You should select to either enter a Lab measured RI value or to have the
value estimated from other data from the RI combo box. Typically, unless the
RI data is of high quality, it is recommended that you select the Estimate
option. If you select the lab measured RI option and poor quality data is
entered, the model may not solve, since the Ca value is highly correlated with
the RI value.
Selecting the desired RI option for Feed 1.
From the viscosity option combo box you should select to either enter a labmeasured viscosity in cSt or SUS or have the viscosity estimated from other
properties. Unless the lab data is high quality, it is recommended that you
select to have the viscosity estimated. However, since Ca is only weakly
correlated with viscosity, errors in lab measured values should not cause
robustness issues.
Selecting the appropriate viscosity option for Feed 1.
Finally, you should select the distillation type from the distillation combo box
for each feed. You may select from D2887, D1160, D86, and TBP. For each of
these options, you may also select &all. By selecting the &all option, the
model is instructed to calculate all distillation types for the feed. Aspen Plus
CatCracker uses the API correlations to calculate the distillation types.
However, since the API equations are highly non-linear, selecting the &all
option may make the model difficult to solve. Therefore, it is recommended
that you never select the &all option when first entering data. Once the model
has been solved, you may change the distillation option to include &all since
this option should be more robust at that point. The distillation combo-boxes
include one last option, VABP D1160. The VABP option should only be
5 Advanced Topics
95
selected for generating LP vectors. After the option is selected, run a Simulate
case, followed by an LP vector run. Once the LP vectors have been run, set
the distillation option back to what was selected previously and run another
simulate case. The reason for running the simulate cases are because the
specifications are not passed from the GUI to the engine until the model has
been run.
Selecting the desired distillation option for Feed 1.
After the desired options have been selected, you should enter all of the
necessary bulk properties in the appropriate cells. You should first click the
Update Spec Color button on the Aspen Plus CatCracker toolbar so that the
appropriate input cells are shaded blue. See Updating Spec Colors. You should
enter data into any cell that is shaded blue for each feed that has a flowrate.
The Aspen Plus CatCracker

Engine
The Aspen Plus CatCracker engine is Aspen Plus. You do not need to be an
Aspen Plus expert to use Aspen Plus CatCracker. This section covers the most
important concepts in using the engine.
The first time the engine is used during an Aspen Plus CatCracker session is
when the user interface connects to the server. This brings up a Command
Line window in which you will see the invoke plant.ebs command, which
sets the correct units of measure and connects to the desired delumper
model. The Command Line window disappears when the kernel finishes
building the model.
The engine is also used whenever you request a solution from the user
interface. Any changes you have made to data values or model specifications
(via combo boxes) are passed through DCOM from the client to the server.
The command prompt window appears and you will see a stream of kernel
commands going to the engine. These commands tell the engine what mode
of solution is required and what solver settings should be used. There are
different sequences of commands for different types of solutions (parameter,
simulation, optimization, case study, LP vector generation, etc.). You can look
at the default command sequences on the EB Script sheet on the user
interface. The default command sequences are all you need for running the
model in any of the pre-configured solution modes, but advanced users can
modify them.
96
5 Advanced Topics
During a solve, you will see three buttons on the bottom of the Command
Line window:
Abort
Finish
No Creep
You can use these buttons to interrupt the solver. The Abort button causes
the solver to quit at the next opportunity. See The Command Line Window for
more information about the purpose of these buttons and when to use them.
The engine is also used whenever case data is stored or retrieved. The user
interface typically contains only the results of the most recent run of each
solution type. The Save Case Data command let you save the results of any
number of previous runs to review or use later. This user interface option is
implemented using the kernel commands read varfile from and write
varfile to. You can see these commands in the Command Line window while
it is active. You can open the Command Line window using the menu
command AspenPlusCatCracker | Tools | Display Command Line to
review the previous commands.
5 Advanced Topics
97
6 EO Modeling Background
and Examples
Equation-Oriented Modeling
Aspen Plus CatCracker is based on an equation-oriented (EO) formulation, so
you need to understand some EO concepts in order to use it effectively. The
EO approach is also known as open-form modeling and can be contrasted
with the closed-form or sequential-modular (SM) technique. The equations in
an EO model are solved simultaneously using an external solver, which
iteratively manipulates the values of the model variables until all the
equations are satisfied within a convergence tolerance. The solver will work
for any well-posed set of variable specifications. A variables specification
labels it as known (fixed) or unknown (calculated) for each solution mode.
In contrast, an SM model is solved procedurally, one equation at a time, and
the solution procedure depends on a given specification set. For different
groupings of known and unknown variables, the solution procedure will be
different, since the equations will be solved in a different order.
Pressure Drop Model Example

A simple example illustrates some important EO concepts. Consider this twoequation model where the pressure drop is correlated with the square of the
mass flow of a fluid:
Pressure drop correlation: DELTAP = PRES_PARAM * MASS_FLOW^2
Define pressure drop:
DELTAP = PRES_IN PRES_OUT
In an EO formulation, we rearrange these equations into residual format. The

value of the residual indicates how close that equation is to being solved. At
the solution, the value of every residual will be zero, or at least close enough
to zero to satisfy our numerical convergence tolerance.
f(1) = DELTAP - PRES_PARAM * MASS_FLOW^2
(= 0 at solution)
f(2) = PRES_IN - PRES_OUT - DELTAP
(= 0 at solution)
Note that f is the name of the vector of residuals and it has length equal to
the number of equations. The solver prefers to work with vectors and
equation index numbers, while we find it easier to use equation names. The
98
6 EO Modeling Background and Examples
model defines names for each residual that can be used in reports and solver
debugging output. In this case, we choose the names:
f(1) = ESTIMATE_DELTAP
f(2) = DELTAP_DEFINITION
Similarly, the five variables in this model can also be addressed as elements
of a vector x having length 5:
x(1) = DELTAP
x(2) = PRES_IN
x(3) = PRES_OUT
x(4) = PRES_PARAM
x(5) = MASS_FLOW
Model Specifications and Degrees-ofFreedom

Once we tell the solver which variables are known (fixed) for a given solution
mode, it will manipulate the values of the unknown (free) variables to drive
the residuals to zero. For any system of independent equations, the degreesof-freedom (DOF) is equal to the number of variables minus the number of
equations minus the number of fixed variables:
DOF = #variables - #equations - #fixed variables

The number of degrees-of-freedom of a system classifies it into one of three
categories:
Under-specified
DOF > 0
Square
DOF = 0
Over-specified
DOF < 0
The optimization mode of Aspen Plus CatCracker is under-specified, while the

other modes (simulation, parameter, case study, LP vector) are square. Overspecified problems are not allowed in Aspen Plus CatCracker.
The pressure drop example has 5 variables and 2 equations, so we must fix 3
variables to create a square system. Furthermore, we cannot fix any arbitrary
set of 3 variables. If all variables within one equation are explicitly or
implicitly fixed, the problem is not well posed, as the solver can no longer
manipulate any variable to reduce that equations residual. Such an incorrect
set of specifications will cause a structural singularity in the solver. However,
Aspen Plus CatCracker is designed so that if you use the standard
specification options provided in the user interface you will not create a
structurally singular system.
Here are some specification attempts for the pressure drop example:
Fix DELTAP, PRES_OUT:
Under-specified; only acceptable for an optimization

case with proper selection of independent variables.
Fix DELTAP, PRES_OUT,

PRES_IN, MASS_FLOW:
Over-specified!
99
Fix DELTAP, PRES_OUT,

PRES_IN:
f(1) = DELTAP PRES_PARAM * MASS_FLOW^2

(fix)
(free)
(free)
f(2) = PRES_IN PRES_OUT DELTAP

(fix)
(fix)
(fix)
Square, but not well posed (structurally singular). All

variables in residual 2 are fixed! If you compare this
to the over-specified example, you can see that overspecification is not allowed since it always leads to a
structurally singular system.
Fix PRES_IN,
PRES_PARAM,
MASS_FLOW:
f(1) = DELTAP PRES_PARAM * MASS_FLOW^2

(free)
(fix)
(fix)
f(2) = PRES_IN PRES_OUT DELTAP

(fix)
(free)
(free)
Square and well posed. A valid specification set. Note

that there are other valid specification sets, such as
PRES_IN, PRES_OUT, and MASS_FLOW.
Modes and Multi-Mode Specifications

In different situations, we may want to use different sets of fixed and free
variable specifications. Each set of variable specifications is a solution mode.
One of the strengths of the EO approach is that the same model formulation
and solver are used for all the modes. Although there are many possible
modes, Aspen Plus CatCracker is configured for three basic modes. The
Simulation, Param and Optimize sheets in Aspen Plus CatCracker
correspond to those three modes. Case study and LP vector generation are
also simulation modes. Case study is simply a series of simulations with the
same specifications, but different values for key fixed variables. LP vector
generation is a simulation run followed by a sensitivity analysis. The
independent and dependent variables you choose for vector generation must
correspond to fixed and free variables in the simulation mode. The Aspen Plus
CatCracker user interface examines the current model specifications and lets
you choose only proper independent and dependent variables.
In order to label how each variable behaves in the various modes, multi-mode
specifications are assigned. A variable that is fixed in every mode is called a
CONST, while variables that are free in every mode are called CALC. For
example, in Aspen Plus CatCracker the reactor vessel diameter is usually a
CONST because its value is not calculated in any mode, while the weight
percent hydrogen on coke is usually a CALC because the model calculates its
value from other information.
Measurements and Parameters

While many variables have CONST or CALC specifications, there are other
variables whose behavior changes between modes. A MEAS variable is fixed
in the parameter-fitting (tuning) mode, but free in the simulation and
100
optimization (prediction) modes. Conversely, a PARAM variable is free in the

parameter-fitting mode and fixed in the simulation and optimization modes.
Usually a MEAS corresponds to a plant measurement, while a PARAM is a
model tuning parameter or a bias to a measurement. Since the MEAS and
PARAM variables always have opposite specifications in every mode, there
are always the same numbers of MEAS and PARAM variables so that every
mode is properly specified. Another rule of thumb is that it is possible to swap
the specifications on a pair of related CALC and CONST variables to be MEAS
and PARAM, since the number of DOF stays the same in every mode.
The concepts of simulation and parameter-fitting mode and
CONST/CALC/MEAS/PARAM variables can be illustrated with the pressure
drop example.
Assume the equipment across which the pressure drop is measured has an
inlet pressure gauge, a DP cell, and a mass flowmeter. We can specify the DP
measurement (variable DELTAP) to be type MEAS and the pressure drop
parameter (PRES_PARAM) to be type PARAM. We can define inlet pressure
(PRES_IN) and mass flowrate (MASS_FLOW) as CONST variables. The outlet
pressure (PRES_OUT) is always calculated from the other variables, so it is
type CALC.
f(1) = DELTAP - PRES_PARAM * MASS_FLOW^2

