Aspen Plus Hydrocracker

User's Guide
Aspen Plus Hydrocracker

Version Number: V7.3
March 2011
Copyright (c) 2003-2011 by Aspen Technology, Inc. All rights reserved.
TM
, Aspen Plus Hydrotreater
TM
, Aspen Plus CatCracker
TM
, Aspen Plus Hydrocracker
TM
, Aspen
Plus, Aspen PIMS
TM
, aspenONE, the aspen leaf logo and Plantelligence and Enterprise Optimization are
trademarks or registered trademarks of Aspen Technology, Inc., Burlington, MA.
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This document is intended as a guide to using AspenTech's software. This documentation contains AspenTech
proprietary and confidential information and may not be disclosed, used, or copied without the prior consent of
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Contents iii
Contents
About This Document ..............................................................................................1
Who Should Read This Guide .............................................................................1
Technical Support ............................................................................................1
Introducing Aspen Plus Hydrocracker .....................................................................3
Overview.........................................................................................................3
Introduction To Aspen Plus Hydrocracker ............................................................3
The Aspen Plus Hydrocracker Engine ..................................................................4
Equation-Oriented Modeling...............................................................................4
Pressure Drop Model Example............................................................................5
Model Specifications and Degrees-of-Freedom .....................................................6
Modes and Multi-Mode Specifications ..................................................................7
Measurements and Parameters ..........................................................................8
Changing Specifications with Specification Options ...............................................9
Optimization....................................................................................................9
1 Using Aspen Plus Hydrocracker.........................................................................11
Starting Aspen Plus Hydrocracker for the First Time ........................................... 11
Resetting the Aspen Plus Connection ................................................................ 14
Exiting Aspen Plus Hydrocracker ...................................................................... 14
General Guidelines for Using the Excel Interface ................................................ 15
Saving and Loading Data Files ......................................................................... 16
Saving Data Files ................................................................................. 16
Loading Data Files................................................................................ 17
2 The User Interface ............................................................................................19
The Sheets of the User Interface...................................................................... 19
Flow Diagram Sheet ............................................................................. 20
Separation Section ............................................................................... 21
Buttons on the Flow Diagram Sheet........................................................ 22
Hidden Worksheets ........................................................................................ 28
Command Line Window................................................................................... 29
Overview............................................................................................. 29
Abort Button........................................................................................ 31
No Creep Button .................................................................................. 31
Close Residuals Button.......................................................................... 31
Close Button........................................................................................ 31
Manual Access to the Command Line Window .......................................... 31
Toolbar and Menu .......................................................................................... 32
Startup Aspen Plus Hydrocracker Submenu ............................................. 33
File Submenu....................................................................................... 36
Setup Cases Submenu.......................................................................... 38
iv Contents
Run Cases Submenu............................................................................. 38
Tools Submenu.................................................................................... 39
Development Tools Submenu................................................................. 39
Help Submenu ..................................................................................... 40
Exit Aspen Plus Hydrocracker........................................................................... 40
3 Working With The Equation-Oriented Solver .....................................................42
Introduction to the Equation-Oriented Solver..................................................... 42
Successive Quadratic Programming (SQP)......................................................... 42
Changing EO Solver Parameters....................................................................... 43
Basic EO Solver Parameters............................................................................. 44
EO Solver Output to the Command Window....................................................... 44
EO Solver Log Files......................................................................................... 46
ATSLV File Problem Information....................................................................... 46
ATSLV Details ................................................................................................ 47
Basic Iteration Information.................................................................... 47
Largest Unscaled Residuals.................................................................... 47
Constrained Variables ........................................................................... 47
General Iteration Information ................................................................ 48
Nonlinearity Ratios ............................................................................... 49
Usage Notes .................................................................................................. 49
Usage Notes-General ............................................................................ 49
Dealing With Infeasible Solutions ........................................................... 50
Scaling ............................................................................................... 52
Dealing With Singularities ..................................................................... 52
Notes on Variable Bounding................................................................... 54
Run-Time Intervention.......................................................................... 54
4 Model Parameterization ....................................................................................55
Introduction .................................................................................................. 55
Flow Diagram Sheet ....................................................................................... 55
Product Properties................................................................................ 55
Model View and Specification Through the Flow........................................ 57
Model Specifications ............................................................................. 58
Running a Parameterization Case ..................................................................... 67
Reconciliation Cases ....................................................................................... 69
More Detailed Parameterization.............................................................. 69
5 Simulation.........................................................................................................71
Introduction to Simulation............................................................................... 71
Aspen Plus Hydrocracker Simulation Strategy .................................................... 71
Commonly-Used Scripts in the EB Script Language............................................. 73
Aspen Plus Hydrocracker Variable Specifications ................................................ 73
Model CONST Specifications .................................................................. 73
Model Tuning Facts with Specifications.................................................... 77
Flowsheet Changes............................................................................... 80
Running a Simulation Case.................................................................... 82
Error Recovery - Parameterization.......................................................... 84
6 Running Multiple Cases .....................................................................................86
Overview....................................................................................................... 86
Contents v
Before You Start ............................................................................................ 86
7 Optimization......................................................................................................89
Optimization Basics ........................................................................................ 89
Setting Up Objective Functions ........................................................................ 90
Setting Up An Optimization.............................................................................. 95
Executing Optimization Cases .......................................................................... 98
Analyzing Optimization Solutions.................................................................... 100
8 LP Vectors .......................................................................................................102
Overview Generating LP Vectors.................................................................. 102
Purpose of Running LP Vectors....................................................................... 102
LP Vector Generation.................................................................................... 103
9 Reaction Kinetics Details.................................................................................108
Overview..................................................................................................... 108
Component Slate ......................................................................................... 108
Kinetic Framework........................................................................................ 113
Reaction Pathways ............................................................................. 113
10 Simplified Separation Model ..........................................................................116
Simplified Separation Model........................................................................... 116
Index ..................................................................................................................119
About This Document 1
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 the users of Aspen Plus
Hydrocracker, formerly known as Aspen Hydrocracker, in conjunction with the
Aspen RxFinery family of products, including Aspen Plus Reformer, formerly
known as Aspen CatRef, Aspen Plus CatCracker, formerly known as Aspen
FCC, 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
2 About This Document
Customer support is also available by phone, fax, and email. The most up-to-
date contact information is available at the AspenTech Support Center at
http://support.aspentech.com.
Introducing Aspen Plus Hydrocracker 3
Introducing Aspen Plus
Hydrocracker
Overview
Aspen Plus Hydrocracker, formerly known as Aspen Hydrocracker, is a
simulation system for monitoring, planning, and optimizing hydrocracking and
hydrotreating units.
Aspen Plus Hydrocracker is a member of the AspenTech new generation of
refinery reactor models. Aspen Plus Hydrocracker accurately predicts yields
and product properties for widely different feedstocks and operating
conditions. An Aspen Plus Hydrocracker flowsheet simulates all sections of the
hydrocracking unit. It can include simplified or vigorous fractionation models.
Introduction To Aspen Plus
Hydrocracker
Aspen Plus Hydrocracker consists of a client and a server. The client, or user
interface, is built from Microsoft Excel spreadsheets customized with VBA
code and macros. The client and server communicate through DCOM. This
communication should be transparent, and you do not have to understand
how it works in order to use Aspen Plus Hydrocracker If the communication
software fails, contact AspenTech.
While your primary interaction with Aspen Plus Hydrocracker will be through
the user interface, you need a basic understanding of how the server works in
order to effectively use and troubleshoot the model. The server has several
components:
- The engine (also known as the kernel or command prompt).
- The solver (DMO).
- The model, which is built as a custom Aspen Plus model using the PML
(Process Model Library) system.
4 Introducing Aspen Plus Hydrocracker
The Aspen Plus Hydrocracker
Engine
The Aspen Plus Hydrocracker engine is Aspen Plus. You do not need to be an
Aspen Plus expert to use Aspen Plus Hydrocracker this section covers the
most important concepts.
The first time the engine is used during an Aspen Plus Hydrocracker session is
when the user interface connects to the server. This brings up a command
prompt window in which you will see the invoke plant.ebs command, which
tells the engine to open several data files and build the model in the computer
memory. The command prompt 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 specification options) 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.
- What solver settings should be used.
There are different sequences of commands for different types of solutions
(parameter, simulation, optimization, reconciliation, case study, LP vector
generation, and so on.). You can look at the default command sequences on
the EB Script sheet on the user interface. The default command sequences
are all that is necessary for running the model in any of the pre-configured
solution modes, but advanced users can modify them.
During a solve, you will see three buttons on the bottom of the command
prompt window. These are labeled Abort, No Creep, and Close Residuals.
You use them to interrupt the solver. The Abort button tells the solver to quit
at the next opportunity.
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/load case data options 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 prompt while it is
active, or you can recall the command prompt using the user interface menu
option Aspen Plus Hydrocracker | Tools | Display Command Line to
review the previous commands.
Equation-Oriented Modeling
Aspen Plus Hydrocracker 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. It 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 a given solution mode. An SM model is solved procedurally one equation
at a time, and the solution procedure depends on a given specification set.
For a different grouping 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 two-
equation model, in which 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 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. Its length equals 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 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 a length of 5:
x(1) = DELTAP
x(2) = PRES_IN
x(3) = PRES_OUT
x(4) = PRES_PARAM
x(5) = MASS_FLOW
Model Specifications and
Degrees-of-Freedom
Once we tell the solver which variables are known (fixed) for a given solution
mode, it manipulates the values of the unknown (free) variables to drive the
residuals to zero. For any system of independent equations, the degrees-of-
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:
Category Degrees of Freedom
Under specified > 0
Square 0
Over specified < 0
Aspen Plus Hydrocracker modes are either under specified or square. Over
specified problems are not allowed in Aspen Plus Hydrocracker.
Aspen Plus
Hydrocracker Mode
Category
Optimization Under specified
Reconciliation Under specified
Simulation Square
Parameter Square
Case Study Square
LP Vector Square
The pressure drop example has five variables and two equations, so we must
fix three variables to create a square system. Furthermore, we cannot fix any
arbitrary set of three variables. If all variables within one equation are either
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 Hydrocracker 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!
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
over specification is not allowed since it always leads to a structurally singular
system.
Fix PRES_IN, PRES_PARAM, MASS_FLOW:
(free) (fix) (fix)
(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
Hydrocracker is configured for three basic modes: The Process Details,
ParamData and Optimize sheets in Aspen Plus Hydrocracker 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 Hydrocracker 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 Hydrocracker, the reactor vessel diameter is
usually a CONST because its value is not calculated in any mode, while the
catalyst weight of each reactor bed 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 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. Because the MEAS and
PARAM variables always have opposite specifications in every mode, there
are always the same number 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.
(MEAS) (PARAM) (CONST)
(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.
- PRES_PARAM and PRES_OUT can be computed.
Changing Specifications with
Specification Options
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 Hydrocracker this type of spec swap is made using the
Specification Options button on the Flow Diagram Sheet
A specification option is a pre-set set of alternate specifications that are
equally mathematically valid. The specification sets is set by the EBS script
defined on the ES Scripts worksheet. 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
Specification Option with the following options:
Use outlet pressure measurement
Use pressure drop measurement
These choices correspond to the following specifications:
Use outlet pressure
measurement
Use pressure drop
measurement
DELTAP spec
CALC MEAS
PRES_OUT spec
MEAS CALC
Note: The scripts that are associated with the specification options are
located on the EB Scripts worksheet. To view them, you must unhide the EB
Scripts worksheet by clicking Format | Sheets | Unhide; then clicking EB
Scripts in the Unhide dialog. The scripts start in Column L and end in Column
S.
You can add your own custom user scripts by inputting them into Column V
through Column Z. Each line must be a valid EB script command (or comment
- a line starting with //). Any blank line will be interpreted as the end of the
script.
Optimization
Optimization is a prediction mode, so it is similar to simulation. The main
difference is that there are positive DOF in optimization mode, and the solver
uses those DOF to maximize or minimize an objective function within limits on
certain variables.
To create optimization DOF, simply change the specifications of some CONST
variables to OPTIM. OPTIM variables are fixed in simulation and
parameter-fitting 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.
Essentially, you must do three things:
- Define an objective function.
- Specify the DOF (independents).
- Put maximum and minimum limits on key independent and dependent
variables.
Often a profit function contains:
- Revenue terms based on product or export utility flowrates and prices.
- Cost terms based on feed or import utility flowrates and prices.
You specify the DOF by selecting independent (OPTIM) variables from a pick
list. Aspen Plus Hydrocracker presents only CONST variables in this pick list
in 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.
1 Using Aspen Plus Hydrocracker 11
1 Using Aspen Plus
Hydrocracker
Starting Aspen Plus
Hydrocracker for the First Time
Starting Aspen Plus Hydrocracker For the First Time:
The first time you start Aspen Plus Hydrocracker, you need to:
- Load the Hydrocracker Flowsheet.
- Establish a connection to the Aspen Plus Hydrocracker model, which is an
Aspen Plus Flowsheet.
To Load the Hydrocracker Flowsheet:
1 From the Windows Start menu, click Programs | AspenTech | Process
Modeling <version> | Aspen Plus Based Refinery Reactors | Aspen
Plus Hydrocracker to launch Excel and open the Aspen Plus
Hydrocracker GUI.
2 When prompted by Excel, click the Enable Macros button.
Note: Aspen Plus Hydrocracker does not support having multiple versions of
itself or Aspen Plus installed at the same time.
When the Aspen Plus Hydrocracker workbook is loaded, there is no active
connection to the Aspen Plus Hydrocracker model, which is an Aspen Plus
flowsheet. The workbook consists of several spreadsheets where various data
can be entered and retrieved. The application also creates a new menu item
on the Excel menu bar called AspenPlusHYC. This menu provides access to
all of the GUIs primary functions including connecting to the model. Through
the Startup Aspen Plus Hydrocracker menu command, you can load the
flowsheet, modify start-up options, or reset the Aspen Plus connection. Most
of the other menu commands are inactive until the flowsheet is loaded.
12 1 Using Aspen Plus Hydrocracker
3 On the Excel menu bar click AspenPlusHYC | Startup Aspen Plus
Hydrocracker | Load Hydrocracker Flowsheet.
To Establish a Connection to the Hydrocracker Flowsheet:
The Connect dialog box appears.