(MEAS)
(PARAM)
(CONST)
f(2) = PRES_IN - PRES_OUT DELTAP

(CONST)
(CALC)
(MEAS)
This is a valid multi-mode specification, because in the simulation mode

MASS_FLOW, PRES_IN and PRES_PARAM are fixed and PRES_OUT and
DELTAP can be calculated from those values. In the parameter-fitting mode,
DELTAP, MASS_FLOW and PRES_IN are fixed, and PRES_PARAM and
PRES_OUT can be computed.
Changing Specifications with Combo Boxes

What if the plant we are modeling has both a DP cell and an outlet pressure
gauge? We have a choice as to which to use. From a mathematical
standpoint, it is just as valid to declare PRES_OUT a MEAS and DELTAP a
CALC as the other way around. Thus we have two possible variable
specifications affecting both our simulation and parameter-fitting modes.
In Aspen Plus CatCracker this type of spec swap is made using a combo box.
A combo box on the spreadsheet presents alternate specification sets that are
equally mathematically valid. One of the sets may be more appropriate for a
given unit based on its configuration, control strategy, instrumentation, type
of lab test, mass or volume basis for flowmeters, or a variety of other
reasons. In our pressure drop example, on the Param sheet we might see a
combo box with the following options:
Use outlet pressure measurement
Use pressure drop measurement
These choices correspond to the following specifications:
101
Use outlet pressure

measurement
Use pressure drop

measurement
DELTAP spec
CALC
MEAS
PRES_OUT spec
MEAS
CALC
Aspen Plus CatCracker comes preconfigured with many combo boxes which
cover all the options needed to model most CatCracker units. However, there
may be some unusual configurations that require an additional option for a
combo box or some additional combo boxes. Aspen Plus CatCracker has the
capability to modify, extend, or add combo boxes by making changes to the
Combo Table sheet.
For each combo box, the Combo Table sheet has an entry similar to our
example above. Each option on the combo box is a column and each variable
that is affected by that combo box is a row.
Once the tables are modified, macros can be run to update the combo boxes.
If this is necessary for your model, ask your Aspen Plus CatCracker support
contact for detailed instructions. However, even if you dont need to modify a
table, it can be helpful to look at the tables for a better understanding of what
some of the options mean in terms of model specifications.
Optimization
Optimization is a prediction mode, so it is similar to Simulation. The main
difference is that there are positive DOFs (Degrees of Freedom) in
optimization mode, and the solver uses those DOFs to maximize or minimize
an objective function within limits on certain variables.
To create optimization DOFs, change the specifications of some CONST
variables to OPTIM. OPTIM variables are fixed in simulation and parameterfitting modes and free in optimization mode and are also known as
independents. The other free variables (MEAS and CALC) are known as
dependents.
The solver requires that the number of OPTIM variables be equal to the
number of DOF, but that requirement is easy to satisfy by starting with a
well-posed square set of multi-mode specifications and changing only CONST
variables to OPTIM.
To set up an optimization, you must do three things:
Define an objective function.
Specify the DOFs (independents).
Specify bounds (limits) on the values of key independent and dependent

variables.
The objective function is often a profit function, with revenue terms based on
product or export utility flowrates and prices, and cost terms based on feed or
import utility flowrates and prices. For more information on objective
functions, see Setting up Optimizations.
You specify the DOF by selecting independent (OPTIM) variables from a pick
list. Aspen Plus CatCracker presents only CONST variables in this pick list in
102
order to ensure that whatever set you choose will lead to a well-posed
problem. You can put bounds on any of the independents, plus whichever
dependents you select from another pick list that includes CALC and MEAS
variables that you may wish to limit during the optimization run.
DMO Solver Background

When you click the solve button, Aspen Plus CatCracker submits the
mathematical formulation of the problem to the DMO solver via the kernel.
If the solution is successful, the kernel Command Line window will close, the
results of the solution will be returned to the Excel GUI, and the status
indicators will change to Ready and Converged.
If the solver fails, the status indicators will show Ready and Not Converged.
In this case, you must perform some troubleshooting to determine the cause
of the failure. This section discusses the basics of the solver technology and
error messages issued by the solver when certain types of errors occur.
Successive Quadratic Programming (SQP)

The DMO solver is a specific implementation of the general class of nonlinear
optimization algorithms known as Successive Quadratic Programming (SQP),
which perform the optimization by solving a sequence of quadratic
programming subproblems. The general optimization problem that DMO
solves can be expressed as follows:
Minimize f(x)
Subject to c(x) = 0
xmin x xmax
Where:
Expression
Represents
x Rn
Vector of unknown variables
f(x) R1
Objective function
c(x) R
Vector of constraint equations
xmin R
Vector of lower bounds on x
xmax Rn
Vector of upper bounds on x
A simplified description of the DMO algorithm is outlined as follows:

1
Given an initial estimate of the solution vector, x0.
Set iteration counter, k = 0.
Evaluate derivative of the objective function, gradient, and the derivative

of the constraints, Jacobian.
Initialize or update an approximation of the second derivative matrix, or

Hessian, of the Lagrange function. The Lagrange function, f(x) + ici,
accounts for constraints through weighting factors i, often called
Lagrange multipliers or shadow prices.
103
Solve a quadratic programming subproblem to determine a search

direction, dk. In the quadratic programming subproblem, the objective
function is replaced by a quadratic approximation, constraints are
linearized, and bounds are included.
Check for convergence or failure. If the optimization convergence criteria

are satisfied, or if the maximum number of allowed iterations, MAXITER, is
reached, then end. Convergence is achieved when:
Objective function gradient OBJCVG
Scaled or unscaled constraint residuals RESCVG
Perform a one-dimensional search to determine a search step k so that

xk+kdk is a better approximation of the solution as measured by a line
search or merit function. The reduction of merit function requirement is
sometimes relaxed to achieve a full correction step.
10 Update iteration counter, k = k + 1, and loop back to step 3.
Changing DMO Parameters

Parameters for the solver can be changed with script commands. Enter
commands at the kernel command prompt or on the EB scripts sheet in the
Excel GUI.
The script language for a parameter change is:
SOLVER SETTINGS parameter = value

The parameters are discussed in the following section. As an example, the
following commands:
SOLVER SETTINGS MAXITER = 10

SOLVER SETTINGS RESCVG = 1.0D-5
change the maximum number of iterations to 10 and the residual
convergence tolerance to 1.0D5. This input would apply for all modes.
Basic DMO Parameters

Here are the DMO parameters most commonly used with Aspen Plus
CatCracker:
104
Variable
Description
Default
MAXITER
Maximum number of SQP iterations allowed
50
MINITER
Minimum number of SQP iterations allowed
CREEPFLAG
Creep control flag. This mode makes the

optimizer moves more conservative. It is
very helpful when the problem diverges.
No (0)
CREEPITER
Number of creep iterations
10
CREEPSIZE
Creep mode step size. This is the fraction of

the full step to be taken when in creep
mode
0.1
RESCVG
1.0D-6
OBJCVG
Objective function convergence tolerance
1.0D-6
DMO Command Window Output

and Log Files
During each solution, the following iteration log is sent to the command
window:
Residual
Objective
Convergence Convergence
Iteration
Function
Function
Objective
Overall
Function
Nonlinearity
Worst
Nonlinearity
Model
Value
Ratio
Model
Ratio
--------- ----------- ----------- ---------- ------------ -------- -----------0
1.005D-03
0.000D+00
0.000D+00
9.349D-01 RXRG
9.349D-01
6.275D-07
0.000D+00
0.000D+00
9.975D-01 RXRG
9.975D-01
2.711D-09
0.000D+00
0.000D+00
1.000D+00 RXRG
0.000D+00
0.000D+00
0.000D+00
1.000D+00
Successful solution.
Optimization Timing Statistics
Time
Percent
================================
========
MODEL computations
7.69 secs
33.82 %
12.84 secs
56.46 %
2.21 secs
9.72 %
DMO computations
Miscellaneous
=======
--------------------------------
---------
-------
Total Optimization Time
22.74 secs
100.00 %
Updating Plex
Problem converged
Iteration is the count of SQP iterations (QP subproblems) performed by

the solver. There is one line of output for each normal iteration of the
solver. Abnormal iterations may have additional lines for error or
information messages.
Residual Convergence Function indicates the solvers progress towards

solution, in terms of feasibility of the residuals. The problem does not
converge until this measure gets below the value of solver setting
rescvg defined in the EB script for that solution mode.
Objective Convergence Function is a measure of the solvers progress

towards solution in terms of optimality of the objective function. This is
only meaningful in modes with degrees-of-freedom, which is only the
optimization mode in Aspen Plus CatCracker. The problem does not
converge until this measure gets below the value of solver setting
objcvg defined in the EB script for that solution mode.
105
Objective Function Value refers to the Jacobian of the objective

function.
Nonlinearity Ratio is a measure of the nonlinearity of the problem. The

closer the value is to one, the more linear the problem. A negative value
indicates that the problem behaved in the opposite way to what was
expected. Near the solution, as the step sizes become small, this value
becomes close to one. There are two nonlinearity ratios Overall and
Model.
The last section of the output shows the execution times for the various parts
of the problem.
In this example, we can see that convergence was achieved when the residual
and objective convergence functions were less than their respective
tolerances at iteration 3.
From this output, we also see that there have been no line searches. Thus,
the step size for each iteration is one. When a line search is performed for an
iteration, a message will appear:
<Line Search ACTIVE> ==> Step taken 3.26D01
If the solver has to line search continually and the step size gets very small
(less than 1.0D-2), most likely the solution is trying to move very far from the
starting point, or some of the specified values are nearly infeasible.
DMO Solver Log Files

Aspen Plus CatCracker outputs DMO solver information to two log files
ATSLV
ATACT
These files reside in the working directory you defined in the startup menu
box.
The ATACT file is similar to the ATSLV file, but lists all the problem variables
and independent variables, whereas the ATSLV file does not. The ATSLV file
is typically more useful and is described in more detail below.
ATSLV File Problem Information

At the top of the ATSLV file, a summary of the problem is printed. This
shows the size of the problem and the values of some important parameters.
Model or plant name
Solution case
SIMULATE
Number of variables
127927
Number of equality constraints
111876
Number of fixed variables
16051
Actual degrees of freedom
Number of lower bounded variables
106
RXRG
127927
Number of upper bounded variables
127927
Total number of constraints
367730
Maximum number of iterations
50
Printing frequency
-1
Objective function tolerance
1.0D-06
1.0D-06
Derivative perturbation size
1.0D-06
Solution mode
NORMAL
Maximum number of models
3000
Maximum number of soft bounds
1500
Time of run
21:41:58
Date of run
25-NOV-2001
Basic Iteration Information

At each iteration, the following header is printed, showing the iteration
number and the value of the objective function:
+----------------+
| Iteration
0 |
+----------------+
Objective Function
=>
0.0000E+00
Largest Unscaled Residuals

This section shows the largest unscaled residuals. A similar section shows the
largest scaled residuals. This section is particularly helpful when the solver
has trouble closing all the residuals because it will list the largest ones.
Shadow
Index
Most Violated UNSCALED Residuals
====== =======================================
Residual
============
Price
=============
73676 RXRG.BLKEQN_YLDES_TBP_FOE_VALUE_BIAS_CAL
1.81662D+01
-2.37348D-19
108234 RXRG.BLKEQN_CXN_EQN___33328_X(119459)_=>
-1.42249D+01
-2.29209D-19
47799 RXRG.BLKEQN_CUT3VF_VAPOR_SPL_FAC_10
1.00000D+00
-8.08521D-16
1.00000D+00
-1.64365D-18
1.00000D+00
-4.64051D-17
1.00000D+00
-2.75911D-15
1.00000D+00
-1.38725D-15
1.00000D+00
-3.41395D-17
1.00000D+00
-3.80201D-17
107
1.00000D+00
-3.80206D-17
Constrained Variable
This section shows the variables that lie on their bounds. This is only
meaningful in a degree-of-freedom mode (optimization for Aspen Plus
CatCracker).
The output shows the variable number, which bound is active, the variable
name, the current value, and the shadow price. The shadow price is also
known as the Lagrange multiplier. This is the derivative of the objective
function with respect to the value of the constraint and represents the cost for
the constraint.
Projected Active Constraints
Index
Shadow
for the Next Iteration
====== =======================================
949 Upper Bnd C2SDDEF.SPC.MOLEFR.C2H6
Bound
Price
============
=============
2.00000D-04
-4.32924D+02
The shadow price is based on the value of the objective function that is seen
by DMO. That means the shadow price is in SI units (such as $/sec) and is
affected by any scaling. This is true even if you declare the units to be
something other than SI (such as $/hr).
Consider this example. We have a tower with a composition constraint,
expressed as a mole fraction of a component. The following table shows the
results of two optimization runs at two different values of the composition
constraint:
Constraint Value
Objective Function
Shadow Price
0.0002
2.853
432.924
0.0003
2.893
258.664
The large change in the shadow price indicates that the effect of the
composition on the objective function is very nonlinear. We can manually
estimate the average shadow price in this region by a finite difference
method:
Price = Obj/x = (2.893 2.853) / (0.0003 0.0002)
= 400.00 $/sec/mole fraction
This value lies between the two prices.
If the objective function had a scale factor of 100, we would get the following:
Constraint Value
Objective Function
Shadow Price
0.0002
285.4
43290.7
0.0003
289.3
25860.2
We would have to remember to unscale the shadow price by dividing by 100.
General Iteration Information

This section appears after the residual output:
Iteration status
108
=>
Normal
Degrees of freedom
=>
Constrained variables
=>
Current degrees of freedom
=>
Number of function evaluations
=>
Number of Jacobian evaluations
=>
Objective function convergence function =>
0.00000D+00
Residual
1.00550D-03
function convergence function =>
LU decomposition time (seconds)
=>
7.38D+00
Search direction time (seconds)
=>
8.28D+00
The Iteration status shows the exit condition of that iteration.

Iteration status
Indicates
Normal
A normal successful iteration
Warning
A successful iteration despite some solver difficulties
Error
A failure
Solved
The final iteration of a successfully solved problem
The Degrees of freedom is the number of declared independent variables in

the problem. The Constrained variables are the degrees of freedom at
bounds in the QP subproblem. The Current degrees of freedom are the
degrees of freedom less the constrained variables. This is the true number of
degrees of freedom for the problem. A highly constrained solution is one that
has very few current degrees of freedom.
The Number of function evaluations and Number of Jacobian
evaluations are accumulative counts and generally match the number of
iterations.
The Objective function convergence function is the norm of the Jacobian
for the objective function. At the solution, this value should be near zero.
The Residual function convergence function is the sum of the scaled
residuals. At the solution, this value should be near zero.
Nonlinearity Ratio
This section shows the nonlinearity ratio of the worst block, the objective
function, and the worst equations. The criterion is the accuracy of the
predicted change in the equation. If the function is linear, then the new value
would match the predicted value and the nonlinearity ratio would be one. A
value of the ratio other than one indicates some degree of nonlinearity. A
negative value indicates that the function value moved in the opposite of the
expected direction. Large negative values could indicate a discontinuity or bad
derivative.
This section also shows the step size for the iteration.
Model nonlinearity ratios =>
----------------------------
RXRG
0.93489
109
Model nonlinearity ratios of
1 model(s) between
Objective function nonlinearity ratio
Non-Linearity Report for Iteration
Index
=>
Worst Equation Non-Linearity Ratios
1.01
1.0000
1 : Step Fraction =
===== ========================================
110
0.99 and
1.00000D+00
Ratio
Deviation
============
============
45441 RXRG.BLKEQN_CUT1ANLZ_ABP625A______WTPCT
-1.47131D+01
1.57131D+01
47648 RXRG.BLKEQN_CUT3ANLZ_ABP725A2_____WTPCT
1.32713D+01
1.22713D+01
1.32712D+01
1.22712D+01
57609 RXRG.BLKEQN_NAPHSNL_MOLES_ABP325A
-7.53478D+00
8.53478D+00
-7.29881D+00
8.29881D+00
7 Troubleshooting
Aspen Plus CatCracker Stops

Responding
Occasionally, problems can occur where the AspenPlusCatCracker menu
commands and toolbar are still active, but the functions fail with various VB
errors. This can be the result of loading too many applications at once,
thereby causing an application conflict. The spreadsheet has lost the
connection to the model, but the model is still in the memory of the
computer. If this happens, the connection to Aspen Plus CatCracker flowsheet
can be reset and then a new connection established. A new connection should
not be made until the reset command has been issued.
Resetting Connection to the

Aspen Plus Server
To reset the connection to the Aspen Plus CatCracker
flowsheet:
7 Troubleshooting
Click AspenPlusCatCracker | Startup Aspen Plus CatCracker | Reset

ApMain as shown below.
111
To establish a new connection to the Aspen Plus

CatCracker flowsheet:
Click AspenPlusCatCracker | Startup Aspen Plus CatCracker | Load

CatCracker Flowsheet.
Error Recovery for

Parameterization
You should check the convergence status shown at the top of the Param
sheet after running the parameter case. The results on the Param and
Analysis sheets are only meaningful if the convergence status is converged.
If the status is not converged, then you should return the Param sheet and
model to their pre-solution states.
To return Param sheets and models to their pre-solution

states:
1
Click AspenPlusCatCracker | File | Load Case Data to restore the

model to a converged parameter case.
If this is your first attempt at running a ParamError! Bookmark not

defined. case, then load user_default.var or the . var file created by
AspenTech for your site.
-orIf you have converged Parameter cases for your unit, then load the
corresponding . var file that most closely represents the process
conditions and input data for the new parameter case.
Click AspenPlusCatCracker | File | Load User Input Sheet to restore the

Param sheet user input.
Examine the input data as compared with the base parameter case.
Convergence failure for the Parameter case typically has one of three basic
causes:
112
Poor or erroneous data were entered as input (blue-colored cells). For

example:
Check that physically realistic property data were entered for all feeds and
products. For example, all distillation points must increase as a function of
percent distilled.
Check that physically realistic property data were entered for all catalysts.
For example, the ECAT activity must always be lower than fresh activity.
Check that physically realistic mechanical data were entered. For example,
the regenerator cyclone height must be greater than the bed height.
Some of the input data violate valid ranges. Such restrictions are a
consequence of the equation-based manner in which the model has been
formulated. Observe the following guidelines when entering data:
Do not set any recycle rate to zero. For zero recycle rates, use a very
small number instead (for example, 0.1 BBL/D).
7 Troubleshooting
Fraction to riser bottom: The midriser feed rate must be nonzero. If the
midriser feed rate is in fact zero, set the fraction to riser bottom for
feed 1 equal to 0.999999.
Data restrictions for light-ends analyses:

Compositions for any one stream must not sum to zero, including
streams having a zero flow rate.
For the light and heavy naphtha streams, all C5+ components must be
nonzero, again including any stream having a zero flowrate.
For any one component, the sum of its composition across all streams
must not be zero.
Do not enter zero for any flue gas component.
The solver parameters are too aggressive for the data entered. For
example, a large change in feed rate (greater than 15%) may require
more conservative solver parameters. For more information about solver
parameters and strategy, see Changing DMO Parameters.
Error Recovery for Simulation

Check the convergence status shown at the top of the simulation sheet after
running the simulate case. The results on the simulation sheet are only
meaningful if the convergence status is converged. If the status is not
converged, then you should return the simulationTo return simulation sheets
to their pre-solution states:
1
Click AspenPlusCatCracker | File | Load Case Data to restore the

model to the base Parameter case.
Browse for the .var file in which you saved the results of the base
Parameter case.
Click AspenPlusCatCracker | File | Load User Input Sheet to restore

the Simulation sheet user input.
Examine the input data as compared with the base Parameter case.
Convergence failure for the simulation case typically has one of two basic
causes:
4
Poor or erroneous data were entered as input (blue-colored cells). For

example:
Check that reasonable feed property data were entered for all feeds.
Check that reasonable catalyst property data were entered for all
catalysts.
Check that the cut points entered for light naphtha and LCO are physically
possible.
The solver parameters are too aggressive for the data entered. For
example, a large change in feed rate (greater than 15%) may require
more conservative solver parameters. For more information about solver
parameters and strategy, see Changing DMO Parameters.
7 Troubleshooting
113
Solver Performance
This section describes some troubleshooting tips to improve the performance
of the solver and to help diagnose common problems.
Dealing with Infeasible Solutions