1 In the Host field, enter the computer name using all lower case letters.
The Browse button will become available If the correct computer name is
entered,
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...
2 Click the Browse button.
3 Navigate into the Apinit directory, select the file hyc.appdf; then click
the Open button.
You are returned to the Connect dialog box where the hyc.appdf file name
its directory now appear in the Problem area.
4 At the bottom of the Connect dialog box, click the OK button.
Aspen Plus Hydrocracker now loads the hyc.appdf file. This loading may take
up to five minutes, depending on the speed of your machine. During this
time, the Excel cursor will become the hour-glass symbol, and the Excel
status line will display the message Loading Aspen Plus Hydrocracker
flowsheet. The cursor will return to the normal cross shape and the status
line will read Ready when the process is complete.
Once connected to the flowsheet, the previously inactive AspenPlusHYC
menu items become active. The HydroCracker toolbar is also created.
You are now ready to begin using Aspen Plus Hydrocracker.
Note: Before using Aspen Plus Hydrocracker, you may want to save the
computer name and hyc.appdf file location entered in the Connect dialog
box.
To Do This:
- Click Saving Data Files
Starting Aspen Plus Hydrocracker After the First Time:
If you saved your data file when you first opened Aspen Plus Hydrocracker,
the Connect dialog box will be populated with your computer name and the
name and location of the .appdf file.
1 From the Windows Start menu, click Programs | AspenTech | Process
Modeling <version> | Aspen Plus Based Refinery Reactors | Aspen
Plus Hydrocracker to launch Excel and open the Aspen Plus
Hydrocracker GUI.
2 When prompted by Excel, click the Enable Macros button.
The Connect dialog box appears, populated with your computer name and
the name and location of the .appdf file.
3 At the bottom of the Connect dialog box, click the OK button.
Aspen Plus Hydrocracker now loads the hyc.appdf file. This loading may take
up to five minutes, depending on the speed of your machine. During this
time, the Excel cursor assumes the hour-glass symbol, and the Excel status
line displays the message Loading flowsheet. The cursor will return to the
normal cross shape and the status line will read Ready when the process is
complete.
Once connected to the flowsheet, the previously inactive AspenPlusHYC
menu items become active. The Hydrocracker toolbar is also created.
Resetting the Aspen Plus
Connection
Occasionally, problems can occur where the AspenPlusHYC menu items 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.
To Reset The Aspen Plus Connection:
1 On the main menu, click AspenPlusHYC | Startup Aspen Plus
Hydrocracker | Reset ApMain, to reset the connection to the Aspen
Plus Hydrocracker flowsheet.
The Reset Aspen Plus warning screen appears.
2 Click the OK button to reset the Aspen Plus connection (and to terminate
all Aspen Plus processes).
Exiting Aspen Plus
Hydrocracker
The best way to exit is to use the menu item, AspenPlusHYC | Exit Aspen
Plus Hydrocracker.
1 Click AspenPlusHYC | Exit Aspen Plus Hydrocracker.
A dialog box appears, asking for confirmation.
2 Click the OK button to proceed with exiting.
You are asked whether you want to save the changes made to the Excel
workbook.
3 Click the Yes button to save your changes and exit.
-or-
Click the No button to abandon your changes and exit
-or-
Click the Cancel button to abort the exiting operation.
If you click the Yes or No button:
- The workbook closes.
- The AspenPlusHYC menu disappears.
- The AspenPlusHYC toolbar is hidden.
General Guidelines for Using
the Excel Interface
Most of the features of Excel are available in the Aspen Plus Hydrocracker
workbook. However, you should only use these features with an
understanding about the overall functioning of the workbook.
Here are some things to consider as you use the workbook:
- The only fields that you can make an entry into that the model will use are
those colored blue.
- Entries into number fields that are not colored blue are overwritten by the
workbook after a case is executed.
- Enter only values into blue fields. If you use a formula in a blue field, 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. To update the fields, click the Update Fields
button on the Hydrocracker menu.
- If a case does not converge, the calculation engine contains a starting
point that is not good for subsequent cases. Therefore, before running a
suspect case, save your case data. You can then load your case data 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. You can retrieve
it 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).
Saving and Loading Data Files
Saving Data Files
Use the AspenPlusHYC | File | Save User Data to Var File command to:
- Save the initial file when you first connect to Aspen Plus Hydrocracker.
This preserves the name of your computer and the path to the appdf file
you selected in the Connect dialog box.
- Save a file for loading later, particularly if you suspect that a run may not
converge. In this case, your saved file can provide a good starting point
for other runs.
To Save A Data File:
1 On the Excel menu bar click AspenPlusHYC | File | Save User Data to
Var file.
The Save User Data to File dialog appears.
2 In the File Name field, enter the name under which you want to save this
file. You do not need to add the var extension.
The Save As dialog appears.
4 On the Save As dialog, browse to the directory in which you want to save
this file.
5 On the Save As dialog, click the Save button.
The Save User Data to File dialog appears again.
6 On the Save User Data to File dialog, click the Save button.
Your .var file is saved.
Loading Data Files
You can load .var files that you previously saved.
Note: Loading a .var file will cause you to lose the data currently in the
Workbook.
To Load Case Data:
1 On the main menu, click AspenPlusHYC | File | Load User Data from
Var File.
The Load User Data from File dialog appears.
The Open dialog appears.
3 On the Open dialog, browse to the correct file name and directory path.
4 Left-click the file name.
The file name appears in the File name field.
5 Click the Open button.
The Load User Data from File dialog appears, with the file name and
directory path you selected entered.
6 Click the Load button to load the file and overwrite the current workbook.
-or-
Click the Cancel button to abort loading the .var file.
2 The User Interface 19
2 The User Interface
The Sheets of the User
Interface
When you start Aspen Plus Hydrocracker, the default spreadsheet is the Flow
Diagram 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 also
access many of these tabs via buttons on the Flow Diagram sheet.
The Sheets of Aspen Plus Hydrocracker are:
Worksheet Name Description
Flow Diagram Provides Flowsheet, data display entry buttons, and
change the model specification
ProcessOverview Summary of Key operation conditions
Reactor Profiles Temperature, sulfur, nitrogen, and Aromatics profile
for each reactor.
ProcessDetail Data entry and reports for the simulation case
ParamData Data entry and reports for the parameter and
reconciliation cases
Cases Entry and setup form for case studies
PIMS Vectors Vectors for generating a PIMS Table
PIMS Table PIMS Table
LP Vectors Entry and setup form for LP vector calculations
Optimize Entry and setup form for optimization calculations
Profit 1 Entry and setup form for profit based objective
function 1
Profit 1 Report Report form for objective function 1
function 2
function 3
Many of these sheets can also be accessed by buttons on the Flow Diagram
sheet.
20 2 The User Interface
Flow Diagram Sheet
The Flow Diagram Sheet provides a overview of the process flow for the
hydrocracker. The Aspen Plus Hydrocracker/Hydrotreater model is built based
on Aspen Plus.
The figure below shows the process flow sheet, which is built into the Flow
Diagram sheet of the Excel spreadsheet.
The Flow Diagram Sheet has three main sections:
- Feed system.
- Reaction section.
- Separation section.
Feed System
The Feed System consists of AspenPlus blocks and customized blocks. These
blocks let you build the feeds fed into the reactor. These blocks provide you
flexibility in specifying the feeds.
Feed Stream Model (AFFED1-AFFED6).
Six pre-specified feed stream blocks are provided based on the Aspen feed
information database.
- Light vacuum gas oil (LVGO)
- Heavy vacuum gas oil (HVGO)
- Light coker gas oil (LCGO)
- Heavy coker gas oil (HCGO)
- FCC LCO (LCO)
- Hydrocracker bottoms (RECOIL)
Feed Adjuster Model (FEEDADJ).
In this model, you can adjust (within reasonable constraints) all feed
fingerprints by a feed adjuster model to match client-specified bulk
properties:
- distillation
- gravity
- sulfur
- total nitrogen
- basic nitrogen
- bromine number
- refractive index (optional)
- viscosity (optional)
Reaction Section
The blended feed, recycle oil, and hydrogen mixed with the recycle gas
through a compressor are mixed again, then sent to a furnace (modeled as a
heater). The effluent from the furnace is sent to Reactor 1. Therefore, the
reactor R1 inlet temperature can be adjusted by manipulating the heater
outlet temperature.
The whole reactor is modeled by a series of standard Aspen EO reactor
blocks, which include,
- Olefins Reactor Models (OLFRXN). One extent-of-reaction block
(EOXNTRXN) is used for saturating the olefins to the reactor
components.
- Reactor Bed Models (R1B1-R2B2). One reactor block (EORXR) is used
for each catalyst bed. The Langmuir-Hinshelwood (adsorption-
reaction/inhibition-desorption) mechanism is assumed. Collocated trickle-
bed kinetics and phase equilibria are employed. Reaction rates and phase
equilibrium are recomputed at each collocation point, which provides very
precise prediction of heat release.
Reaction types include:
Saturation of olefins
Saturation of aromatics
Hydrodesulfurization (HDS)
Hydrodenitrogenation (HDN)
Ring opening
Ring dealkyation
Paraffin hydrocracking
Separation Section
The effluent from the reactor goes through two heaters:
- E1H integrated with the feed heater E1C.
- An air cooler (FinFan).
The effluent then enters the separation section.
The Separation Section contains a number of Aspen Plus blocks and
simplified separation models:
Block Description
High Pressure Separator
(HPS).
The bottom stream of HPS goes to a
Low Pressure Separator (LPS). The
model is an Aspen Plus flash model.
Low Pressure Separator
(LPS).
The bottom of LPS is sent to the
separation section (main
fractionator, gas plant, and so on).
The whole separation section is built
as a simplified separation model.
Simplified Separation
Model for Main Fractionator
and Gas Plant (PRODSP)
This simplified model uses a
combination of component splitters,
analyzers, and calculators.
Buttons on the Flow Diagram Sheet
Button Action
R1 R2 HTR takes you to the Process Detail sheet to
display a summary of the current running
conditions
Feeds takes you to the Process Detail sheet to
display feed properties of the combined feed
and input sheet for each individual feed
Yields takes you to the Process Detail sheet to
display:
the volume and mass yields of product
the product properties of each product
Process Overview takes you to the Process Overview sheet,
on which general information for
AspenPlusHYC model is presented
Reaction Profile takes you to the Reaction Profile sheet. On
this sheet a set of diagrams is set to present
the temperature, sulfur, nitrogen and
aromatic contents for the two beds in the
two reactors
Specification Options a dialog box pop up to let you select which
mode to run:
- Temperature Control
- User Scripts
Click the appropriate tab; then click the
Select button.
Run a Param case automatically refreshes the ParamData
sheet when the data is passed back to the
spreadsheet from the solver
Process Overview Button
On the Flow Diagram Sheet, click the Process Overview button to view the
Process Overview sheet as shown below.
Reactor Profiles Button
On the Flow Diagram Sheet, click the Reactor Profiles button to view the
Reactor Profiles sheet as shown below.
Specification Options Button
On the Flow Diagram Sheet, click the Specification Options button to
select specification options on the Select Spec.Options dialog as shown
below.
To Change A Specification:
1 Click the desired tab: Temperature Control or User Scripts.
2 Click the Specification you want to change.
3 Click the Select button.
The specification you selected is updated.
For details about setting and swapping specs, click here.
Feeds Button
On the Flow Diagram Sheet, click the Feeds button to view the Feeds
section of the Process Detail sheet as shown below.
R1 Button
On the Flow Diagram Sheet, click the R1 button to view the Reactor 1
R2 Button
On the Flow Diagram Sheet, click the R2 button to view the Reactor 2
HTR Button
On the Flow Diagram Sheet, click the Htr button to view the Heaters,
Exchangers and Flashes section of the Process Detail sheet as shown
below.
Save to Prior Button
The Save to Prior button saves the current solution to the Prior column on
these worksheets:
- Process Details
- Process Overview
- Param Data
This lets you make quick comparisons between different runs. For example,
you can run a base case and save the values to the Prior column. Then, for
any simulate run, you can quickly compare the results in the value column
to the prior column to see how things changed.
H2 Streams Button
Click the H2 Streams button on the Flow Diagram Sheet to view the H2
Streams section of the Process Detail sheet as shown below.
H2 Balance Button
Click the H2 Balance button on the Flow Diagram Sheet to view the H2
Balance section of the Process Detail sheet as shown below.
Yields Button
Click the Yields button on the Flow Diagram Sheet to view the Yields
Hidden Worksheets
The Aspen Plus Hydrocracker workbook contains several worksheets that are
hidden by default. These are not needed for general use of the workbook, but
you can view the information on them.
To View A Hidden Worksheet:
1 On the Excel toolbar, click Format | Sheet | Unhide.
2 Click the worksheet you want to unhide.
Note: 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.
The Hidden Worksheets are listed below.
Worksheet Name Description
ProcessOverview
IO
Structures the layout for the ProcessOverview worksheet
ProcessOverview
Links
Contains direct cell links to the model variables available in the
workbook for the ProcessOverview worksheet
ProcessDetail IO Structures the layout for the ProcessDetail worksheet
ProcessDetail Links Contains direct cell links to the model variables available in the
workbook for the ProcessDetail worksheet
ProcessDetail
UserInput
Contains a copy of your input for the ProcessDetail worksheet
ParamData IO Structures the layout for the ParamData worksheet
ParamData Links Contains direct cell links to the model variables available in the
workbook for the ParamData worksheet
Param UserInput Contains a copy of your input for the ParamData worksheet
ProcessOverview
IO
Structures the layout for the Simulation worksheet
ProcessOverview
Links
Contains direct cell links to the model variables available in the
workbook for the Simulation worksheet
ProcessOverview
UserInput
Contains a copy of your input for the Simulation worksheet
Feed Input
EB Scripts Contains the script for execution by the calculation engine
ReceiveVars Contains and manages variables that are sent from the
calculation engine to the workbook through DCOM
SendVars Contains and manages variables that are sent to the calculation
engine from the workbook through DCOM
Registry Contains a collection of data and parameters for the Aspen Plus
Hydrocracker workbook
PIMSin
PIMSout
Command Line Window
Overview
The Aspen Plus Command Line window displays the output of commands
sent to the Aspen Plus Hydrocracker model. It appears automatically when
loading Aspen Plus Hydrocracker and when running cases.
After connecting to the Aspen Plus Hydrocracker flowsheet, you can also
manually open this window by selecting the AspenPlusHYC | Tools |
Display Command Line menu command.
When Aspen Plus Hydrocracker 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 cannot access any functions on
the command line at this time.
When a case is running, the Command Line window opens automatically. It
lets you see:
- The commands that are being sent to the model.
- The convergence path of a solution.
In these instances, when the command line opens automatically, the only
buttons available to you are:
- Abort
- No Creep
- Close Residuals
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 Excel
user interface.
Click the Close button only:
- 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
Window
After connecting to the Aspen Plus Hydrocracker flowsheet, select the
AspenPlusHYC | Tools | Display Command Line menu command. The
Aspen Plus Command Line window appears.
When you open the command line manually, some buttons are available and
some are not:
Button Available
Execute Yes
Abort No
No Creep No
Close Residuals No
Close Yes
The Abort, No Creep, and Close Residuals buttons have no effect when the
command line has been opened manually unless the Execute command is
invoked to run Aspen Plus.
The Close button closes the command line window and returns you to the
Excel spreadsheet. While the command line window is open, you cannot
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 are 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 Hydrocracker workbook is selected, Microsoft Excel is
loaded and then the Hydrocracker VBA loads a drop-down menu selection to
the Excel toolbar labeled AspenPlusHYC. This menu contains selections that
activate macros within the Hydrocracker VBA. This section explains the
options and dialogs that are available from the Aspen Plus Hydrocracker
dialog. Many of the options are associated with the cases for Hydrocracker
modeling.
Startup Aspen Plus Hydrocracker Submenu
Overview
When you select the AspenPlusHYC option on the toolbar, the drop-down
menu appears as shown below. Some of the options are grayed out because
the workbook has not yet been connected to the calculation engine through
the server. The options on the Development Tools submenu are for
advanced functions in the workbook and will not be covered here.
The selection you should make at this time is Startup Aspen Plus
Hydrocracker. With the exception of the advanced functions, this is the first
selection you should make when you first activate the Aspen Plus
Hydrocracker workbook.
The Startup AspenPlusHYC submenu contains the commands you typically
use when you first activate the Aspen Plus Hydrocracker workbook.
When you select Startup Aspen Plus Hydrocracker option, the menu
shown above appears.
Command Function
Load
Hydrocracker
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 Hydrocracker 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 Hydrocracker
Flowsheet command to reconnect the workbook.
Connect Dialog Box
1 On the Excel menu bar, select AspenPlusHYC | Startup Aspen Plus
Hydrocracker | Load Hydrocracker Flowsheet.
The Connect dialog box appears.
2 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 hyc.appdf, and then click Open.
4 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 Hydrocracker 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 Hydrocracker 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
AspenPlusHYC menu commands become active, and the Aspen Plus
Hydrocracker toolbar is created.
5 Now save the workbook using the Excel File | Save command, to
preserve the computer name and hyc.appdf file location entered in the
Connect dialog box.
Startup Options Dialog Box
The Startup Options dialog box is shown below. This dialog box lets you
specify a default problem solution to load into the workbook other than
hyc.appdf (the base solution).
When the workbook is opened, there is by default no connection established
with the Hydrocracker 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 Hydrocracker
spreadsheet and load a specific user data file immediately upon opening the
Hydrocracker GUI.
At the top of the Startup Options dialog box, you can choose to make a
connection to the Hydrocracker model either manually or automatically. If
you 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.
To Set Startup Options:
1 On the Excel menu bar, select AspenPlusHYC | Startup Aspen Plus
Hydrocracker | Startup Options.
The Startup Options dialog box appears.
2 Select Manual Startup or Automatic Startup. Your choice will
determine whether the connection to the Hydrocracker model is made
manually or automatically.
3 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 hyc.appdf file. To do
so, select the Load User Data from File? checkbox.
4 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.
5 Click OK.
File Submenu
The second submenu on the AspenPlusHYC menu is File.
The File submenu contains four commands:
Use this
Command
To
Load Case Data Invoke a dialog box to load a case file
Save Case Data Invoke a dialog box to save a case file
Load User Input
Sheet
Load data you previously entered on a
Parameter or Simulation worksheet
Save User Input
Sheet
Save data you previously entered on a
Parameter or Simulation worksheet
Use the items on this menu to:
- Save and load case data.
- Save and load your data entry sheets.
Load Case Data
Use the Load Case Data command to load in a good starting point from
saved data. Typically the file you load you have previously saved using the
Save Case Data command. Do this when a solution is not achieved and the
solver is left with a bad starting point.
Save Case Data
Use the Save Case Data command to save a file which has a good starting
point for possible later retrieval using the Load Case Data command. It is
good practice to periodically save data, because the solver can sometimes be
left with a bad starting point if a solution is not achieved.
The hydrocracker model is an equation-based model that 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.
Load User Input Sheet
Use the Load User Input Sheet command to avoid retyping data if it is lost
in a run that doesnt converge. After you retrieve a case, the values in
worksheets are updated. If you have entered data on the Parameter or
Simulation worksheet, this data is overwritten. To retrieve this overwritten
data, execute the Load User Input Sheet command.
To Load User Input Sheets:
- Click the Load User Data ( ) button.
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 Input Sheet
Use the Save User Input Sheet button to save your data entry sheets for
later retrieval if the data entry is lost in a run that doesnt converge. If you
need to reload a case, your data entry on Parameter or Simulation
worksheets will be overwritten. To retrieve your data entry, use the Load User
Input Sheet command.
Setup Cases Submenu
The third submenu on the AspenPlusHYC drop-down menu is Setup Cases.
This submenu is unavailable until you successfully connect the workbook to
the calculation engine as explained (fm).
The Setup Cases submenu contains six commands:
Use this
command
To
Case Study Set Up Case Studies
Optimization Set Up Optimization Calculations
Vectors Set Up Lp Vectors
Profit 1 Set Up Profit Function Number 1 For an Optimization Case
Run Cases Submenu
The fourth submenu on the AspenPlusHYC drop-down menu is Run Cases.
This submenu is unavailable until you successfully connect the workbook to
the calculation engine.
Tools Submenu
The fifth submenu on the AspenPlusHYC drop-down menu is Tools. This
submenu is unavailable until you successfully connect the workbook to the
calculation engine.
Development Tools Submenu
The sixth submenu on the AspenPlusHYC drop-down menu is Development
Tools. This submenu is unavailable until you successfully connect the
workbook to the calculation engine. Development tools are reserved for
expert users and their use is not covered here.
Help Submenu
The seventh submenu on the AspenPlusHYC drop-down menu is Help.
Use the Help submenu to:
- Invoke the on-line help.
- View details about this version of Aspen Plus Hydrocracker.
Exit Aspen Plus Hydrocracker
The eighth submenu on the AspenPlusHYC drop-down menu is Exit Aspen
Plus Hydrocracker.
The best way to exit is to use this menu item,
1 Click AspenPlusHYC | Exit Aspen Plus Hydrocracker.
A dialog box appears, asking for confirmation.
2 Click the OK button to proceed with exiting.
You are asked whether you want to save the changes made to the Excel
workbook.
3 Click the Yes button to save your changes and exit.
-or-
Click the No button to abandon your changes and exit
-or-
Click the Cancel button to abort the exiting operation.
If you click either the Yes or No button:
- The workbook closes.
- The AspenPlusHYC menu disappears.
- The AspenPlusHYC toolbar is hidden.
42 3 Working With The Equation-Oriented Solver
3 Working With The
Equation-Oriented Solver
Introduction to the Equation-
Oriented Solver
When you click on the solve button, Aspen Plus Hydrocracker submits the
mathematical formulation of the problem to the Aspen Plus open equation
model based simulation solver.
If the solution is successful:
- the kernel command window closes
- the results of the solution are returned to the Excel GUI
- the status indicators will change to Ready and Converged
If the solver fails:
- the status indicators show Ready and Not Converged
- you must perform some troubleshooting to determine the cause of the
failure
The following topics provide information on the basics of the solver
technology and error messages issued by the solver when certain types of
errors occur.
Successive Quadratic
Programming (SQP)
The Aspen Plus Equation Oriented (EO) model based 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)
3 Working With The Equation-Oriented Solver 43
Subject to c(x) = 0
xmin s x s xmax
Where:
x e R
n
Vector of unknown variables
f(x) e R
1
Objective function
c(x) e Rm Vector of constraint equations
xmin e Rn Vector of lower bounds on x
xmax e Rn Vector of upper bounds on x
A simplified description of the EO model solver algorithm is outlined as
follows:
1 Given an initial estimate of the solution vector, x0.
2 Set iteration counter, k = 0.
3 Evaluate derivative of the objective function, gradient, and the derivative
of the constraints, Jacobian.
4 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.
5 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.
6 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 s OBJCVG
- Scaled or unscaled constraint residuals s RESCVG
7 Perform a one-dimensional search to determine a search step ok so that
xk+okdk 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.
8 Update iteration counter, k = k + 1, and loop back to step 3.
Changing EO Solver Parameters
You can change 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:
DMO.parameter = value
The parameters are discussed in the following sections. As an example, the
following commands:
DMO.MAXITER = 10
DMO.RESCVG = 1.0D-5
change the maximum number of iterations to 10 and the residual
convergence tolerance to 1.0d- 5. This input would apply for all modes.
Basic EO Solver Parameters
Here are the most commonly used DMO parameters for Aspen Plus
Hydrocracker:
MAXITER Maximum number of SQP iterations allowed (default = 50).
MINITER Minimum number of SQP iterations allowed (default = 0).
CREEPFLAG Flag for the creep mode. This mode makes the optimizer moves
more conservative. It is very helpful when the problem diverges.
No (default)
Yes
CREEPITER Number of iterations to perform creep mode (default = 10).
CREEPSIZE Creep mode step size. This is the fraction of the full step to be
taken when in creep mode (default = 0.1).
RESCVG Residual convergence tolerance (default = 1.0D-6).
OBJCVG Objective function convergence tolerance (default = 1.0D-6).
EO Solver Output to the
Command Window
During each solution, the following iteration log is sent to the command
window:
- 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 DMO rescvg value 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 for Aspen Plus
Hydrocracker is only the optimization mode. The problem does not
converge until this measure gets below the DMO objcvg value defined in
the EB script for that solution mode.
- 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 of what was expected.
Near the solution, as the step sizes become small, this value becomes
close to one. There are two nonlinearity ratios:
Overall
Model
- Worst Model is the model which has the worst non-linear ratio.
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 similar to the one below appears:
<Line Search ACTIVE> ==> Step taken 3.26D-01
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.
EO Solver Log Files
Aspen Plus Hydrocracker outputs DMO solver information to two log files:
- ATSLV.
- ATACT.
These files reside in the working directory you defined in the startup menu
box (fm).
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.
ATSLV Details
Basic Iteration Information
At each iteration, the following header is printed:
This shows the iteration number and the value of the objective function.
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 point to the largest.
Constrained Variables
This section shows the variables that lie on their bounds. This is only
meaningful in a mode with degrees of freedom (optimization for Aspen Plus
Hydrocracker).
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.
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:
Value Objective 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 = AObj/Ax = ( 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:
Value Objective 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:
The iteration status shows the exit condition of that iteration. Normal
indicates a normal successful iteration. Warning indicates a successful
iteration despite some solver difficulties. Error indicates a failure. Solved
indicates 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 those at bounds in the QP
subproblem. The current degrees of freedom is the degrees of freedom less
the constrained variables. This is the true degrees of freedom for the
problem. A highly constrained solution is one that has very few current
degrees of freedom.
The number of function and Jacobian evaluations is an accumulative count
and generally matches 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 convergence function is the sum of the scaled residuals. At the
solution, this value should be near zero.
Nonlinearity Ratios
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.
Usage Notes
Usage Notes-General
This section describes some usage notes and troubleshooting tips to improve
the performance of the solver and to help diagnose common problems.
The topics in this section are:
- Dealing With Infeasible Solutions
- Scaling
- Dealing With Singularities
- Notes on Variable Bounding
- Run-Time Intervention
Bounds
Aspen Plus 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 Hydrocracker 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 Hydrocracker model.
In general, it is not recommended to heavily bound 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 Hydrocracker model is the DMO solver.
Independent Variables
Independent variables are variables whose values can be changed
independently, for example, the feed rate in the Hydrocracker 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
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.
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. In this case, the
following is printed in the OUT file:
This says that 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 Objective Overall Model
Convergence Convergence Function Nonlinearity Worst Nonlinearity
Iteration Function Function Value Ratio Model Ratio
--------- ----------- ----------- ---------- ------------ ------- ------------
Warning ... QP slack variable = 2.29070D-01
0 9.312D-04 4.809D-03 -2.779D+00 9.968D-01 C2S -2.834D-01
1 5.244D-04 4.667D-02 -2.792D+00 2.900D-01 C2S -1.846D+02
2 1.552D-02 5.479D-02 -2.922D+00 -7.475D-01 C2S -1.540D+01
3 3.853D-02 2.379D-03 -3.083D+00 9.908D-01 C2S 9.914D-01
4 1.496D-02 1.040D-02 -3.075D+00 8.346D-01 C2S 6.012D-01
+---------------------- ERROR ----------------------+
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 = 5
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
OUT 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
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 OUT 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 (e.g., 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:
The OUT file contains information on the possible cause of the singularity in
the following manner:
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:
DMO.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:
DMO.CREEPITER = 20
DMO.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 SIM or PAR case. The user, however, has 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) and you want to use a
bound to eliminate an unwanted one.
- To use this mode, enter the following script command:
DMO.LINESEARCH = 4
In general it is not recommended to heavily bound 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. Finally,
redundant bounds should be avoided.
Run-Time Intervention
During long runs, you can change the behavior of the DMO solver by clicking
one of the three buttons at the bottom of the command window. Your
selection takes effect at the start of the next DMO iteration.
The three buttons are:
Button Action
ABORT Stops the solver
CLOSE Fixes all the independent variables at their
current values and closes the residuals
NOCREEP Takes DMO out of creep mode
4 Model Parameterization 55
4 Model Parameterization
Introduction
To provide a better understanding of the Aspen Plus
Hydrocracker/Hydrotreater model, this section presents a general
description and discussion of the model.