These often occur during optimization cases where it is not possible to
simultaneously solve all the equations while respecting all the variable
bounds. This doesn't happen in simulation cases because DMO ignores bounds
in simulation cases. If you solve a simulation case that violates a bound, then
the optimization case will start at an infeasible point. A message like the
following will be printed in the ATSLV file:
Information => QP step for variable
1157: C2SDDEF.SPC.MOLEFR.C2H6
was adjusted to satisfy its UPPER bound =
2.0000000E-04
The size of QP step violation was
2.5673465E-04
This variable's value had to be adjusted to respect the bound. When the
optimization proceeds and there is no feasible solution for the equality
constraints, the screen output might look like this:
Residual
Objective
Convergence Convergence
Iteration
Function
Function
Objective
Overall
Model
Function
Nonlinearity
Worst
Nonlinearity
Value
Ratio
Model
Ratio
--------- ----------- ----------- ---------- ------------ ------- -----------Warning ...
QP slack variable =
2.29070D-01
Warning ...
QP slack variable =
2.29070D-01
9.312D-04
4.809D-03 -2.779D+00
Warning ...
QP slack variable =
1.80624D-01
Warning ...
QP slack variable =
1.80624D-01
5.244D-04
4.667D-02 -2.792D+00
Warning ...
QP slack variable =
1.44771D-01
Warning ...
QP slack variable =
1.44771D-01
2
Warning ...
Warning ...
3
1.552D-02
5.479D-02 -2.922D+00
QP slack variable =
6.09502D-01
QP slack variable =
6.09502D-01
3.853D-02
2.379D-03 -3.083D+00
Warning ...
QP slack variable =
1.87163D-01
Warning ...
QP slack variable =
1.87163D-01
1.496D-02
1.040D-02 -3.075D+00
Warning ...
QP slack variable =
3.18508D-01
Warning ...
QP slack variable =
3.18508D-01
9.968D-01 C2S
-2.834D-01
2.900D-01 C2S
-1.846D+02
-7.475D-01 C2S
-1.540D+01
9.908D-01 C2S
9.914D-01
8.346D-01 C2S
6.012D-01
+---------------------- ERROR ----------------------+
114
7 Troubleshooting
Error return from [DMO] system subroutine DMOQPS

because the problem has NO FEASIBLE SOLUTION.
Action : Check the bounds that are set on variables

to insure consistency. Check the .ACT file
for information on initial
infeasibilities.
+---------------------------------------------------+
Error return, [DMO] System Status Information =
Optimization Timing Statistics
Time
Percent
================================
========
MODEL computations
1.32 secs
31.10 %
DMO computations
0.91 secs
21.28 %
Miscellaneous
2.03 secs
47.61 %
-------------------------------Total Optimization Time
--------4.26 secs
=======
------100.00 %
Updating Plex
Problem failed to converge
Note the messages from the QP indicating an invalid value for a slack
variable.
To solve this problem, you need to be aware of the initial message indicating
that the initial value of a variable violated its bound. In this case,
C2S.SPC.REFL_RATIO_MASS is causing the problems. Unfortunately, the
ATSLV file does not list this variable as constrained, since it could never solve
the QP successfully.
Scaling
Generally, it is not necessary to scale your equations or variables beyond
what is done by default in the models. However, it may be more efficient to
scale your objective function. A good rule of thumb is to scale the objective
function so that its value is on the order of 10 to 1000. The scaling of the
objective function plays an important role since it affects the overall
convergence behavior. This is particularly important in cases where there is a
large change between the original value of the objective and the expected
optimum.
Dealing with Singularities

Singularities often occur when the model is moved into a region where the
equations are not well defined. The most common example of this is when a
7 Troubleshooting
115
stream flow becomes too small. If singularities exist, they are usually
detected at the start of the problem. In this case, some information is written
to the ATSLV file and this can help locate the cause of the problem. In
general, you should prevent stream flows from going near zero by placing
nonzero lower bounds on the flow (for example, 10 kg/hr). This is especially
important on streams from flow splitters or feed streams whose total flow is
being manipulated. In the case of a singularity the following message will be
displayed:
+-------------------- WARNING ----------------------+

A NUMERICALLY SINGULAR matrix is detected during
the ANALYSIS phase of LU decomposition.
The number of dependent equation set(s) detected =
Check the output file for more information.

+---------------------------------------------------+
The ATSLV file contains information on the possible cause of the singularity in
the following manner:
+-------------------- WARNING ----------------------+
A NUMERICALLY SINGULAR matrix is detected during

ANALYZE phase of LU decomposition.
WARNING: The dependent equation set is NOT unique.

It depends on the options for performing
LU decomposition.
==> Dependent equation set:
The partial derivatives of the following

equations with respect to variable
1: Strm 1 moles lbmol/h
in the reduced matrix are zero.
Equation ->
10: Enthalpy balance M Btu/lbmol
is a function of the following variables:
116
0.00000D+00 ->
Calc
4: Strm 1 enth M Btu/lbmol
= -7.45977D+01 -> Const
0.00000D+00 -> Const
15: Strm 2 enth M Btu/lbmol
= -7.45977D+01 -> Const
7 Troubleshooting
23: Heat loss MM Btu/h
0.00000D+00 -> Const
25: Prod moles lbmol/h
8.93760D-07 ->
Calc
28: Prod enth M Btu/lbmol
= -7.45977D+01 ->
Calc
Equation ->
9: Prod C9H20_1
mf
is a function of the following variables:

10: Strm 1 C9H20_1
mf

21: Strm 2 C9H20_1
mf
25: Prod moles lbmol/h

34: Prod C9H20_1
mf
0.00000D+00 ->
Calc
4.52017D-01 -> Const
0.00000D+00 -> Const
4.52017D-01 -> Const
8.93760D-07 ->
Calc
4.52017D-01 ->
Calc
Sometimes, singularities are simply caused by the optimization being too

aggressive. This moves the models into a region where the equations are not
well defined. To make the optimization more robust, DMO has a creep mode.
This mode simply causes smaller steps to be taken for a specified number of
iterations. To use this mode, you can enter the following script command:
SOLVER SETTINGS CREEPFLAG = 1

This turns on the creep mode. When active, the following message is
displayed at each iteration:
<Line Search Creep Mode ACTIVE> ==> Step taken 1.00D-01
By default, this will operate for 10 iterations with a step size of 0.1. You can
change these values with the commands:
SOLVER SETTINGS CREEPITER = 20
SOLVER SETTINGS CREEPSIZE = 0.5
In this example, we change the number of creep iterations to 20 and the step
size to 0.5.
Notes on Variable Bounding

Remember that by default DMO does not respect bounds during the solution
of a Simulation or Parameter case. You, however, have the capability to
impose bounds in a square case by using a different line search parameter.
The use of this mode is recommended only in cases where
There are truly multiple solutions to a model (for example, the cubic
equation).
You want to use a bound to eliminate an unwanted solution.
To use this mode, you can enter the following script command:
SOLVER SETTINGS LINESEARCH = 4
In general, it is not recommended to heavily bind an optimization problem for
reasons that are both practical and algorithmic. Bounds on independent
variables are recommended in order to avoid unbounded problems. All other
7 Troubleshooting
117
bounds should be used only if they are absolutely necessary. Finally,

redundant bounds should be avoided.
Run Time Intervention

During long runs, it is possible to change the behavior of the DMO solver. This
is done by clicking one of the three buttons at the bottom of the command
window. The selection will take effect at the start of the next DMO iteration.
For more information on these buttons, see Command Line Window.
The Model Is Not Solving

If the new data are very different from the starting point, it may be difficult
for the model to solve. If the residuals are very large and the non-linearity is
very poor, it is possible that the model will be unable to solve. Rather than
waiting for a large number of iterations, you can terminate the solution by
clicking the Abort button on the Command Line window. This will stop the
model from solving, but not reset the memory to the starting point before a
solution was attempted. It is possible that a saved solution will need to be
loaded into memory so that the model will be able to reach a solution. For this
reason, it is very important to save parameter case results using the Save
Case Data command, so that you can load in a valid starting point without
needing to use the Reset ApMain option previously discussed.
After re-loading good data from a saved file, try running the failed case again
with an increased number of creep iterations. Review the section Saving and
Loading Case Data.
Licensing Errors
The following error message may appear if the Aspen Plus license verification
fails.
Message
Error in ConnectServer(), module Com2Dcom.

Error message:Unable to load simulation
engine. License check out error.
Cause
The Aspen Plus license was not found when attempting

to connect to the Aspen Plus CatCracker flowsheet.
Solution
Check to make sure that the license server or the

license file has been selected properly. See the
Licensing section of the Aspen Engineering Suite
Installation Manual for more information.
Ensure that the licenses for Aspen Plus, Aspen Plus EO
Optimizer, and the Aspen RXfinery application have
been entered into the license server or are located in
the license file.
The following error message may appear if the Aspen Plus CatCracker license
verification fails.
Message
118
****EXECUTION ERROR WHILE EVALUATING

RESIDUALS FOR UNIT OPERATIONS BLOCK:
7 Troubleshooting
"RXRG" (MODEL: "USER3")