Flow Diagram Sheet
Product Properties
You can vary product cut-points. The table below shows a list of product
properties predicted by AspenPlusHYC model.
Product Stream Properties
H2S Mass flow, mole flow
NH3 Mass flow, mole flow
H2 Total consumption (mass and moles)
C1 C1 mass flow, mole flow, mass fraction
C2 mass flow, mole flow, mass fraction
H2S mass flow, mole flow, mass fraction
H2 mass flow, mole flow, mass fraction
C4 iso/normal ratio
56 4 Model Parameterization
Product Stream Properties
Light naphtha C4 mass fraction
TBP distillation
API gravity
Specific gravity
PIANO
Total Sulfur
Total Nitrogen
RON/MON
Heavy Naphtha TBP distillation
API gravity
Specific gravity
PIANO
Total Sulfur
Total Nitrogen
RON/MON
Distillate TBP distillation
API gravity
Specific gravity
PIANO
Total Sulfur
Total Nitrogen
Basic Nitrogen
Smoke point
Pour Point
Freeze point
Bottoms TBP distillation
API gravity
Specific gravity
PIANO
Total Sulfur
Total Nitrogen
Basic Nitrogen
Cetane Index
Viscosity
For recycle hydrocracking,
- The maximum-naphtha base case recycles the 400
o
F-plus material.
- The maximum-distillate base case recycles the 700
o
F-plus material.
Distillation overlap is calibrated with plant data. The following yields and
product properties are provided. Recycle Gas Scrubber is simplified as a
component splitter, RGSPLIT, a standard Aspen Plus component splitter
block (SEP).
Note: Scrubbing efficiency can be calibrated with plant data.
If there is no recycle gas scrubber,no H2S is removed by this block.
The quench-distribution system is modeled by a Standard Aspen Plus splitter
block (FSPLIT). Mixer blocks are used for quenches. You can specify:
- Heat loss.
- Temperature.
- Pressure.
- Pressure drop.
Quench valve characteristics are not modeled, but you can specify upper and
lower limits on quench flow.
Model View and Specification Through the
Flow
The main AspenPlusHYC model data access is provided by buttons on this
sheet. A summary of the general instructions for all buttons given below:
- Buttons R1, R2, HTR. When you click one of these buttons, you are taken
to the Process Detail sheet, which displays a summary of the current
running conditions.
- Buttons Feeds takes you to the Process Detail sheet to display feed
properties of the combined feed and input sheet for each individual feed.
- Button Yields takes you to the Process Detail sheet to display the
volume and mass yields of product. In addition, it displays the product
properties of each product.
- Button Process Overview takes you to the Process Overview sheet, in
which general information for AspenPlusHYC model is presented.
- Button Reaction Profile takes you to the Reaction Profile spreadsheet.
On this sheet a set of diagrams presents present the temperature, sulfur,
nitrogen and aromatic contents the two beds in the two reactors.
- Button Specification Options pops up a dialog to let you select a mode
you want to run. You can select one, then click the Select button. The
specification will be set properly for the case running. For each running
mode, it will show later.
Note: All data sheets showing the value and specification are only for display.
Any changes will not affect the model running in this version.
Model Specifications
Strategy for Process Specification
For a number of purposes of AspenPlusHYC model running, the user need
provides sufficient process information to let the model can be tuned to match
the process situation. The AspenPlusHYC can be tuned in a number of ways.
In general, the following are required:
- Feed and product properties
- Operating conditions
- Selected mechanical data
All samples must be time-stamped. All samples must be taken within the
same 4-8 hour period. Uncompressed, hour-average process data (all
relevant tags from the DCS, if possible) must be provided for the period
during which samples are taken.
Feed and Product Analysis
Your specific needs determine whether the feed and product analytical
requirements are simple or complex.
AspenTech has a library of detailed analytical data and component
distributions (fingerprints) for several feed/product combinations. Feed
types include:
- Light and heavy straight-run vacuum gas oils.
- Light and heavy coker gas oils.
- Light and heavy FCC cycle oils.
- Pre-processed synthetic crude.
When a clients feed resembles a feed in the AspenTech database, the Feed
Adjust block in Aspen Plus Hydrocracker can obtain a good fit by skewing the
distribution of components in the base feed to minimize differences between
measured and calculated bulk properties. This is the usual starting point if the
model is to be used offline for:
- What-if studies.
- Generation of LP shift vectors.
- Certain design studies.
The following bulk inspection properties are used for model calibration,
Property Required/Optional
API gravity Required
D2887 distillation Required
Refractive index Optional (recommended)
Viscosity @210 F Optional (recommended)
Bromine number Required
Total sulfur Required
Total and basic
nitrogen
Required
The feed refractive index and viscosity are optional. If you do not provide
the refractive index and viscosity, the feed adjustor model calculates them
based on the API gravity and distillation. The refractive index, viscosity, API
gravity, and distillation are then used to calculate:
- The CA (carbon on the aromatic rings).
- The CN (naphthene ring).
- CP (paraffins).
The method used for calculating CA, CN, and CP is the NDM method.
To get a better result for characterization of the feed, AspenTech recommends
the following methods to determine the aromatic/naphthene/paraffin
breakdown for each feed,
Method Description
D1319 Fluorescent Indicator
Adsorption (FIA).
provides Total Aromatics in vol%.
NMR method provides Carbon on aromatic rings
UV method provides wt% of MONO, DI, TRI and
Tetra aromatics
HPLC high performance liquid
chromatography
Notes: If higher accuracy is required, for example, for an online closed loop
optimization project, or if the plant frequently processes feeds for which
AspenTech does not have a similar fingerprint, detailed analyses including
GC/MS, HPLC and NMR may be recommended.
To tune the Catalyst Deactivation block, you may be able to use historical
data. However, if adequate historical data are not available, at least two sets
of test-run data obtained at least three (fm)
To increase model accuracy and to be confident that feedstock effects can
be differentiated from catalyst deactivation effects individual blend stocks
should be analyzed individually. Also, analyses should be obtained for typical
composite feeds. The adjustment of the individual feeds creates detailed lump
compositions for each individual feed. This allows a more accurate
representation of the effects of individual blend stocks on hydrocracker
performance.
If you need detailed analytical data, the table below provides a list of the feed
and product inspections needed for the creation of a new fingerprint.
Feeds UnconvertedOil Diesel Kerosine Naphtha C3+C4 Fuel Gas
Tests (Note 1) Method Total 950- 950+ Total 950- 950+
Requiredfor Configuration
Prep Distillation into 950-,950+ (2) Vac Dist x x
API Gravity D287 x x x x x x x x x
SimDist D2887 x x x x x
High Temp SimDist HTSD x x x x
NOISE GC/MS x x x x
HPLC HPLC x x
PONA (FIA) D1319 x x x
HCType, wt% D4124 x x
C & H Content, Wt% D5291 x x x x x x x x x
Total Sulfur Content, wt% D4294 x x x x x x x x x
Total Nitrogen, ppmw (?) x x x x x x x x x
Basic Nitrogen, ppmw UOP269 x x x x x x x x x
Bromine Number D1159 x
H & C13 NMR D5292 x x x x x x
Other RequiredData
SimDist D3710 x
C1 - C3 GC/TC/FID
C6- GC(3) GC/FID x x
GCPIANO (4) GC/FID x
Optional Data per Client Interest
Metals (Ni,V,Fe,Cu,Na) ppmw ICP x x
Refractive Index@ 20 DegC D1747 x x
Aniline Point D611 x x
Viscosity, cst @ 100 DegF D445 x x x
Viscosity, cst @ 210 DegF D445 x x x
Carbon Residue, wt% D4530 x
Cloud Point D2500 x x
Pour Point D97 x x
Smoke Point x
Freeze Point x
Cetane Index x x
ASTM Distillation D86 x x x
RON D2699 x
MON D2700 x
RVP D5191 x
Aspen Hydrocracker FeedandProduct Analysis - Check List
Note: Estimated costs for analyses may be obtained by contacting
AspenTech. Heavy feeds must be separated into 950- and 950+ fractions,
because each fraction requires different methods. The requirements for
configuration are used to calculate feed and product compositions for 97-lump
kinetics. Lighter feeds (<10% 950+) do not need this separation. They can be
characterized with the 950- test set. Light feeds (950-) require SimDist
NOISE and NMR. Heavy feeds (950+) require HT SimDist, HPLC and NMR.
Flue gas and C6- GC are usually available from the client's lab. If multiple
naphtha cuts are present, each cut must be analyzed. If multiple C3 and C4
product streams present, we need C6-GC for each stream.
Sample Amount Needed
Light feeds without prep
distillation
1 quart
Heavy feeds with prep
distillation
2 quarts
LCO 1 quart
Bottoms with prep distillation 2 quarts
Naphtha 1 quart minimum.
(2 quarts if octanes requested. Need 1 quart for RON
and 1 quart for MON engine tests.)
If the catalysts are different for Reactor 1 and Reactor 2 such as the case for
hydrocracker, the reactor effluent after Reactor 1 should be analyzed to
properly tune the catalyst activity for hydrotreating and hydrocracking
catalyst.
Some product property requirements are optional (determined by your
needs). The following list provides some examples:
- C6- GCFor All Light Materials (LN, HN Light Ends) -- required
- Distillation -- required
- API Gravity -- required
- Total sulfur and nitrogen for all liquid products -- required
- RVP for the lightest naphtha product -- optional
- RON/MON for all naphthas -- optional
- For Distillates
Freeze Point -- optional
Smoke Point -- optional
Cloud Point -- optional
Pour Point -- optional
Sulfur/Nitrogen required
Viscosity -- required
Material Balance and Yields Calculation
Overall Plant Material Balance Sheet for Tuning Runs is required. The flow
rate for all the feed and product streams should be provided. The product
streams include the purge gas, LPS overhead gas, pre-stripper overhead gas,
LPG and, all the liquid products. In order to do hydrogen and light gas yields
balance, the gas composition is required for all the product gas streams, LPG
and makeup H2 rate. In order to verify the model, the gas composition for the
recycle gas (make up H2 + HPS overhead vapor) is also needed. The
following tables list the information needed for material balance.
Liquid Feeds and Products
Feed Bottom Diesel Kerosene Naphtha
Flowrate
X X X X X
Density
X X X X X
Liquid GC (PINA)
X
Gas Streams
H2
Makeup
Gas
HPS
overhead
vapor
Recycle
Gas
Stream
Purge
Gas
LPS
overhead
Stripper
or
reflash
overhead
LPG
Flow
Rate
X X X X X X X
Gas GC,
H2-C5
X X X X X
Liquid
GC
X
A good material balance is crucial before model tuning. AspenTech provides
an Excel spreadsheet (Hydrocracker_ANALYZE.XLS) to analyze the plant
data. The input requirements for the analyze spreadsheet include:
- Feed - flow rate, specific gravity, Molecular weight, Distillation (TBP or
D2887) and Chemical composition (H, C, S and N) of all the feeds.
- Flow rate and composition of Makeup H2.
- Flow rate and composition of all the gas products such as purge gas, low
pressure overhead gas, prefrac tower overhead gas.
- Flow rate and composition of LPG
- Feed - flow rate, specific gravity, Molecular weight, Distillation (TBP or
D2887) and Chemical composition (H, C, S and N) of all the liquid
products, such as naphtha, jet, distillate and bottoms.
The spreadsheet can estimate the molecular weight and chemical composition
(H/C ratio) if the data is missing. However, its correlation for H/C ratio may
not be good enough for a good hydrogen balance. The spreadsheet provides
conversion between D86 distillation and D2887 distillation on the Conversion
worksheet. But D86 data is usually not sharp enough for a good tuning of the
simplified distillation tower. D2887 should be obtained for all the liquid
products.
In the Material Bal worksheet, it calculates the mass balance, sulfur balance,
nitrogen balance, hydrogen balance, and carbon balance. The difference
between product sulfur and feed sulfur is assumed to be converted to H2S
and absorbed by the H2S scrubber. The difference between product nitrogen
and feed nitrogen is assumed to be converted to NH3 and dissolved in water
wash.
The mass balance, hydrogen balance, and carbon balance should be within
1%.
The spreadsheet also calculates:
- Chemical hydrogen consumption.
- C1-C5 light gas yields.
- Standard cut yields (C6-221C, 221C-321C, 321-366C, 366C-510C and
510C+).
- Volume and mass yields for liquid product.
This information is needed to tune the model. The data should be input into
the ParamData worksheet in Section 2, Measurements.
The LPS and pre-fraction tower overhead are modeled as component splitter
models. The split fraction for each product stream is calculated on the Light
Gas worksheet.
There are three sets of split factors for streams:
- LPS overhead vapor.
- Prefrac tower overhead vapor.
- Prefrac tower LPG.
The split factor is input into the ParamData worksheet of the Aspen Plus
Hydrocracker spreadsheet, or using the script file for variables :
PRODSP.LPS.BLK.LPS-OH_SPLIT_XXX =
PRODSP.PREFRAC.BLK.OVGAS_SPLIT_XXX =
PRODSP.PREFRAC.BLK.TOGASPLT_SPLIT_XXX =
Simplified Separation Model
A simplified separation model is applied to model the fractionation section.
Due to the variation of the products specification, operation condition, and
flow sheeting, the separation status varies significantly from all specific
plants. In this simplified model, there are a set of variables which can be
tuned to make the products match by their quality and yields.
The concept behind simplified fractionator model is that the logarithm of the
ratio of a component (flow not fraction) in distillate to bottoms (Ln(Di/Bi))
when plotted over temperature (the boiling point, TBi) of that component
yields a straight line (more or less a linear relationship). Figure 1 below
illustrates this concept.
The model is a collection of interpolation and calculator models to calculate
the split fraction of a certain component based on the effective cut point and
the components normal boiling point. The model interpolates a value of
Ln(Di/Bi) for a given TBi. Usually, the model is configured with 3 points
representing the two straight lines around the effective cut point (where
Ln(Di/Bi) = 0, meaning a 50 % split of the component between top and
bottom streams). The effective cut point is close to the 90% of the top
product.
There are three coefficients for each cut to determine the cut point and
separation efficiency:
- The effect cut point (ECP).
- The slope of the upper line (SITOP).
- the slope of the bottom line (SIBOT).
The three coefficients are calculated in the SEP worksheet.