LICENSE VALIDATION/CHECKOUT
FAILURE FOR ASPEN PLUS CATCRACKER
Cause
The Aspen Plus CatCracker license could not be found in

the license server or license file selected.
Ensure that the license key for Aspen Plus CatCracker
has been entered into the license server or is located in
the license file. See the Licensing section of the Aspen
Engineering Suite Installation Manual for more
information.
7 Troubleshooting
119
8 The FCCU Model
Overview
The offline model for the CatCracker is a complete system for modeling an
CatCracker. It includes a feed system, a regenerator, a reactor, slide valves,
risers, standpipes, and cyclones. Furthermore, it contains an approximate
representation of a gas plant. This simplified gas plant (GSP) is suitable for
obtaining quantitative estimates of the gas-plant products fractionated from
the reactor effluent. The CatCracker model also includes a number of models
to account for coke formation and its transmittal through the mass flow
paths. Models for handling the distribution of feed sulfur and nitrogen among
the gas plant products are also provided.
Twenty-One-Lump Kinetics
Riser conversion kinetics are derived from the Mobil ten-lump mechanism.
Aspen Plus CatCracker has expanded the number of reactant/product lumps
to 21 and changed the functionality of several key lumps. The reactions
themselves are all based on well-understood first order kinetics that all occur
in the vapor phase. The kinetic expressions are integrated along the length of
the riser and are dependent on the catalyst bulk density, coke on catalyst,
MAT activity, basic nitrogen, and metals content. The MAT activity and basic
nitrogen are entered from external model sources and affect the riser kinetics
uniformly. The catalyst bulk density and coke on catalyst are also integrated
along the riser length and are themselves a function of pressure drop, coke
make, and molar expansion. The pressure drop includes elements of head,
friction, and acceleration.
All kinetics in the reactor are based on the 21-lump kinetic system. The
reaction pathways represent paraffinic cracking, naphthenic ring opening,
alkyl side chain cracking, ring condensation, kinetic coke make from typical
condensation reactions, and metals coke make due to dehydrogenation. The
reaction paths have been logically grouped to make yield parameterization
more convenient. Thus all the pathways which lead to gas make up one class,
the gasoline pathways make up another class, and so on. In this way, with
only a small number of yield measurements off the operation unit, the kinetic
rate parameters for the more than fifty reaction pathways can be easily tuned
to match the unit yields. To match the specific product compositions that are
120
8 The FCCU Model
observed on the unit (provided that information is available), additional

tuning of paraffinic and aromatic reaction rates must be performed.
This system divides the reactants and products into lumped aggregates of
material classified by chemical type and boiling point range. These lumps are
similar to pseudo-components but are based on molecular structure in
addition to the boiling range for typical pseudo-component breakdowns. The
molecular structures selected are based on likely reaction pathways and
mechanisms understood to exist in fluid catalytic cracking chemistry. The
table below summarizes the lumps used in the model. These lumps are
classified into paraffinic, naphthenic and aromatic chemicals and each of
these types is divided into four boiling point ranges as shown in the table.
Aromatics are further divided into substituent carbons and ring aromatic
carbons.
The components were also selected to represent convenient boiling ranges
that represent yields of light gases, gasoline, light cycle oil, heavy cycle oil,
and the main fractionator bottoms (which also include any remaining resid).
The light gas components represent all light gases from H2 to C5 The gasoline
component represents the component range from C5 to 430 F.
There are three lumps that are not identified with a particular chemical type:
C lump
Kcoke lump
Mcoke lump
The C lump is used to calculate the light gases for methane through the
pentanes. This is based on a correlation using the C lump produced in the
kinetic paths and the composition of the feed. Kcoke is kinetic coke, the coke
routinely produced through cyclization and condensation pathways. Mcoke is
metals coke, the coke produced as a by-product of dehydrogenation reactions
caused by the presence of active Ni equivalent on the catalyst.
Twenty-One Lump Model
No.
Lump
NBP Range
Description
< 430 F
Gasoline Lump C5
Pl
430 650 F
Light Paraffins
Nl
Light Naphthenes
Ar1l
Light 1-Ring Aromatics
Ar2l
Light 2-Ring Aromatics
Asl
Light Aromatic Ring Substituent Carbons
Ph
C lump produces light gases
650-950 F
Heavy Paraffins
Nh
Heavy Naphthenes
10
Ar1h
Heavy 1-Ring Aromatics
11
Ar2h
12
Ar3h
13
Ash
Heavy Aromatic Ring Substituent Carbons
14
Rp
15
Rn
Resid Naphthenes
16
Ra1
Resid 1-Ring Aromatics
8 The FCCU Model
> 950 F
Resid Paraffins
121
No.
Lump
NBP Range
17
Ra2
18
Ra3
19
Ras
Resid Aromatic Ring Substituent Carbons
20
Kcoke
21
Mcoke
N/A
Description
Kinetic Coke
Metals Coke
The aromatic carbon classification helps to account for those carbons that can
be cracked into the gasoline range material and those that do not crack as
easily. Ring carbons are those carbons that make up the aromatic structure
and, therefore, are less likely to crack into lighter material. Instead, they
participate in ring condensation reactions that eventually can lead to coke
formation on the catalyst. Substituent carbon atoms are the paraffinic
substituent atoms on the core aromatic structures. They include paraffinic
carbon chains of varying lengths and combinations that are distributed around
the core aromatic structures.
The table above illustrates how the chemicals going into the CatCracker
model are lumped. First, there is a division by boiling point. Then, there is a
division by chemical type:
Paraffinic
Naphthenic
Aromatic
The aromatics are further broken down into substituents and core, or ring
carbons. Therefore, a chemical such as n-butylbenzene has 6 core C atoms
and 4 substituent carbon atoms. Carbons in hydroaromatic structures, where
a saturated ring is fused to an aromatic ring, are counted as substituent
carbon atoms. Tetrahydronaphthalene is an example of a hydroaromatic
structure.
122
8 The FCCU Model
Schematic for the 21-Lump Reaction Paths
The lumped species participate in a heterogeneous reaction network of

temperature and catalyst dependent pathways. This network of kinetic
pathways is shown above
In this figure, each arrow proceeding from one species to another represents
a kinetic path. Since the reaction rates are represented by Arrhenius type
expressions, each path has associated with it a frequency factor and
activation energy. Within the kinetic system, the C lump component is divided
directly into ten individual light-gas components and coke. This 21-lump
model also carries along a separate coke lump that includes coke brought in
with the feed.
Direct resolution of the C lump into the light chemical species is accomplished
by a correlation adapted for the 21-lump model. For online optimization,
these correlation coefficients are treated as parameters and fit to any
measured data that exist for these species.
This data may be in the form of analyzers, inferentials, or laboratory GasLiquid-Chromatography (GLC) data for the light products. These products
generally include the dry gas, depropanizer overheads, and debutanizer
overheads. They are represented by the chemicals:
1
Hydrogen
Methane
Ethylene
Ethane
Propylene
Propane
8 The FCCU Model
123
Iso-butane
Butenes
n-Butane
10 Iso-pentane
11 Pentenes
12 n-Pentane
Light and Heavy Lump Types
After the amounts of these chemicals are determined from the correlation, the
riser effluent is split up into even finer compositional detail. This split of the
C4=, C5=, iC5, and the C6 to 430 F gasoline are split into the isomers listed
below. The amount of each isomer created is determined by fixed ratios or
split factors. The ratios are tuned to match a particular unit by adjusting split
factors for each isomer. The source component, split components, and split
factors are determined in a parameterization run.
Isomer Creation from Split Factors
124
Source Component
Split Out Components
C4=
Iso-butene
1-Butene
Cis-2-butene
Trans-2-butene
1,3-butadiene
iC5
Iso-pentane
Cyclo-pentane
C5=
3-methyl-1-butene
8 The FCCU Model
Source Component
Split Out Components

1-Pentene
2-Methyl-1-butene
Cis-2-pentene
Trans-2-pentene
2-Methyl-2-butene
Cyclo-pentene
Isoprene (2-methyl-1,3-butadiene)
C6-430 G Lump
Benzene
C6-430 G Lump (no benzene)
Sulfur Distribution
In the CatCracker model, feed sulfur is distributed into standard and
fractionated products based on reaction and fractionation models. The model
contains methods for distributing the sulfur by boiling point. These
distributions permit the prediction of sulfur in the various products created by
the GSP.
Sulfur entering the CatCracker unit is defined by the following for each fresh
feed:
Fresh feed rate
Fresh feed sulfur content as wt%
Feed sulfur crackability factor
The fresh feed rates and sulfur contents define the total rate of sulfur entering
the CatCracker. The individual fresh feed data is mass blended to produce
blended values for the sulfur content and crackability factor.
The sulfur crackability factor defines the propensity of the sulfur to crack to
H2S or remain as compounds in heavy liquid products. This factor ranges
from zero to one. Zero will maximize cracking to H2S. One will minimize
cracking to H2S and force the sulfur to appear in the heavier liquid products.
For example, virgin gas oil will have a value of zero since most of its sulfur
will crack to H2S. On the other hand, a hydrotreated gas oil will have a value
of one, since most of the easily-crackable sulfur has been removed by the
hydrotreater and the remaining refractory sulfur will pass through the
CatCracker and appear in cycle oil cuts. The intent is to provide a factor that
shows the difference between alkyl sulfides and thiophenes in the feed.
Sulfides tend to crack to H2S while thiophenes remain in high molecular
weight structures that concentrate in the cycle oils.
In reaction models, sulfur is distributed into the following standard products:
H2S
C5 to 430 naphtha
430 to 650 LCO
650+ bottoms
Coke (burned to SOX in the regen model)
8 The FCCU Model
125
Correlations distribute feed sulfur into these standard reactor products. The
sulfur contents of these products and the % distribution of feed sulfur into
these products are reported on the Simulation and Analysis worksheets.
The sulfur in the C5-430, 430-650 and 650+ reactor products is further
distributed into the following fractionated products by the simple fractionation
system in the model:
Light naphtha
Heavy naphtha
LCO
HCO
Bottoms
The standard product sulfur content is distributed across a sulfur assay

spanning over 100 real and pseudocomponents in the simple fractionation
model. With this sulfur assay, the individual product sulfurs are developed
from stream compositions flowing from the separation correlations in the
fractionation model. In this way, the product sulfurs show the impact of
cutpoint and overlaps in the real products.
In a parameter case, the real product flows and sulfur contents are input and
used to deduce the standard product sulfur contents. The resulting standard
product sulfurs can then be examined for reasonableness. In simulation cases
(simulation, case study, optimize), the reactor correlations predict the
standard product sulfurs that are distributed into the fractionated products.
The standard CatCracker model is setup to represent five real products as
listed above. Even if some of these streams (for example, heavy naphtha or
HCO) do not exist for the current model, reasonable sulfur values must be
entered for these streams that make sense when compared to the existing
streams: light naphtha, LCO, and bottoms.
Coke Production and Handling

Coke make is separated into five distinct categories:
Kinetic coke
Metals coke
Conradson carbon feed coke
Non-vaporized feed coke
Stripper source coke
The Conradson carbon coke and non-vaporized coke are assumed to be

physical types of coke and are therefore deposited on the catalyst at the
entrance of the riser prior to any cracking or coking reactions. Kinetic coke
and metals coke are both determined from kinetic expressions and are
deposited on the catalyst gradually as reactions proceed through the riser and
reactor. The stripper source coke is determined from the cat/oil ratio and
stripper performance curves.
126
8 The FCCU Model
Kinetic Coke
Kinetic coke make is calculated by the following Arrhenius-type equation:
Rate (mol feed/hr/vol) = Af * Ai * exp(-Ea/RT)

Where, for kinetic coke:
Variable
Corresponds to
Af
A frequency for the conversion of 3-ring aromatics to coke
Ai
A collection of activities including catalyst activities
Ea/R
An activation energy for the conversion of 3-ring aromatics to coke
Temperature in R
In Parameter cases, a parameter associated with the coke activities is

determined from a set of test run data from the CatCracker. This parameter is
a linear multiplier on the kinetic coke rate.
The 21-lump reaction path schematic shows all of the paths that produce
kinetic coke. Each of these paths has associated with it an Arrhenius type rate
expression. Currently, not all of the paths that produce kinetic coke are used.
The paths that are in use reflect the conversion and involve the following
lump types: Nl, Ar1l, Ar2l, Asl, Ph, Nh, Ar1h, Ar2h, Ar3h, Ash, Ra1, Ra2, Ra3,
Ras.
Metals Coke
Metals coke make is calculated by the following equation very similar to that
used for kinetic coke:
Rate (mol feed/hr/vol) = Af * Ai * exp(-Ea/RT)

Where Af and Ai are defined similarly to the kinetic coke activities except that
Ai has a dependence on the active metals on the catalyst. The term Ea/R is
defined by the constant for the 3-ring aromatic conversion to metals coke and
T is temperature in R.
A parameter is adjusted in a Parameter case to match test run data. It is a
linear multiplier on the metals coke rate.
Feed Source Coke

Feed source coke is determined from the Conradson carbon residue analysis.
The CCR in wt % for all of the feeds is blended on a mass basis and then the
blended feed (including any recycles) CCR is entered into the riser model. The
riser model contains coke deposition factors due to CCR. There is a riser CCR
factor that can be adjusted to control the deposition of coke. The default
value for this deposition factor is 0.5 and may be reset if analyses indicate
that the default value is not suitable.
Stripper Source Coke (Occluded Coke)

The stripper source coke is defined as the hydrocarbon entrained with the
catalyst in the stripper and is then transferred to the regenerator where it
8 The FCCU Model
127
appears as coke and is burned. This stripper coke is relatively high in

hydrogen content and this gives a much higher heat of combustion than the
feed and kinetic sources of coke. Therefore, it is much more detrimental to
the regenerator bed temperature, resulting cat/oil ratio, and finally
conversion. Also, the stripper source coke has roughly the same composition
as the reactor effluent (50% of the hydrocarbon is highly valued gasoline).
For information on fine-tuning the stripper model, refer to Heat Balance
Tuning.
Initial Vapor Entrainment

The amount of vapor entrained with the catalyst at the top of the stripper will
determine how hard the stripper will have to work to reduce the hydrocarbon
carried over to the regenerator. In essence, if the stripper operating
conditions (pressure, temperature, and steam rate) were held constant while
the amount of hydrocarbon entrained at the top of the stripper increased, the
amount of hydrocarbon carried over to the regenerator as coke would
increase.
The entrained vapor rate is indicated by the parameter variable
RXSZ_VEffl_Per_Mass_Cat_In in units of (volume of vapor effluent)/(mass
of catalyst). This variable is normally used as a parameter and is determined
by a preconceived notion (estimate) of the stripper efficiency (variable
RXSZ_Stripping_Eff would thus be a measurement at a typical estimated
value of 85%). The efficiency variable is defined as the percent of
hydrocarbon entering the stripper (from the top) which is removed by the
action of the stripper.
Stripper Performance Curve Slope

The stripper performance curve is an arbitrary function that is asymptotic at
very high steam/catalyst ratios. The efficiency increases with steam/catalyst
ratio, but as the efficiency approaches 95%, the rate of efficiency increase
begins to taper off. The slope of the curve, that is (delta efficiency/ delta
steam/ catalyst), at efficiencies less than 95% can be changed by setting the
slope for the performance and then re-running Aspen Plus CatCracker in
parameter mode. A typical value for the slope is 0.5 to 1.0. A higher value of
slope will make the stripper more sensitive to process changes. In other
words, when the catalyst circulation rate is increased, the incremental amount
of coke produced will be larger when the slope term is higher.
Material Balance Reconciliation

The CatCracker model performs mass balances in two different ways
depending on the run mode.
In a fitting run (Parameter case), the light naphtha (or debutanizer bottoms)
yield is calculated by difference.
128
8 The FCCU Model
In a predict run (Simulation, Case Study, LP vector, or Optimization mode),

the fresh feeds are distributed among the products in a simultaneous solution
of reaction and heat balance expressions.
In a parameter case, the mass balance is as follows:
The fresh feed rates are constant.
Coke is calculated from air and flue gas data.
H2S is calculated by difference since feed, naphtha, cycle oil, and SOX
sulfur are specified.
Pure components H2 through the C5 and C6 components are specified.
Heavy naphtha, LCO, HCO, and bottoms yield are specified.
Light naphtha is by difference.
The parameter case mass balance is displayed at the top of the Analysis
sheet. A positive bias means the feed rate is too low to match the input
yields. The bias is the difference between the input light naphtha rate and the
adjusted light naphtha rate calculated to force the mass balance.
On the Param worksheet, the light ends yields are entered once for the pure
components using GLC information. However, the heavy ends yields
(naphthas and cycle oils) are entered twice. The first table is used to generate
reaction parameters. The second table is used to generate separation
parameters in the simple fractionation model. The light naphtha yield is used
in the first table to calculate the measured light naphtha yield. The light
naphtha yield is not entered in the second table since this is the adjusted
yield. The mass balance bias is the difference between these two flows. This
method of parameter case mass balancing is the default system for the
CatCracker model. In a predict run (simulation, LP vector, case study, or
optimization), the model performs mass balances in a complex simultaneous
solution of the reactor and fractionation expressions.
FCCU Model Configuration

The CatCracker model is made up of building blocks that model the
components in the CatCracker. These components include risers, slide valves,
and standpipes along with the regenerator and the reactor. Riser models
solve the kinetic equations along the riser simultaneously with the equations
representing hydraulics and heat effects. In addition, the models describe
coke lay down and entry zone effects. The pressure balance throughout the
reactor, regenerator, and connecting components is maintained. Pressure
drops are calculated for risers, standpipes, and slide valves. Throughout the
reactor models, the catalyst stream flow includes mass flow, temperature,
pressure, heat capacity (catalyst + coke mixture), particle density (catalyst +
coke mixture), coke on catalyst weight fractions and coke constituents (C, H,
O, N, S) as atomic weight fractions.
This section discusses briefly the important building blocks of the CatCracker
model. It first reviews the 21-lump model and then presents material on the
major blocks of the CatCracker.
8 The FCCU Model
129
Risers
Riser models consist of six key ingredients:
Riser configuration
Pressure drop
Hydraulics
Heat effects
Coke laydown effects
Entry zone effects
The riser model is a segment of the fluidized riser that models the kinetics in
the riserand includes the geometry of the riser for hydraulic and volume
effects. It takes the hydrocarbon feed after the nozzle exit and combines it
with the regenerated catalyst to take the material to the reactor.
Two-phase pressure drops are calculated through the riser for both vertically
and horizontally configured risers. These orientations use different
correlations for hydraulic effects and pressure drop calculations. An angle of
incline may also be used for the horizontally oriented models. A pressure drop
through the riser is calculated from three different components: acceleration
(kinetic energy), frictional effects, and gravitational effects. Proper tracking of
hydraulic and pressure effects is necessary to model the changes in local bulk
density correctly. These changes interact with the kinetics along the riser.
The chemistry in the risers is endothermic and uses the heat generated in the
regenerator for the chemical transformations. This process is tracked along
the length of the riser and is manifested in the temperature profiles printed in
the detailed riser reports. In these profiles, the temperature of the
hydrocarbon catalyst mixture gradually drops from the entry zone to the riser
exit into the reactor. These temperature drops are used in the models to
determine catalyst flow rates. The net balance of the heat transfers is
summarized in the cracking parameter. This parameter is printed in custom
reports for the risers. If all properties and calculations were without error, the
cracking parameter would be zero. Generally, it is not zero, but a relatively
small number less than about 10 to 20.
Coke laydown is differentially accounted for by the kinetics along the length of
the riser and the additional solids are transferred from the vapor phase to the
solid phase. These effects are manifested by the increase in the mass of
flowing solids, decrease in the mass/moles of vapor and the changes in the
properties of flowing catalyst and hydrocarbons. As coke builds up on the
catalyst, deactivation functions are used to lower the activity of the catalyst.
A molar heat of adsorption accounts for heat effects accompanying the coke
laydown. Its counterpart, the heat of desorption, is used in the regenerator
where the coke is burned. Coke is represented by a combination of H and C in
the molar ratio of to 1. This ratio can be changed in the model if desired.
The riser/reactor system can be configured from the spreadsheet in the
following ways:
130
Feed injection points. Fresh feeds and recycles can be injected at the
bottom of the riser or at a mid-riser injection point. Each feed and recycle
can be split independently to each injection point.
8 The FCCU Model
Steam injection. Steam can be injected into the lift riser, at the bottom of
the riser and at the mid-riser point.
Lift gas. Lift gas assumed to be 100% N2 can be injected at the lift riser.
Riser dimensions. Enter riser diameter and length.
Reactor dilute phase dimensions. Enter dilute phase diameter and height.
The riser/reactor system consists of three models connected in series as