For example, a standard main fractionator of the hydrocracker that has four
products (naphtha, jet, distillate and bottom) will have three sets of ECP,
SITOP, and SIBOT. The three factors, ECP, SITOP and SIBOT, will be
determined by the Aspen Plus Hydrocracker analyze spreadsheet.
When the cut points of the product change, the model can recalculate the
product flow rate and properties by changing the effective cut points and keep
the slope constants.
Figure 2 shows the effective cut points for the Jet/naphtha is 135 C. The
upper and bottom slopes are 0.16. You can change the value in the
highlighted cell to best fit the data points in the graph.
Figure 1
Principleof SimplifiedDistillationColumn
F
D
B
T B i
L
n
(
D
i
/
B
i
)
y
2
0
y
1
x
2
x
0
x
1
S I
E f f e c t i v e C u t P o i n t
D
i
/
F
i
1
0
x
2
x
0
x
1
T B i
Figure 2
Key Operating Data
Aspen Plus Hydrocracker/Hydrotreater is a process flowsheet model. Each
catalyst bed is treated as a separate reactor so that
- reaction kinetics
- pressure drop
- catalyst deactivation rates
can be configured and tuned independently.
Standard equipment models are used for everything else. Therefore, to
enable us to configure AspenPlusHYC for a given installation, we need the
following information:
For Standard (non-Reactor) Equipment:
- Heaters temperatures, pressure drop and constraints
- Heat exchangers temperatures and pressure drop
- Compressors temperatures, pressure profiles and performance curves
(optional)
- Flash drums (high pressure and low pressure separator) pressures and
temperatures
- Wash water injection system constraints
- Main fractionator / gas plant dimensions, operation conditions (rigorous
fractionator models only)
For the Reactors
- Bed dimensions (internal diameter, length)
- Quench flows
- Pressure drop
- Inlet and outlet temperature
Catalyst Properties/Data
- Type
- History (fresh, once-regenerated, and so on)
- Loaded bulk density
- Loading diagram for each bed (for example: 3 inches of " quartz balls on
top, then 3 feet of fresh 1/8 inch extrudates, then 6 feet of regenerated
1/16 inch extrudates.)
- Total catalyst inventory (by type)
- Deactivation data (temperature, feed properties, operating mode vs. time)
from previous runs
Unit Mechanical Data (Initial tuning only)
- PFDs and P&IDs
Pricing Information (for Optimization Cases)
- Prices for all blend stocks, all products, and all utilities
- Incremental value of key product properties (sulfur, octane, cetane, etc.)
Recycle Stream Data
The recycle oil stream from the bottom of the main fractionator is another
available specification. The recycle oil can go to:
- The inlet of Reactor 1.
-or-
- The inlet of Reactor 2.
The standard specification for recycle oil is the volume flow rate, which is set
as 0.1 {BBL/DAY}.
Do not set the recycle stream to zero.
Running a Parameterization
Case
Once all data has been entered, you can run a parameterization case.
To Run A Parameterization Case:
1 On the AspenPlusHYC toolbar, in the combo box, select the Parameter
option.
2 Click the Play ( ) button.
The Update Profit Reports? window appears.
3 Click the Yes button to:
- Update the initial values in these sheets:
Profit 1 Report
Profit 2 Report
Profit 3 Report
- Send the new data to the model and solve to this new set of
conditions.
-or-
Click the No button to:
- Send the new data to the model and solve to this new set of conditions
without updating the initial values on the Profit sheets.
Note: You can also run a Parameter case by clicking AspenPlusHYC | Run
Cases | Parameter Case on the main menu. If you choose this method,
jump to Step 3 above when the Update Profit Reports? window appears..
When the parameterization has been started, the data entered into the
spreadsheet is sent to the AspenPlusHYC model and the command line
dialog box appears as follows:
The only two options on this dialog available to you are:
Click this Button to
Abort stop execution of the solution to the model
No Creep remove the creep size constraint on the problem
The Close Residuals button has no effect for a Parameterization run. It is
relevant only when running an Optimization case.
When the solution is completed:
- The command line dialog disappears.
- The data is retrieved into the spreadsheet.
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.
It is recommended that once the parameter case has been run and
successfully solved, and the results have been carefully reviewed on the
Analysis sheet, the data should be saved, Saving the data will allow you to
load this data at any time so that the starting point for subsequent solutions
will be a valid parameterization.
Reconciliation Cases
You use the Reconciliation Case option to calibrate the Hydrocracker model.
A reconciliation case is essentially a parameterization case with degrees of
freedom. This is necessary because the Hydrocracker model has more
measurements than parameters to adjust.
Therefore, you input plant data (for example, yields, product properties, H2
consumption, and so on.) and then run a Reconciliation case to tune the
model.
Simple Parameterization
For simple parameterization (for example, just tuning to match sulfur from a
Hydrocracker) follow these steps:
1 Enter all data on the ParamData page.
2 Set the desired sulfur value to MEAS (for example, bottoms sulfur or total
sulfur out of the last reactor).
3 Set the tuning factor for sulfur (kinetic pathway) to PARAM.
4 Run a PARAMETER case from the menu or from the command bar.
More Detailed Parameterization
1 Enter all data on ParamData page
2 Set the desired biases and sigmas for the Recon Objective Function
(Section 4 on the ParamData page).
- The sigmas correspond to the weighting factors. The higher the sigma is,
the less effect that variable will have on the objective function.
- These sigmas and biases correspond to typical measurements we will
want to match:
Temperature rise for each bed
Volume flow rate for each liquid product
Weight percent yield for gas yield by carbon number (C1, C2, C3, and
C4)
Bottoms nitrogen and sulfur content
API gravity for each liquid product
Quench gas flow to each bed
Flow rates for LPS overhead and LPG
Purge flow
Hydrogen makeup flow
Hydrogen consumption
Note: Aspen Plus Hydrocracker comes with a pre-configured Recon Objective
Function that you can use. This objective function is configured with default
values for the biases and the sigmas. However, if you are an advanced user,
you can set up your own objective functions, but this requires modifying the
interface somewhat.
3 On the main menu, select AspenPlusHYC | Run Cases | Reconciliation
Case.
Note: Tuning factors are reported in Section 3 of the ParamData page.
5 Simulation 71
5 Simulation
Introduction to Simulation
Once the model is satisfactorily tuned to match plant data, it can be used to
predict how changes in the feed rates, feed types and composition, and
operational conditions affect yields and product properties.
Typically, you enter data into the cells highlighted in blue for each section.
Note: These highlighted cells are dependent upon the options selected.
Simulation Strategy
The Aspen Plus Hydrocracker/Hydrotreater model is an open equation-based
model. The manipulated variables (set as CONST on the variable
specification) can be interchanged with the calculated variables (set as CALC
on the variable specification). Whether the variable is constant or calculated
depends on both:
- The specification of the variables.
-and-
- The mode of the model.
Thus the models structure lets you configure the variable specifications to fix
a set of specs and then have the model predict the other set of variables.
You cannot change the values and/or specifications in the cells to apply to the
model running.
You change the model specification by:
- Invoking an EB script file.
-or-
- Issuing a command in the Command Line window by selecting
AspenPlusHYC | Tools | Display Command Line.
Four simulation modes are provided by the Aspen Plus equation-oriented
solver engine,
72 5 Simulation
- Simulation mode
- Parameter estimation
- Reconciliation
- Optimization
For instance, to run the model in a simulation mode, you would issue the
following command in the Command Line window,
SET MODE = SIM
Here is an example to illustrate how to do it. As in the Aspen Plus
Hydrotreater model, the feed blend model lets you specify the feed flow for
each feed to which it is applied. So, the flow rates for each feed are fixed, and
the blended flow (total flow) is calculated with mixer models as shown below:
Variable Name Spec
FEED.AFEED1.BLK.VOLUME CONST
And
Variable Name Spec
FEED.AFEED.BLK.VOLUME CALC
For the model running, if you want to manipulate the total flow to fit the
specification of your plant measurements, you can fix the variable
FEED.AFEED.BLK.VOLUME by setting its spec as CONST and free
FEED.AFEED1.BLK.VOLUME by setting it as CALC. This still keeps the model
squared. For this change, you can issue the following lines to the command
text box in the command line window,
FEED.AFEED1.BLK.VOLUME.SPEC = CALC
FEED.AFEED.BLK.VOLUME.SPEC = CONST
In the AspenPlus solver engine, there also are other specifications which can
be specified for different models running. Some of them are:
- Constant
- Calculated
- Measured
- Parameterized
- Optimized
For the Measured and Parameterized specifications, whether the variable is
a constant or is calculated depends on the running mode of the model.
5 Simulation 73
Commonly-Used Scripts in the
EB Script Language
Several script language commands are used with the Aspen Plus Hydrocracker
model running from command line.
- Set up the mode to run
SET MODE = [SIM | PAR | REC | OPT]
- Display the current running mode. It will return the current running mode
on the windows display area.
ECHO &MODE
- Change the variable specification
(variable name}.SPEC = [ const | calc | meas | param | optim | recon ]{
- Get the whole plant specification and save it to a file called "AHYC3.SCN".
After saving this file, Then, you can edit the file saved as AHYC3.SCN on
the disk
PRINT SPEC TO "AHYC3.SCN"
Variable Specifications
Model CONST Specifications
The Current Model Settings for the DEMO model are listed below.
- FEED Section
- RXN Section - Operating
- RXN Section - Kinetics
- PRODSP Section
FEED Section
In the feed section, most of the properties should be specified for model
running. It includes,
- Individual feed volume flow rate. There are six pre-specified feeds
provided in the feed section. The flow rates for each feed stream must be
specified correctly. To turn off any individual stream for a specific plant,
set the flow rate to zero. If you trust the total fresh feed to the reactor,
the total feed flowrate can be swapped with one of the individual feeds.
Note: The calculated feed flow should be big enough to avoid a negative flow
for this feed...
- Base Feed fingerprint for each feed. Fingerprint data can be generated
from NOISE (GC/MS) data analysis of individual feeds.
74 5 Simulation
- Feed Properties for each feed. Those properties include API, Sulfur,
Total Nitrogen and basic nitrogen, Bromine number, Refractive index
(20C) and Viscosity (210F)* and True boiling point or simulated
distillation.
*Can be calculated from specific gravity and distillation
RXN Section - Operating
The specification in the reaction section is usually presented in terms of
process operating condition and reactor kinetics. With a specific running
situation, some specs can be swapped with others. Therefore, the
specifications are presented by CONST/CALC pairing information.
- Gas/Oil ratio to first reactor. Usually, reactor feed is performed with a
given Gas/Oil ratio. So, either:
1 Free the recycle gas rate to Reactor 1.
RXN.GOR.BLK.R1_INLET_GO-RATIO.SPEC = CONST
-or-
2 Free the H2 makeup gas rate and fix the Gas/Oil ratio.
RXN.QH2SPLIT.BLK.STRM_2_MOLES.SPEC = CALC
-or-
RXN.H2MAKE1.BLK.MOLES.SPEC = CALC
- Fresh Feed inlet temperature.
- Furnace outlet temp. To fix the outlet temperature of the furnace
(actually the Aspen Plus heater block), you can free the duty of the block.
RXN.HTR.BLK.C_OUT_TEMP = CONST
RXN.HTR.BLK.DUTY.SPEC = CALC
- Inlet temperature for each reactor beds. This is a general
specification for reactor operation. In order to do so, the recycle gas
quench flow to each reactor beds is free.
RXN.QR1B2.BLK.PROD_TEMP.SPEC = CONST
- High pressure receiver temperature. Put CALC on FINFAN heater block
duty variable.
RXN.FINFAN.BLK.H_OUT_TEMP.SPEC = CONST
RXN.FINFAN.BLK.DUTY.SPEC = CALC
- Prod/Feed effluent heat exchanger hot side outlet temp
- Recycle gas compressor outlet temperature
5 Simulation 75
- High pressure receiver pressure. Reactor outlet pressure or recycle
compressor outlet pressure is free.
RXN.HPS.BLK.PROD_PRES.SPEC = CONST
RXN.R2B2.BLK.OUTLET_PRES.SPEC = CALC or
RXN.RGCOMP.BLK.PROD_PRES.SEPC = CALC
- Pressure drop for each reactor bed, furnace, heat exchanger. These
specifications allow the pressure propagation through the streams flow
affecting the simulation results.
- Make up Hydrogen composition.
- Purge gas/total recycle gas ratio.
RXN.RGPURGE.BLK.STRM_3_RATIO.SPEC = CONST
RXN.RGPURGE.BLK.STRM_3_MOLES.SPEC = CALC
RXN Section - Kinetics
The Aspen Plus Hydrocracker reactor model uses the group activity factor to
change the relative reaction rate of different reaction mechanism. The overall
pre-exponential factor, , is a combination of the three rate factors:.
Where:
= the global rate constants for each reaction
bed
= the reaction group activity factors
= the Individual rate
The tables below show the constant K-factors for each bed of the reactor
model (here only R1B1 is presented)
RXN.R2B2.BLK.GLOBAL_ACTIVITY
Global activity variables for the first bed of the first
reactor
Activity variable Value Spec
RXN.R1B1.BLK.GLOBAL_ACTIVITY CONST
Group activity variables for the first bed of the first
reactor
R1B1.BLK.SAT_ACT 1 CONST
total
k
jrate irgroup global total
K K K k - - =
global
K
irgroup
K
jrate
K
76 5 Simulation
R1B1.BLK.HSAT_ACT 1 CONST
R1B1.BLK.MSAT_ACT 1 CONST
R1B1.BLK.LSAT_ACT 1 CONST
R1B1.BLK.HDS_ACT 1.5141 CONST
R1B1.BLK.HHDS_ACT 1 CONST
R1B1.BLK.MHDS_ACT 0.75812 CONST
R1B1.BLK.LHDS_ACT 1 CONST
R1B1.BLK.HDN_ACT 1 CONST
R1B1.BLK.HHDN_ACT 1.6755 CONST
R1B1.BLK.LHDN_ACT 1 CONST
R1B1.BLK.PCR_ACT 0.2447 CONST
R1B1.BLK.HPCR_ACT 1 CONST
R1B1.BLK.MPCR_ACT 1 CONST
R1B1.BLK.LPCR_ACT 10 CONST
R1B1.BLK.ROP_ACT 0.1 CONST
R1B1.BLK.HROP_ACT 1 CONST
R1B1.BLK.MROP_ACT 1 CONST
R1B1.BLK.LROP_ACT 1 CONST
Constant Variables for the Individual Reaction Rate
Variable Name Value Spec
RXN.R1B1.BLK.KREF_HDRG1 CONST
through
RXN.R1B1.BLK.KREF_HDRG45 CONST
RXN.R1B1.BLK.KREF_PHCR1 CONST
through
RXN.R1B1.BLK.KREF_PHCR12 CONST
RXN.R1B1.BLK.KREF_SHCR1 CONST
RXN.R1B1.BLK.KREF_ROP1 CONST
through
RXN.R1B1.BLK.KREF_ROP39 CONST
RXN.R1B1.BLK.KREF_RDA1 CONST
through
RXN.R1B1.BLK.KREF_RDA58 CONST
RXN.R1B1.BLK.KREF_HDS1 CONST
through
RXN.R1B1.BLK.KREF_HDS15 CONST
RXN.R1B1.BLK.KREF_HDN1 CONST
through
RXN.R1B1.BLK.KREF_HDN4 CONST
5 Simulation 77
PRODSP section
CONST CALC
PRODSP.JETTOWER.SPLTCALC.BLK.ECP
The Distillate/Bottom cut points
90% point of product Jet
PRODSP.ANJET.BLK.D86CRV_D86CRV_90
PRODSP.MFBTMS.SPLTCALC.BLK.ECP
The heavy naphtha/Distillate cut point
90% of Heavy Naphtha
PRODSP.ANHVN.BLK.D86CRV_D86CRV_90
PRODSP.MFHVN.SPLTCALC.BLK.ECP
The light naphtha/heavy naphtha cut points
90% of light Naphtha
PRODSP.ANLVN.BLK.D2887CRV_TBPCRVWT_90
The split ratio of pre-fractionation tower LPG composition
The split ratio of LPS Fuel gas composition
The de-lumping ratio of CMAPPER Distillation curve of Distillate and Bottoms
Model Tuning Facts with Specifications
The basic tuning facts in the reaction section of Aspen Plus
Hydrocracker/Hydrotreater are provided mainly based on the types of
catalysts types and their deactivation. The Aspen Plus
Hydrocracker/Hydrotreater model is built so the model can be tuned
consistently. This section discusses model tuning.
Reaction Rate Tuning Strategy
Following table shows the group rate constants which needs to be adjusted to
match the plant observation.
Observation Group Rate constants
Each Reactor Bed temperature
rise
Global Rate constants for each
reactor bed
Product Sulfur HDS Group Activity factors
Product Nitrogen HDN Group Activity factors
Product Yields Cracking Group Activity factors
Hydrogen consumption/Total
temperature rise in the reactor
Hydrogenation Group activity
factors
Relative amount of
paraffins/naphthene ratio in the
bottoms
Ring opening group activity
factors
The variables which will remain constant in the model tuning are:
- Equilibrium constants for Aromatic saturating
- Heat of reaction for each reactions
- Activation energy for each reaction
- Adsorption constants for NH 3, nitrogen compounds, H2S, and Aromatics
- Reaction order for H 2
78 5 Simulation
Feed Property Tuning
In the Aspen Plus Hydrocracker/Hydrotreater model, Feed Adjuster models
are applied to each feed stream. For the feed specifications, the bulk
properties and the distillation information for each inlet stream, such as API
gravity, refractive index, and viscosity are used to calculate the carbon on the
aromatics and the carbon on the naphthene in the Feed Adjuster models.
Because of the degrees of freedom for the model tuning, the Feed Adjuster
model does not match all properties exactly.
In tuning the Feed Adjuster model with detailed feed analysis and product
properties, you should calculate the bias for the gross properties. In model
runs for feed property calibration, the bias of some properties should be
constant and the measurement for the feed properties should be calc, which
means that you need to swap the specification between measurements and
biases. The table below gives the all paired variables to make sure they are
swapped during the model runs.
CONST CALC
FEED.FEEDADJ.BLK.FFEED1_FEED1_RI_LAB_MEAS FEED.FEEDADJ.BLK.FFEED1_FEED1_RI_LAB_BIAS
FEED.FEEDADJ.BLK.FFEED1_FEED1_CST210_MEAS FEED.FEEDADJ.BLK.FFEED1_FEED1_CST210_BIAS
FEED.FEEDADJ.BLK.FFEED1_FEED1_TOTAL_CA FEED.FEEDADJ.BLK.FFEED1_FEED1_TOTAL_CA_BIAS
FEED.FEEDADJ.BLK.FFEED1_FEED1_NDM_CN FEED.FEEDADJ.BLK.FFEED1_FEED1_NDM_CN_BIAS
FEED.FEEDADJ.BLK.FFEED1_FEED1_H_CONTENT FEED.FEEDADJ.BLK.FFEED1_FEED1_H_CONT_BIAS
FEED.FEEDADJ.BLK.FFEED1_FEED1_MOL_WT FEED.FEEDADJ.BLK.FFEED1_FEED1_MOL_WT_BIAS
FEED.FEEDADJ.BLK.FFEED1_FEED1_LIT_LMP_WABP FEED.FEEDADJ.BLK.FFEED1_FEED1_LIT_LMP_WABP_BIAS
FEED.FEEDADJ.BLK.FFEED1_FEED1_MED_LMP_WABP FEED.FEEDADJ.BLK.FFEED1_FEED1_MED_LMP_WABP_BIAS
FEED.FEEDADJ.BLK.FFEED1_FEED1_HVY_LMP_WABP FEED.FEEDADJ.BLK.FFEED1_FEED1_HVY_LMP_WABP_BIAS
FEED.FEEDADJ.BLK.FFEED1_FEED1_LIGHT_CUT_PT_400F FEED.FEEDADJ.BLK.FFEED1_FEED1_LIGHT_CUT_PT_400F_BIAS
FEED.FEEDADJ.BLK.FFEED1_FEED1_HEAVY_CUT_PT_650F FEED.FEEDADJ.BLK.FFEED1_FEED1_HEAVY_CUT_PT_650F_BIAS
Separation Model Tuning
For the simplified separation model, the effective cut point (ECP) can be
tuned to match your distillation with some constraints. Below is a list of ECP
variables for main fractionator and jet tower separation.
Variable Name Spec
PRODSP.JETTOWER.SPLTCALC.BLK.ECP CONST
PRODSP.MFBTMS.SPLTCALC.BLK.ECP CONST
PRODSP.MFHVN.SPLTCALC.BLK.ECP CONST
Alternatives to Model Running Mode
One of the advantages of an open equation running mode is that specified
variables can be swapped with others based on the way the model is built.
So, the alternatives for the simulation running are configured as shown
below. The tables below show the constant specifications for those eight
modes:
- Fixed inlet temperatures. This is the demo case as specified. The constant
variables:
5 Simulation 79
Variable Name Spec
RXN.HTR.BLK.C_OUT_TEMP CONST
RXN.QR1B2.BLK.PROD_TEMP CONST
Note: The specified variables are usually set on block outlet variables. This
helps to easily understand the specification.
- Fixed outlet temperatures. The inlet temperature specifications are
swapped to reactor bed outlet temperatures.
Variable Name Spec
RXN.R1B1.BLK.OUTLET_TEMP CONST
- Fixed WART and T-rises
Variable Name Spec
RXN.T-BIAS.BLK.R1B2R1B1_OUTTEMP_DELTA CONST
RXN.WABT.BLK.R1_WART CONST
RXN.WABT.BLK.R2_WART CONST
- Fixed sulfur in the bottom and T-rises biases
Variable Name Spec
RXN.T-BIAS.BLK.R1B2R1B1_T-RISE_DELTA CONST
PRODSP.ANBTMS.BLK.WSULFUR_HYCSUL CONST
- Fixed nitrogen in the bottom and T-rises biases
Variable Name Spec
PRODSP.ANBTMS.BLK.WNITRO_HYCNITR CONST
- Fixed sulfur in the bottom and outlet T biases
Variable Name Spec
PRODSP.ANBTMS.BLK.WSULFUR_HYCSUL CONST
80 5 Simulation
- Fixed nitrogen in the bottom and outlet T biases
Variable Name Spec
PRODSP.ANBTMS.BLK.WNITRO_HYCNITR CONST
- Fixed conversion, and outlet T biases
Variable Name Spec
RXN.YIELDS.BLK.CONVERSION_WT_PCT CONST
Flowsheet Changes
By varying the flowsheet, the Aspen Plus Hydrocracker/Hydrotreater model
has the flexibility to match the process measurements with certain
specification changes. This provides the opportunity to use one model to fit
multiple flowsheets.
Reaction Section Change
In general, there is only one reactor with two to four beds in a Hydrocracker
plant. To reduce redundant work on flowsheeting, you can turn off the second
reactor by setting a set of specific process variables.
To Turn Off the Second Reactor:
1 Turn the quench flow to the second reactor to zero.
2 Because the reactor specifications on reactor outlet temperatures are fixed
by calculating the recycle gas flow rates (quench flow), you should swap
the specification on the outlet temperatures of the second reactor to the
recycle gas flow.
Current Spec Specs for R2 off
QR2B2.BLK.PROD_TEMP F007.BLK.QUENCH_TO_R2B1_PLANT
QR2B1.BLK.PROD_TEMP F008.BLK.QUENCH_TO_R2B2_PLANT
Note: With different simulation schemes (given a specific set of
specifications) the original constant specifications for swapping can vary.
3 Set the flow variables to zero,
F007.BLK.QUENCH_TO_R2B1_PLANT = 1.0E-6
F008.BLK.QUENCH_TO_R2B2_PLANT = 1.0E-6
4 Turn the reactor global activities for all beds to zero to avoid any reaction
taking place in the reactor.
R2B1.BLK.GLOBAL_ACTIVITY.value = 0.00000001
5 Simulation 81
R2B2.BLK.GLOBAL_ACTIVITY.value = 0.00000001
Separation Section Change
As the Aspen Plus Hydrocracker/Hydrotreater model is built, there are two
vapor product streams:
- LPS overhead
- pre-fractionation overhead gas
and five liquid streams:
- LPG
- light naphtha
- heavy naphtha
- distillate
- bottoms
If the gas flow and composition are known, to adjust the LPS overhead flow
rate and composition, you can change the following split ratios:
- PRODSP.LPS.BLK.LPS-OH_SPLIT_N2
- PRODSP.LPS.BLK.LPS-OH_SPLIT_NH3
- PRODSP.LPS.BLK.LPS-OH_SPLIT_H2S
- PRODSP.LPS.BLK.LPS-OH_SPLIT_H2
- PRODSP.LPS.BLK.LPS-OH_SPLIT_C1
Similarly, to adjust the pre-fractionation overhead composition, you can
change the following split ratios:
- PRODSP.PREFRAC.BLK.OVGAS_SPLIT_N2
- PRODSP.PREFRAC.BLK.OVGAS_SPLIT_NH3
- PRODSP.PREFRAC.BLK.OVGAS_SPLIT_H2S
- PRODSP.PREFRAC.BLK.OVGAS_SPLIT_H2
- PRODSP.PREFRAC.BLK.OVGAS_SPLIT_C1
To adjust the LPG flow rate and composition, you can change the following
split ratios:
- PRODSP.PREFRAC.BLK.TOGASPLT_SPLIT_N2
- PRODSP.PREFRAC.BLK.TOGASPLT_SPLIT_NH3
- PRODSP.PREFRAC.BLK.TOGASPLT_SPLIT_H2S
- PRODSP.PREFRAC.BLK.TOGASPLT_SPLIT_H2
- PRODSP.PREFRAC.BLK.TOGASPLT_SPLIT_C1
82 5 Simulation
The separation of the liquid products is calculated using the simplified
separation model. You can change the flow rate, cut point and overlap
between the liquid products by adjusting the cut point and top/bottom slopes.
as shown below.
Light naphtha/heavy naphtha
Cut point PRODSP.MFHVN.SPLTCALC.BLK.ECP
Top slope PRODSP.MFHVN.SPLTCALC.BLK.SITOP
Bottom slope PRODSP.MFHVN.SPLTCALC.BLK.SIBOT
Heavy naphtha/distillate
Cut point PRODSP.MFBTMS.SPLTCALC.BLK.ECP
Top slope PRODSP.MFBTMS.SPLTCALC.BLK.SITOP
Bottom slope PRODSP.MFBTMS.SPLTCALC.BLK.SIBOT
Distillate/Bottom
Cut point PRODSP.JETTOWER.SPLTCALC.BLK.ECP
Top slope PRODSP.JETTOWER.SPLTCALC.BLK.SITOP
Bottom slope PRODSP.JETTOWER.SPLTCALC.BLK.SIBOT
To avoid negative product flows, the cut point should always be increasing
from light gasoline to bottom.
Feed Specification Change
As the Aspen Plus Hydrocracker/Hydrotreater model is built, there are six
streams built for typical feeds fed into the reactor. So, if a feed is not applied
to a specific plant, you can turn the flow rate for that stream to zero to
eliminate the stream.
In order to avoid model stiff and/or singularity, you can set the flow as small
as you can (for example, 10E-6).
Running a Simulation Case
Introduction
After you have entered input data, you can solve the model with the updated
data by selecting the Simulate option from the AspenPlusHYC toolbar and
then selecting the play button. Alternatively, select the Run Cases option
from the AspenPlusHYC menu and select the Simulation Case option from
the sub-menu.
5 Simulation 83
In either case, when the solution is initiated, the model is updated with all
input data and then solved. The command line dialog appears while the model
is being solved.
When the solver has concluded (following convergence or failure) the
Simulation sheet is updated with data from the model. No other sheets are
updated.
Error Recovery
You should 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 it is generally desirable to return the simulation sheet
and model to their pre-solution states.
To Return The Simulation Sheet And Model To Their Pre-
Solution States:
1 Restore the model to the base parameter case by clicking
AspenPlusHYC | File | Load Case Data.
2 Browse for the .var file in which you saved the results of the base
parameter case.
3 Restore the simulation sheet user input by clicking AspenPlusHYC | File
| Load User Input Sheet.
4 Examine the input data as compared with the base parameter case.
Convergence failure for the simulation case typically has one of two basic
causes:
- 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.