follows:
1
Lift riser
Riser first section
Riser second section
The lift riser performs a mass and heat balance with pressure drop
calculations but no reactions. Its purpose is to mix hot regen catalyst with
steam and/or lift gas injection and pass this mixture to the first riser section.
The riser consists of two sections in series. The two riser sections perform
mass balance, heat balance, pressure drop and reaction calculations. The
riser is split to allow the injection of mid-riser feeds, recycles, and steam. The
length of the first section defines the distance between the riser feed injection
nozzles at the bottom of the riser and the mid-riser injection nozzles. If no
mid-riser injection is present, simply split the riser into two sections about the
same length with zero flow to the mid-riser nozzles.
The dimensions of the lift riser are usually clear with a well-defined diameter
and length. The inlet is where the steam, lift gas, and catalyst mix. The outlet
is at the riser feed injection nozzles.
Riser dimensions are also usually clear. For modern CatCracker units, the
length is about 100 feet, and the diameter should produce inlet superficial
velocities in the 20 to 40 fps range. Ultimately, the dimensions should
generate vapor and catalyst residence times in the range of 3 to 6 seconds for
both riser sections combined. The residence times and superficial velocities
are reported on the Analysis sheet.
Reactor
The reactor model consists of three primary submodels. As the hydrocarbon
mixture enters the reactor vessel, a process of disengagement of the
hydrocarbon and catalyst begins. Cyclone models are the final stage of this
disengagement at the top of the reactor. Material entering the cyclone models
arrives there from the reactor free-board area. This area is represented by a
model that sends material, primarily catalyst, to the dense bed of the reactor.
From there the material enters the stripping zone where steam is used to
remove as much of the remaining hydrocarbons as possible from the catalyst
before it enters the spent catalyst transfer line.
Cyclone models use a parameterized, load-based calculation to entrain a
fraction of the effluent hydrocarbon vapor with the catalyst. This entrained
catalyst is sent to the dense bed model. The fraction of the hydrocarbon not
entrained is sent to the overhead line of the reactor and to the delumper
model. It ultimately goes to the MF as a set of defined chemicals and
pseudocomponents.
8 The FCCU Model
131
The reactor dense bed model is a differential-algebraic model that models

performs a single catalytic cracking reaction for the low concentration of
hydrocarbons in the catalyst bed. It also performs a DP calculation across the
height of the bed. This height can be set using pressure measurements in the
plant are be specified directly in the model. In the latter case, the DP is
calculated.
The outlet products of the reactor that proceeds to the stripping zone are the
catalyst and kinetic coke, and a portion of the entrained hydrocarbon vapor
that came down with the catalyst. Further cracking of the hydrocarbons
occurs in the dense bed and some of this material along with stripping steam
proceeds to the cyclone. There it mixes with the riser effluents that did not
entrain with the catalyst.
Heat balances are performed at each point of mixing in the above coupled
system of cyclones, free board, and dense bed. These balances yield different
temperatures at each point in the system: riser outlet (cyclone inlet), dense
bed, and reactor vessel plenum (the final effluent).
The reactor dilute phase performs mass balance, heat balance, pressure drop
and reaction calculations. The dilute phase model represents the reaction
volume that exists between the outlet of the riser and the inlet to the reactor
cyclones.
Reactor dilute phase dimensions are murkier. Modern CatCracker units have a
variety of proprietary designs that attempt to reduce this residence time to
near zero. The dilute phase model assumes a simple cylindrical geometry with
a diameter and length set to arbitrary values to usually provide a low vapor
residence time, that is, less than one second. Further, the model contains a
catalyst splitter to divert catalyst away from the dilute phase and straight to
the catalyst stripper model. Using the diameter, length, and catalyst split
ratio, you can approximate the performance of the reactor dilute phase
section. A smaller volume and high catalyst split ratio will minimize the
impact of the dilute phase section on model predictions.
Regenerator
Like the reactor, the regenerator consists of submodels, in this case the
regenerator dense bed, the freeboard (disperse phase), and the cyclones.
Each of these submodels performs heat balance, material balance and
pressure drop calculations.
The regenerator dense bed models a bubbling bed with heterogeneous coke
burn and heterogeneous and homogeneous CO to CO2 burn. At the inlet, the
following are processed:
Spent catalyst
Lift air
Regenerator air (from the main air blower with O2 enrichment)
Cyclone separated catalyst
It produces at its outlet the following:
132
Regenerated catalyst (to the standpipe models)
Entrained catalyst (to the free board model)
Combustion gas
8 The FCCU Model
Catalyst holdup, or inventory, may be specified or calculated by specification

of bed height and regenerator geometry. This is an important component of
the pressure balance calculation. The effects of air rate or catalyst circulation
depend on how the catalyst holdup is specified. If the bed height is fixed,
then the catalyst inventory will change. If the inventory is fixed, then the bed
height will change. Since the height of the regenerator is fixed by its physical
dimensions, it follows that when the dense bed height is allowed to vary, the
free board height will vary. These height changes affect the coke burn and are
accounted for in the model calculations.
The freeboard model represents the section of the regenerator between the
top of the dense bed and the inlet of the cyclones. Its inlet is the entrained
catalyst from the dense bed and the dense bed combustion gases. It produces
for its outlets the freeboard combustion gases and catalyst stream to the
cyclones. The freeboard model is a plug flow reactor that continues the
heterogeneous coke burn and the homogeneous CO to CO2 burn (afterburn).
Since there is little catalyst in the freeboard region, further coke burn
reactions can produce large temperature changes from the freeboard to the
cyclone inlets.
The regenerator cyclone model performs a two-phase, loading-based DP
calculation for the cyclones. It returns all of the entrained catalyst to the
regenerator dense bed. This sets up a recycle of catalyst that can alter the
steady-state level of coke on regenerated catalyst and the dense-bed
temperature. It reports flue gas compositions on a standard Orsat dry-mole
percent basis.
Stripping Zone Model

The stripping zone model performs the heat, mass, and pressure balance
calculations around the stripping zone. Its inputs are the stripping steam and
the spent catalyst with kinetic coke from the reactor dense bed. It calculates
the stripping steam to the dense bed, the stripped, slightly cooled catalyst,
and the portion of the stripping team going into the standpipe and then into
the regenerator.
This model uses a correlation to account for the hydrocarbons stripped from
the catalyst on its way back to the regenerator. This correlation is in the form
of a parameterizable stripping efficiency curve. It makes use of the mass-ratio
of catalyst flow to the stripping steam flow. The lower this ratio, the better
the stripping. As hydrocarbon is stripped away, the H to C ratio drops. In the
correlation, when the stripping efficiency decreases, the H to C ratio
increases.
Catalyst Standpipe, Slide Valve and

Transfer Line
In the plant, these units transport the spent catalyst with coke deposits back
to the regenerator. In the model, these units serve this purpose by
establishing the links to the catalyst in the reactor. However, their primary
purpose in the model is to set up the pressure profiles that drive the catalyst
back to the regenerator. Pressure changes in the vertical standpipe as the
catalyst goes to the slide valve are substantial. The hydraulics of this type of
8 The FCCU Model
133
flow are modeled in this unit. In the transfer line the flow regime is different,
calling for a different set of calculations for the pressure changes.
CatCracker Nozzle System

The nozzle system mixes feed with the hot catalyst and removes heat from
the catalyst to heat and vaporize the feed. In the 21-lump model, this process
is complicated by the process of converting from the detailed component list
to the 21-lump components used in the R/R system. All flashes are based on
the detailed component list. Once the transfer of energy from the catalyst to
the full feed is determined, the final temperature is applied to the 21-lump
composition to determine the equivalent enthalpy for this compacted
component set.
Simple Fractionation
The CatCracker model contains a simplified fractionation model that produces
realistic naphtha and cycle oil products as observed in the CatCracker unit.
The reactor model produces a 19 lump effluent, along with inerts like steam.
Several layers of delumping models expand the 19 lumps to a mix of over
100 real and pseudocomponents suitable for driving fractionation models. In
the CatCracker model, this stream is passed to a simplified fractionation
scheme. Alternatively, this stream could also be fed to a rigorous fractionation
model in more complex simulation projects.
The simple fractionation model is a cascade of six stream splitters. The first
splitter removes C3material from the effluent since this light material is not
needed in the downstream splitters, which are designed to produce naphtha
and cycle oil products. The C4+ effluent is passed to the next splitter, which
peels off the bottoms product. The remaining material then passes to the
third splitter, which peels off the HCO product. Three following splitters
operate similarly to produce LCO, heavy naphtha and light naphtha
respectively. The final splitter produces the light naphtha stream and a
stream of C4s and C5s. The light naphtha contains C4s based on a C4 content
or RVP spec. The C4s and C5s not used to meet these specs are the final
output stream from the splitter cascade. All of these streams then pass to a
custom report model (ACTYLD) that creates various yield summaries.
The naphtha and cycle oil splitters contain split ratios for each component to
produce the desired bulk product. These split ratios are based on specialized
models that relate empirical separation factors to the simple splitter
component ratios. The separation factors are similar to vapor-liquid
equilibrium ratios. In other words, for each product, an empirical correlation
is used to generate apparent K ratios that are then used to set the split factor
for each component in the splitter. The result is then a product with a
component distribution that generates distillation curves with overlaps as
normally observed in a commercial unit. In a Parameter run, these K ratio
correlations are adjusted to match the observed product yields and
distillations.
Flow and distillation point targets can be specified for the simple fractionation
products. As these targets are moved, the model will conserve both mass and
134
8 The FCCU Model
volume among the products. Further, product overlaps will be maintained.

However, as the simple model does not use rigorous thermodynamics or flash
calculations, moving these targets may not track the performance of a
commercial main fractionator. This would require a complex, rigorous main
fractionation model.
The simple fractionation model is hard-coded for five products, light naphtha,
heavy naphtha, LCO, HCO, and bottoms. For products that are not present in
the unit, the flow is set to near zero, but not exactly zero! For example, if
only one naphtha product is present, that is, debutanizer bottoms, then set
the heavy naphtha flow to a constant low rate like 0.1 MBD and use the light
naphtha inputs for the debutanizer bottoms product. Similarly, if HCO is not
present, set its rate to a constant 0.1 MBD for all cases.
Aspen Plus CatCracker Input

Data Requirements
the data required to tune Aspen Plus CatCracker includes properties for feeds,
recycles, products, fresh catalyst, and makeup catalyst; operating conditions
(flows, temperatures, and pressures); and mechanical dimensional data
sufficient to calculate reaction volumes and superficial velocities in vessels,
transfer lines, and standpipes. Test runs are the preferred source of data
although routine operating data, if it has sufficient information, can be quite
useful to tune the model as well.
Feed Blending
The CatCracker units modeled to date typically have several distinct feed
classes including:
Virgin gasoils.
Resid.
Imported gasoils.
CatCracker cycle oils.
Hydrocracker gasoils.
Coker gasoils.
Projects have been implemented with and without feed blending being
included as part of the model.
Feed composition changes are taken into account using the feed bulk
inspection properties described below. The total feed to the unit may be
characterized in this way to generate the reactive component lumps used in
model. However, to model the CatCracker unit feed selectivity most
accurately, adjust individual feed blend components to match the most
recently available bulk property inspections (list given in the table below).
Then blend the resulting lump compositions together to create a composite
feed. Since the adjustment of the individual feeds results in the creation of
detailed lump compositions for each individual feed, the blended lump
composition is more accurate. When blending feeds, the blended bulk
8 The FCCU Model
135
properties do not provide sufficient information to fully characterize the feed

in detail; detail which Aspen Plus CatCracker can take advantage of.
Gas Oil Inspection Properties
API gravity
D2887 distillation
Refractive index (optional, recommended)
Viscosity @210 F (optional, recommended)
Sulfur
Basic Nitrogen
Conradson carbon (Ramsbottom is optional)
Routine model tuning feed data requirements:
API gravity
D2887, D1160, or TBP distillation (D86 is an option but is not

recommended)
Refractive index and refractive index temperature (optional, but

recommended)
Viscosity (optional, but recommended)
Sulfur
Basic Nitrogen
Conradson carbon residue (Ramsbottom carbon residue may be used

instead)
Routine model tuning product data requirements:

(Requirements will depend on the refiners need for some of these data.)
C6 GC For All Light Materials (LN, Light Ends)
Distillation for LN, HN, LCO, HCO, Slurry
API Gravity
Sulfur and Nitrogen for naphthas
RVP for the lightest naphtha product
RON/MON for naphthas
For LCO and HCO
Cloud Point
Pour Point
Sulfur/Nitrogen
Viscosity
Overall Plant Material Balance for Tuning Runs
Operating Conditions / Data

Regenerator
136
Flue Gas Temperature / Composition (Tuning only)
Cyclone Temperature(s) (Tuning only)
Dense Bed Temperature (Tuning only)
8 The FCCU Model
Pressure Profile (Tuning only)
O2 Injection Rate
Regenerator Air Rate
Ambient Temperature and Relative Humidity
Air Blower Performance Curves
Expander Performance Curves
Carbon on Regenerated Catalyst
Riser/Reactor
Riser / Reactor Temperatures
Pressure Profile: Reactor Vessel / Stripper
Stripping Steam Rate / Conditions
Dispersion Steam Rate / Conditions / Point(s) of Injection
Lift Steam and Lift Gas Rate/ Conditions / Point(s) of Injection
Slide Valve Delta P / Positions
Aeration of Standpipe(s) / Conditions
Wet Gas Compressor Performance Curves
Main Fractionator / Gas Plant Data (As Needed by Modeling Option)
Catalyst Properties / Data

For each of Fresh Catalyst, Purchased Equilibrium Catalyst, and
Equilibrium Catalyst, the following data are required:
Metals: Ni, V, Na, Cu, Fe
MAT
Surface Area
Bulk Density
Heat Capacity
Mean Particle Diameter
ZSM-5 Content
Fresh Catalyst Makeup Rate
Purchased E-Cat Loading Rate
E-Cat Withdrawal Rate
Total Unit Catalyst Inventory (Calculated by the model)
Unit Mechanical Data (Initial tuning only)
Unit Configuration/Type (Dual Riser, Standpipes, Transfer lines, etc.)
All Vessel and Transfer Line Lining and Insulation Thickness and Properties
All Dimensions and Geometries of:
Risers
Reactor
Stripper
Regenerator
Cyclones
Slide Valves
8 The FCCU Model
137
138
Standpipes
Transfer Lines
8 The FCCU Model
Index
2
21-lump kinetic system 120
A
Abort button 10
Air Rate 77
Analysis worksheet 35, 81
Aromatic Content 81
Aspen Plus 96
Aspen Plus CatCracker 3
Engine 96
menu 11
Starting 4
toolbar 11
User Interface 9
workbook 5
ATSLV File Problem Information
106
B
Bounds 54
C
Carbon on Regen Catalyst 77
Case Study 51
Running 52, 69
Cases
Multiple 69
Running 60, 61
Types 60
Cases worksheet 46
Cat Blend worksheet 38, 81
Catalyst Data 29, 41
Adding 92
Catalyst Makeup versus MAT 90
Index
Catalyst Standpipe 133

Catalysts
Adding new 91
CatCracker Menu 61
CatCracker toolbar 60
Close button 10
Close Residuals button 10
Coke 126
Feed source 127
Kinetic 127
Metals 127
Stripper Source 127
Command Line
manual access 11
Command Line window 9, 70
computer name 13
Connect Dialog Box 12
Connection to Aspen Plus
resetting 111
Constrained Variable 108
CST Factors worksheet 29, 92, 93
D
Data
loading 7
saving 6
Specifying 50
DCOM 96
DCS 77
Degrees-of-Freedom 99, 109
Distillation Type 79
DMO
algorithm 103
Parameters 104
DMO Solver 72
Background 103
Changing 72
Log Files 106
Output 105
139
EO 98
Equation-Oriented Modeling 98
Error Recovery
Parameterization 112
Simulation 113
Excel
general guidelines for using 5
Key Operating Data 22, 39

Kinetics 120
F
FCCU Model Configuration 129
Feed
Characterization 93
Entering properties 94
Gravity 75
Metals 79
Nitrogen content 75
Preheat Temperature Control 25
Properties 94
Rate 74
Selecting 94
Type 78
Vaporization 82
Feed Blends worksheet 36, 80
Feed Data section 23, 39
Feed Input worksheet 24
File submenu 15
Flue Gas Composition 77
Fractionation Control 75
Fractionation Parameterization 28
Fresh feed recycle routing 25
H
Heat balance 82
Tuning 82
Heat Removal 78
Heavy Product Rate 75
Hidden Worksheets 48
I
Independent Variables 53
Infeasible Solutions 114
Input Data Requirements 135
Input Worksheets
loading 8
saving 8
Introduction worksheet 17
Iteration information 107, 109
140
L
Lab Data versus Estimations 80
Largest Unscaled Residuals 107
Licensing Error 118
Light-Ends Product Rate 75
Load CatCracker Flowsheet 12
LP vectors
for case study 70
generating 43, 72
results 43
Setting up calculations 59
LP Vectors worksheet 43
M
Makeup Rate 91
MAT 90
Material Balance 81
Reconciliation 128
Measurements 100
Mechanical Data 30
Model Specifications 99
Modes 100
Multi-Mode Specifications 100
Multiple Cases 69
N
No Creep button 10
Nonlinearity Ratio 109
Nozzles 134
O
Objective Function 56, 108
setting up 54
Optimization 48, 102
Activating 58
Bounds 57
Running 70
Setting up 53
Solving 70
Variables 57
Optimize worksheet 46
Options worksheet 18, 19
Over-cracking 85
Index
P
Param worksheet 21
Catalyst Data 80
Feed Data 78
Heavy Liquid Product Streams 80
Key Operating Data 76
Parameterization Cases
analyzing 74
Entering Data 66
Options 63
Running 62, 67
Parameters
comparison with measurements
101
Options 74
Saving and loading 7
PIMS Table
Generating 45
PIMS Table Worksheet 45
PIMS Vectors Worksheet 45
Pressure Balance 77
Pressure Balance Control 76
Pressure Drop Model 98
Price 47
Product
Gravity 75
properties 42
rates 42
Profit Report Worksheets 48
Profit Worksheets 47
R
Reactor 131
Reactor Dilute Phase Cracking 82
Reactor Parameterization
Heavy Ends product stream 27
Light Ends product stream 26
Recycle Stream Data 25
Refractive Index 78
Regenerator 132
Regenerator Control 76
Regenerator Temperatures 77
Reported Variables 51
Risers 130
Run Time Intervention 118
S
S Crackability 78
Scaling 115
Sequential-modular 98
Setup Cases submenu 16
Index
Setup LP Vectors Dialog Box 43

Shadow Price 108
Simplified Fractionation Model 134
Simulation Cases 46
Running 68
Simulation worksheet 38
Simulations
Saving and loading 7
Singularities 116
Slide Valve 133
SM 98
Solver Performance
improving 114
Solver Settings 61
Specifications
Changing 101
SQP 103
Startup Aspen Plus CatCracker
submenu 5, 12
Startup Options 14, 15
Stripper 137
Stripping zone Model 133
Successive Quadratic Programming
103
Sulfur Distribution 125
T
Transfer Line 133
Tuning Data 34
U
Unhiding worksheets 48
Update Spec Colors 18
User Interface
sheets 5
V
Variables
Bounding 118
Specifying 51
Viscosity 79
W
Work Process 92
Y
Yields 41
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Aspen Plus CatCracker

Version Number: V7.3

3 Specifying Data .................................................................................................50

Feed Properties .................................................................................... 94

Simple Fractionation ..................................................................................... 134

About This Document

This chapter includes the following information:

Who Should Read This Guide

Who Should Read This Guide

Access current product documentation

Search for and download service packs and product updates

Submit and track technical issues

Report product defects

Review lists of known deficiencies and defects

Registered users can also subscribe to our Technical Support e-Bulletins.

Product updates and releases

About This Document

About This Document

Introducing Aspen Plus

Introducing Aspen Plus CatCracker

1 Using Aspen Plus

Starting Aspen Plus CatCracker

From the Windows Start menu, click Programs | AspenTech | Process

When prompted by Excel, click the Enable Macros button.

When the Aspen Plus CatCracker workbook is loaded, there is no active

1 Using Aspen Plus CatCracker

Load the flowsheet

Modify startup options

Reset the Aspen Plus connection

The Sheets of the User

General Guidelines for Using

1 Using Aspen Plus CatCracker

Here are some things to consider as you use the workbook:

If you use a formula in a field that is colored blue, it will be overwritten

The model is an equation-based model and needs a good starting point to

Saving and Loading Data Files

To Save CatCracker Model Data:

The Save User Data to File dialog box appears

1 Using Aspen Plus CatCracker

Click Save to save the model data.

Loading Data Files

The Load User Data from File dialog box appears.

Browse to the file of interest.

Saving and Loading Parameter

1 Using Aspen Plus CatCracker

To Save Your Input Worksheets:

To Load Your Input Worksheets:

1 Using Aspen Plus CatCracker

2 The User Interface

The Aspen Plus CatCracker User Interface consists of three major

The Command Line Window.

The Menu and Toolbar.

The Command Line Window

2 The User Interface

Error return due to an ABORT message from the user

Close Residuals Button

After a run has failed to converge.

2 The User Interface

Manual Access to the Command Line

Toolbar and Menu

2 The User Interface

Figure 3-1 AspenPlusCatCracker Drop-Down Menu Before Connection

Startup Aspen Plus CatCracker Submenu

Startup Aspen Plus CatCracker Options