84 5 Simulation
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.
Error Recovery - 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 it is generally desirable to return the
param sheet and model to their "pre-solution" states.
To Return The Simulation Sheet And Model To A
Converged Parameter Case:
1 Restore the simulation sheet user input by clicking AspenPlusHYC | File
| Load Case Data.
2 If this is your first attempt at running a param case, then load
user_default.var or the .var file created by AspenTech for your site.
If you have converged parameter cases for your unit, then load the
corresponding .txt file that most closely represents the process conditions
and input data for the new parameter case.
3 Restore the param sheet user input by clicking AspenPlusHYC | File |
Load User Input Sheet.
4 Examine the input data as compared with the base parameter case.
Convergence failure for the parameter case typically has one of three basic
causes:
- 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, do 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 (e.g. 0.1 BBL/D).
"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:
5 Simulation 85
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 flow
rate.
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.
86 6 Running Multiple Cases
6 Running Multiple Cases
Overview
In addition to single cases, Aspen Plus Hydrocracker lets you run multiple
cases at a time to 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 example, you might want to see what the gasoline yield looks like as a
function of riser overhead temperature. To do this, you would want to run
multiple cases with different temperatures, and then the results reported and
graphed to determine where the over-cracking peak occurs. This can easily be
accomplished by running the case study option.
Before You Start
Before running a case study, you must first set up which variables will be
varied and which variables will be reported.
To do this:
1 On the AspenPlusHYC menu, select Setup Cases.
2 On the sub-menu, select Case Study as shown below.
6 Running Multiple Cases 87
This activates the Case Study worksheet and opens a dialog box from which
you can choose the independent variables that will be varied and the
variables that will be reported as shown below.
3 Select the variables and click the OK button to set up the worksheet.
4 On the new dialog box that opens, specify the first and last case to run.
5 Click the OK button.
The worksheet is updated. The independent variable names appear on the
Case Study page in Column A starting with Row 9. The reported variables
88 6 Running Multiple Cases
appear on the Case Study page in Column A starting with Row 111. Column
B is reserved for optional user labels.
6 Once the spreadsheet is set up, input values for the independent variables
for each case to be run.
The model is now ready to execute a case study.
7 On the AspenPlusHYC toolbar, select the Case Study option; then click
the play button, as shown below.
Before the case study commences, a dialog box requesting the first and last
case opens.
8 Enter the correct information; then click the OK button.
The command line opens and the case study begins with the first case you
specified.
After the first case is solved the command line closes while the data is
retrieved to the spreadsheet. The command line re-opens when each
subsequent case starts.
For case studies, neither the Hydrocracker Summary page nor the
ParamData page is updated.
After the independent variable data has been sent, the cells are highlighted in
blue. Similarly, after the reported variables have been retrieved, those cells
are highlighted in blue.
In addition to reporting values for all of the specified report variables, a set of
LP vectors is generated for each case. These LP vectors correspond to the LP
vectors that have been set up on the LP Vector worksheet. These are
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 are
highlighted in blue.
Note: When a new case study is set up or run, the data that are currently in
the worksheet are not automatically erased. To remove any unwanted data,
you must manually highlight and delete the unwanted data.
Each step of the case study typically requires about one minute to solve and
update the spreadsheet. A single case study is somewhat faster than a
corresponding simulation because less data is sent to and retrieved from the
model.
7 Optimization 89
7 Optimization
Optimization Basics
You use Optimization to maximize or minimize a 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 variables) in a problem. The optimization
engine for the Hydrocracker model is DMO solver.
You can have more than one objective function in a problem, but only one is
used by the engine during the solution. In Optimization cases in the
Hydrocracker model, the objective functions are normally economic:
- Maximize operating profit.
- Minimize operating cost.
- And so on.
Although Aspen Plus lets you define three different types of objective
functions:
- Linear
- Sum of Squares
- Symbolic
the Hydrocracker model uses only objective functions that are in linear form.
Syntax of Setting Bounds:
Aspen Plus lets you bound every variable in the problem as shown below:
xl < x < xu
Specifying Bounds for Independent Variables
Independent variables are those variables that can be changed
independently; for example, the feed rate in the Hydrocracker 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.
90 7 Optimization
Each independent variable accounts for 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 solution from deviating too far from the starting point. You can also
impose step bounds on independent variables.
Setting Step Bounds:
The step bound of an independent variable defines how much the value of the
variable can be changed in a single optimization run. Step Bound Syntax is
shown below.
Xl = max(X - |Xstep|, Xlower )
Xu = min(X + |Xstep|, Xupper )
The actual bounds used in the run are computed using:
- The step bound
- The initial value.
- The lower bound.
- The upper bound.
You must specify upper and lower bounds for all independent variables.
Optionally, you can also define the step bounds for independent variables.
Most dependent variables in the Hydrocracker model have very wide bounds,
for example:
- 1.E20 for the upper bound.
- 1.E20 for the lower bound.
Specifying Bounds for Dependent Variables:
In general you should not heavily bound an optimization problem for reasons
that are both practical and algorithmic. While AspenTech recommends bounds
on independent variables to avoid unbounded problems, all other bounds
should be used only when absolutely necessary.
However, some dependent variables have physical meaning. For these, you
should specify appropriate bounds to prevent the solution from getting into
infeasible operating conditions. For example, there is a metallurgic limit on
regenerator cyclone temperature. Therefore, you should set an upper bound
for this variable. When setting up an Optimization case in the Hydrocracker
model, you need to define only those constrained dependent variables.
Setting Up Objective Functions
The first step to setting up an optimization case is to set up the objective
function(s). The objective function appears in the form of profit function in
the Aspen Plus Hydrocracker model. You can set up three different profit
functions in EXCEL interface. The pre-configured spreadsheets (Profit1,
7 Optimization 91
Profit2, and Profit3) contained in the interface let you easily set up profit
functions of the following form:
Profit = F1 * (V1 + (IP1_1 BV1_1)*IV1_1 + (IP2_1
BV2_1)*IV2_1 +
(IP3_1 BV3_1)*IV3_1) + F2 * (V2 + (IP1_2 BV1_2)*IV2_1 +
(IP2_2 BV2_2)*IV2_2 + (IP3_2 BV3_2)*IV3_2) +
Where:
F1 and F2 represent some principal properties to which values (V1 and V2)
are attached. For example:
- Let F1 represent the product diesel flow rate
- Let V1 the value of the diesel
- Let F2 represent the light naphtha flow rate
- Let V2 the value of the light naphtha
IP1_1, IP1_2, and IP1_3 represent incremental properties that can change
the value of F1. In the example, if F1 is considered to be the diesel flow rate:
- IP1_1 might be the cetane index
- IP1_2 might be the pour point
- IP1_3 might be the sulfur content
BV1_1, BV1_2, and BV1_3 are the base values of cetane index, pour point
and sulfur content.
The difference between the calculated value and base value for each
incremental property is then multiplied by the corresponding values (IV1_1,
IV2_1, and IV3_1). For example, if the base value of cetane index (BV1_1)
is 40:
- The calculated value (IP1_1) is 41.
- The value IV1_1 is 0.25.
- The value of diesel (V1) is increased by 0.25.
You can specify as many principal properties as you want. You can specify
from zero to three incremental properties for each principal property.
Setting up objective functions involves two steps:
- Selecting variables for the principal properties you are interested in
- Selecting incremental properties for those variables
- Entering data for the properties on the ProfitX worksheet
To Set Up a Specific Objective Function (For example
Profit 1):
1 On the main menu, click Aspen Plus Hydrocracker | Setup Cases.
2 On the submenu, click Profit 1.
The Add Variables to Objective Functions dialog appears:
92 7 Optimization
Any variable in this list is marked Yes in Column AB (with the title Profit 1
Selected) on the ReceiveVars page. The default list includes most product
streams and feed streams that can be used in a profit function. You can add
variables to this list by putting Yes in Column AB on the ReceiveVars page
for the desired variables.
3 Select or deselect variables to be included in the computation of the
objective function. To select a variable, check the box to the left of the
variable. To deselect a variable, clear the box to the left of the variable.
4 For each variable to which you want to add an incremental, click the
variable.
The Add Properties to the Selected Product appears.
5 Check up to three properties to be added to the variable you selected.
6 Click the OK button to add properties to the variable (they will also appear
on the Profit1 worksheet).
or-
Click the Cancel button to abort the adding and deleting of properties to
the variable.
You are returned to the Add Variables to Objective Functions dialog.
7 When you are finished adding variables and incrementals to the objective
variable:
Click the OK button to add the checked (and delete the cleared) variables
from the Profit1 worksheet.
or-
Click the Cancel button to abort the adding and deleting of variables for
the objective function.
7 Optimization 93
Entering Data About Properties on the ProfitX Worksheet:
After you have selected the all the principal properties and incremental
properties that comprise the objective function, they will appear on the
ProfitX (Profit1 in the example) worksheet. You must now enter values for
each principal property and each incremental property.
Entering Data About Principal Properties:
For all principal property variables:
Description Column
variable name C
units of the variable D
price unit G
Each principal property occupies one row. Only one value is needed for each
principal property.
You must enter the appropriate price value in Column E. In the example
shown, all flow rates are in thousands of barrels per day. Therefore, the
values are entered as dollars per thousands of barrels.
If you select a unitless variable for the objective function, such as
conversion, the value is also unitless.
If the principal property is a cost (such as feed value), the value would be
negative.
94 7 Optimization
Entering Data About Incremental Properties:
The incremental properties are listed to the right of the principal properties on
the ProfitX (here, Profit1) worksheet. For all incremental property variables,
the variable name appears in Column H. Each incremental property is in the
same row of the principal property that the incremental property is associated
with. In the example shown, the incremental property, Hydrocarbon of
aromatic in the bottom of the main fractionator, is in Row 17, the row of
its corresponding principal property, Debutanizer bottom flow.
Two values are needed for each incremental property:
- Base
- Price
The base value is the value at which the incremental property has no effect
on the principal property. For example, the value of $10,000/MLBPH is the
value of the debutanizer bottom stream with a Aromatics of 30 in the
example shown.
The price value is the amount of cost. In the example, each increase of 1
Aromatic raises the cost by $1. All incremental properties are either unitless
or have a fixed unit type such as weight percent sulfur. Penalty or bonus is
calculated by multiplying the deviation from the base value and the price of
unit deviation.
To identify each incremental property, you can assign a label for each
incremental property. You can enter the label in Column G. In the example,
the label Octane BBL is entered for RDON of light naphtha as well as for
RDON of heavy naphtha. If a principal property has more than one
incremental property, the second and the third one lie to further right on the
same row. The entry for the second and the third incremental properties is
similar to that for the first incremental property.
7 Optimization 95
To identify each incremental property, you can enter a label for each
incremental property in Column G.
Follow the same procedure to set up objective functions of Profit2 and
Profit3.
The location of marking on the ReceiveVars page and the SendVars page
can be different. You should be able to find corresponding columns by looking
at the column titles on those two pages. In order to save the changes made
to the objective function pages, the worksheet must be saved.
Any variable in this list has a name in Column AE (with title I1 name) on the
ReceiveVars page. The label, base, and price of the incremental property are
list in Column AF to AH on the ReceiveVars page. The default list includes
most of important product properties. You can add variables to this list by
editing Column AE through AH on ReceiveVars for the desired variables.
Setting Up An Optimization
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
example, 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 the Const
specification in the model are included in independent variable list. Only those
variables that can be manipulated in the Hydrocracker unit will appear. Those
variables are identified by Opt in Column R (with title Opt) on the SendVars
page.
96 7 Optimization
The default list of independent variables should be able to handle most
optimization runs. If you want to use other variables as independent
variables, manually set up those variables on the SendVars page.
After a variable is selected on the independent list, the corresponding Column
V (with title Opt Select) on the SendVars page is marked YES for this
variable. When solving the optimization case, the variable is sent to
Command Line with Optim specification. However, the SendVars page 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 Hydrocracker
units appear in the list. Those variables are identified by Opt in Column R
(with title Opt) the SendVars page. The default list of dependent variables
represents all constraints commonly met in HYCU operation.
If you have a particular constraint that is not represented by any variable on
the list, manually set up those variables on the SendVars page.
After a variable is selected on the dependent list, the corresponding Column Y
(with the title Opt Select) on the SendVars page is marked YES for this
variable.
Aspen Plus Hydrocracker presents only CONST variables in the pick list of
independent variable and only CALC and MEAS variables in the pick list of
dependent variables in order to ensure that whatever set you choose will lead
to a well-posed problem.
To Set Up An Optimization:
2 On the submenu, select Optimization.
This activates the Optimize worksheet, and opens the Setup Optimization
Case dialog from which you can select:
- The desired independent variables (extra degrees of freedom).
- The dependent constraint variables.
3 Click the check box to the right of the variable name to select a variable.
-or-
Click the check box to the right of a selected variable name to deselect a
variable.
7 Optimization 97
4 When the independent variables and the dependent constraint variables
have been selected, click the OK button to complete the setup.
-or-
Click the Cancel button to close the dialog box without making any
changes to the optimization problem.
The selected variables and their current values will then appear on the
Optimize spreadsheet. After you set up an optimization, a message box
appears 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, you should then input lower and upper bounds in Columns C and F
by the appropriate variables. You can also input step bounds for the
independent variables in Column G.
The optimization is now ready to solve. To save the changes made to the
Optimize pages, the worksheet must be saved.
98 7 Optimization
Executing Optimization Cases
To Solve The Optimization:
1 On the AspenPlusHYC toolbar, select the Optimize option; then click the
play button.
The Select Objective Function dialog appears.
2 On the Select Objective Function dialog, select an active objective
function. You can select only one active objective function.
7 Optimization 99
3 Select the direction of the optimization by selecting maximizing or
minimizing function.
- If the objective function is set up as a profit function, the user should
select Max.
- If the objective function is set up as a cost function, the user should
select Min.
4 Select the profit reports to update. Normally only the active objective
function is selected.
5 Click the OK button to complete the setup.
-or-
Click the Cancel button to close the dialog box and return to the
Optimize worksheet.
If you clicked the OK button, the data from the optimization spreadsheet is
sent to the model, and the command line dialog box opens.
To Change The Behavior Of The DMO Solver:
You can change the behavior of the DMO solver by selecting one of the three
buttons at the bottom of the command window. Your selection takes effect at
the start of the next DMO iteration.
Button Action
Abort forces the model to quit solving
No Creep takes the DMO solver out of creep mode. This is used 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 the convergence criteria.
Close Residuals causes 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.
Close This button is unavailable during the optimization run. It is
100 7 Optimization
Button Action
only activated when no run is being executed. Click the
Close button to 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, the Optimize page, and the 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 is highlighted in red.
A typical optimization takes three to five minutes, but this could be higher or
lower depending on how difficult it is to reach a solution.
Analyzing Optimization
Solutions
There is one profit report worksheet (Profit1Report, Profit2Report,
Profit3Report) for each objective function.
The profit report worksheet is designed to show the change between the
starting point and the optimization solution. All the principal properties and
incremental properties used in the corresponding objective function are listed
in Column A of the worksheet.
Each property occupies one row. The incremental properties of a specific
principal property occupy the rows below the row of related principal
property. The rates, prices, and case flow are listed to the right of the
principal properties and incremental properties in a profit report worksheet.
7 Optimization 101
On the worksheet you can see clearly how each property contributes to the
objective function in terms of case flow for both the starting point and
optimization solution. You can also observe how the optimizer adjusts the
values of properties to maximize the profit.
You can further analyze the optimization results by comparing it to the
engineering knowledge of Hydrocracker operation. For example, suppose the
Hydrocracker unit is operated in a Gasoline Mode. You will probably assign a
high value to gasoline. You expect to see gasoline production maximized, and
so the riser outlet temperature is increased from its initial value.
In another case if the Hydrocracker unit is operated in Heating Oil Mode,
and heating oil is assigned a higher value than gasoline, you would expect to
see the Hydrocracker maximize heating oil production. In this case, the riser
outlet temperature might not reach the upper limit.
You can also examine the Optimize worksheet to see if any independent or
dependent variable is at its limit. Normally at least one independent variable
or dependent variable is at its bound in the optimization solution. For
example, the riser temperature or the wet gas rate might hit its upper bound
in the example of Gasoline Mode.
102 8 LP Vectors
8 LP Vectors
Overview Generating LP
Vectors
In addition to letting you determine yields, temperatures, product properties,
and so on, the Aspen Plus Hydrocracker offers the capability of generating
LP (Linear Programming) vectors.
Purpose of Running LP Vectors
The main purpose of generating LP vectors is to provide shift factors for an LP
planning and scheduling tool, such as PIMS
TM
.
In LP planning and scheduling tool for refining industry, every processing unit
is represented by a simplified linear model. Like all linear models, a HYCU LP
model uses fixed gains (base model and shift factors) to represent the
relationship between operating conditions and product flow rates and
properties.
This table shows part of a Hydrocracker model in PIMS
TM
.
The model gains at three different riser temperatures are listed in Columns F,
G, and H. Those gains represent the conversion of one unit feed to various
light gas products.
8 LP Vectors 103
When feeds to HYCU change, you should change those conversion factors.
The shift factors are listed in Columns I to L.
Each shift factor represents the amount of change on conversion when a feed
property changes one unit. For example, the shift factor between K factor
vs. C3 is 0.0046 at the riser temperature of 970 F.
This means that the C3 conversion will increase by 0.0046 for a one unit
increase in feed K factor. There are also shift factors for 980 F and 990 F.
Those shift factors greatly affect the accuracy of LP solution. For a highly
nonlinear reaction process such as HYCU, shift factors can only be accurately
estimated by a rigorous nonlinear model.
The standard Aspen Plus Hydrocracker model is a rigorous nonlinear model
with detailed kinetic description. It is well suited to provide accurate shift
factors. The Aspen Plus Hydrocracker model has build-in function of
generating LP vectors, which are equal to the shift factors in a LP model.
The LP vectors can also act as the accuracy indicator of the Aspen Plus
Hydrocracker model. The LP vectors can be compared to gain matrix in APC
(Advanced Process Controller). The gain matrix in APC is obtained from plant
step tests. It should closely represent the real relationship between
independent variables and dependent variables in the process. By comparing
to gain matrix in APC model, you can observe how closely the model
represents the process. The comparison can also pinpoint what part of the
model needs further tuning.
LP Vector Generation
From the model point of view, LP vectors are the gains between a set of
independent variables and a set of dependent variables. LP vectors are
calculated by doing a sensitivity analysis on the model. In the Aspen Plus
Hydrocracker model, LP vector generation is executed by issuing a sensitivity
analysis command to the command line and retrieving the results back to the
EXCEL interface.
LP vector generation is run in Simulation mode. The independent and
dependent variables you choose for LP vector generation must correspond to
fixed and free variables in the simulation mode.
The fixed variable in simulation mode has the specification of CONST or
PARAM. However, the PARAM variables are normally internal to the model
and have no physical meaning. Therefore, they do not appear in the set of
independent variables in LP generation. All independent variables have the
specification of CONST.
The free variable in Simulation mode has the specification of CALC or
MEAS. Therefore, a dependent variable has the specification of CALC or
MEAS.
Aspen Plus Hydrocracker provides you a pick list of:
- Independent variables.
- Dependent variables.
104 8 LP Vectors
Aspen Plus Hydrocracker presents only CONST variables in the pick list of
independent variables and only CALC and MEAS variables in the pick list of
dependent variables in order to ensure that whatever set you choose will
lead to a well-posed problem.
The two lists that Aspen Plus Hydrocracker model provide should be able to
satisfy most cases. However, you can add variables to those two lists if
necessary.
Any variable in the independent variable list is marked LP in Column Q (with
title LP) on the SendVars page.
You can add variables to this list by enter Yes in Column Q on the SendVars
page for the desired independent variables. Any variable in the dependent
variable list is marked "LP" in Column Q (with the title LP) on the
ReceiveVars page. You can add variables to this list by entering Yes in
Column Q on the ReceiveVars page for the desired dependent variables.
Generating LP Vectors
Generating LP vectors is a two-step process.
1 You must first specify what the independent and the dependent variables
are.
2 You then run the LP vector generation command.
To Specify The LP Vectors:
2 On the submenu, select Vectors.
The LP Vectors spreadsheet is activated and the Setup LP Vectors dialog
box appears on which you can specify the independent and dependent
variables.
8 LP Vectors 105
The top list box is used to select the independent variables. You can select
any or all of the variables listed.
3 Click the check box to the right of the variable name to select a variable.
-or-
Click the check box to the right of a selected variable name to deselect a
variable.
The lower list box is used to select the dependent variables. It works exactly
like the independent variable list box.
4 When the independent variables and the dependent constraint variables
have been selected, click the OK button to complete the setup.
-or-
Click the Cancel button to close the dialog box without making any
changes to the LP Vectors page.
If you click the OK button, the LP Vectors" page is be cleared and the
independent variables appear in the seventh row and the dependent variables
appear in Column C.
In order to save the changes made to the LP Vectors page, the worksheet
must be saved.
Below is the LP Vectors Sheet after setup.
106 8 LP Vectors
5 After the independent and dependent variables have been set up,
generate LP vectors by selecting LP Vectors from the AspenPlusHYC
toolbar, and then selecting the play button.
The model will then calculate the Jacobian for the model and retrieve all of
the desired vectors into the LP Vectors page.
Below is the LP Vectors Worksheet after running a LP Vectors case.
8 LP Vectors 107
The command line dialog box will open for a short time while the Jacobian is
being evaluated and while the LP vectors are being calculated. You cannot
issue any commands to the command line dialog box at this time, however.
Typical execution time is about 20 seconds, although it can be more or less
depending on how many values are being retrieved.
108 9 Reaction Kinetics Details
9 Reaction Kinetics Details
Overview
The Aspen Plus Hydrocracker/Hydrotreater model is derived from a model
developed by Sun Oil Company. The components and reaction networks are
consistent with fundamental research conducted at the University of
Delaware, the University of Utah, and other academic and industrial research
institutions. This section provides details of the reaction model.
Component Slate
The component slate chosen to represent the feed and the product streams of
the Aspen Plus Hydrocracker/Hydrotreater plant comprises 116 components
covering the full range from hydrogen to hydrocarbons, with 47 carbon
components (B.P. 1300 C).
The component slate varies in different sub-plants. Component mappers are
used to connect adjacent sub-plants. Using different component slates helps
to reduce the number of variables in the sub-plant.
In the reactor model, the olefins components are assumed to be completely
saturated. Table A below shows the corresponding components in the reactor
model. The total number of components in the reactor model is 97.
Table B below shows the corresponding olefin components in the feed but not
in the reactor model.
The light ends are defined using discrete components through C3. For C4 to
C10 hydrocarbons, one pure component is used to represent several isomers.
For example, the n-butane represents both n-butane and iso-butane. For
higher boiling point components, only compounds with carbon number 14, 18,
26, and 47 are used to represent wide range of boiling point components.
The components also cover different classes of hydrocarbons, which include
one-ring naphthenes to 4-ring aromatics.
The sulfur compounds are separated into 8 groups of 13 components which
include:
- Thiophenes.
- Sulfides.
9 Reaction Kinetics Details 109
- Benzothiophenes.
- Tetrahydro-benzothiophenes.
- Dibenzothiophenes.
- Tetrahydro-dibenzothiophenes.
- Naphthabenzothiophenes.
- Tetrahydro-naphthabenzothiophenes.
The nitrogen compounds are represented by 10 lumps which include both
basic and non-basic nitrogen compounds.
Table A- Component Slate for Hydrocracker Model in
Reactor
Component Formula Abbreviation Class
Nitrogen N2 N2
Ammonia NH3 NH3
Hydrogen Sulfide H2S H2S
Hydrogen H2 H2
Paraffins
Methane CH4 C1 CnH2n+2
Ethane C2H6 C2
Propane C3H8 C3
N-Butane C4H10_2 C4
N-pentane C5H12_2 C5
2,3-dimethylbutane C6H14_2 C6P
2,3-dimethylpentane C7H16_5 C7P
2,3-dimethylhexane C8H18_6 C8P
2,6-dimethylheptane C9H20_4 C9P
2,5-dimethyloctane C10H22-1 C10P
n-tetradecane C14H30 C14P
n-octadecane C18H38 C18P
Tetracosane C26H54 C26P
C47 Paraffins C47H96 C47P
Naphthenes
Methylcyclopentane C6H12-2 C6N CnH2n
Methylcyclohexane C7H14-6 C7N
Cyclohexane, 1,4-dimethyl C8H16-7 C8N
1-trans-3,5-trimethylcyclohexane C9H18-1 C9N
C14-1-ring-cycloheaxane C14H28 MN1Lo
C18-1-ring-cycloheaxane C18H36 MN1Hi
C21-1-ring-cycloheaxane C21H42 HN1
C47-1-ring-cycloheaxane C47H94 VN1
Trans-decaline (two Ring) C10H18-2 C10N CnH2n-2
C14-2-ring-cyclohexane C14H26 MN2LO
C18-2-ring-cycloheaxane C18H34 MN2HI
C14-3-ring-cyclohexane C14H24 MN3Lo CnH2n-4
C18-3-ring-cycloheaxane C18H32 MN3Hi
C21-4-ring-cycloheaxane C21H36 HN4 CnH2n-6
Aromatics
Benzene C6H6 C6A CnH2n-6
Toluene C7H8 C7A
Para Xylene C8H10_3 C8A
2-methyl-3-ethylbenzene C8H12-3 C9A
1,2,3,4,-tetrahydronaphthalene C10H12 C10A
n-octylbenzene C14H22 MA1Lo
C18-1ring-Arom C18H30 MA1Hi
C21-1ring-Arom C21H36 HA1
C47-1ring-Arom C47H88 VA1
C14-tetrahydronaphthalene C14H20 MANLo CnH2n-8
C18-tetrahydronaphthalene C18H28 MANHi
C21-tetrahydronaphthalene C21H34 HAN
C47-tetrahydronaphthalene C47H86 VAN
C14-naphthalene C14H16 MA2Lo CnH2n-12
C18-naphthalene C18H24 MA2Hi
C21-naphthalene C21H30 HA2
C47-naphthalene C47H82 VA2
C14-1
ring-Arom-2-ring Naphthene
C14H18 MAN2Lo CnH2n-10
C18-1
C18H26 MAN2Hi
C21-1
C21H32 HAN2
C47-1
C47H32 VAN2
C14-2
C14H14 MA2NLO CnH2n-14
C18-2
C18H22 MA2NHi
C21-2
C21H28 HA2N
C47-2
C47H80 VA2N
C21-3ring-Arom C21H24 HA3 CnH2n-18
Fluorene, 9-methyl C14H12 MANALo CnH2n-16
C18H20 MANAHi
C21H26 HANA
C47H78 VANA
C21-4ring-Arom C21H18 HA4 CnH2n-24
C21-1
C21H30 HAN3 CnH2n-12
C47-1
C47H82 VAN3
C21-2
C21H24 HA2N2 CnH2n-18
C47-2
C47H76 VA2N2
Sulfur Component
Thiophene C4H4S LTH
C8-Cyclo-sulfide C8H16S LS8
C12-Cyclo-sulfide C12H24S MS12
C28-Cyclo-sulfide C28H56S HS28
Benzothiophene C8H6S LTHA
Benzothiophene, dimethyl- C10H10S MTHA
C10-tetarhydro-benzothiophene C10H12S MTHN
C14-trtrahydro-dibenzothiophene C14H16S MTHAN
C21-trtrahydro-dibenzothiophene C21H30S HthAN
C14- dibenzothiophene C14H12S MthA2
C21- dibenzothiophene C21H26S HthA2
C47-tetrahydro-
naphthabenzothiophene
C47H84S VthA2N
C47-naphthabenzothiophene C47H72S2 VTHA3
Nitrogen Component
Pyrrolidine (non-basic Nitrogen) C4H9N LBNit
Pyrrole (basic nitrogen) C4H5N LNNit
Quinoline,
1,2,3,4-tetrahydro- (non-basic)
C9H11N MBNITN
Quinoline (basic) C9H7N MBNITA
C9H9N MNNitA
Phenanthridine, tetrahydro- C21H33N HBNitAN
Phenanthridine C21H25N MBNitA2
Carbazole, dimethyl- C21H27N MNNitA2
C35H55N VBNitA2N
C47H73N VNNitA3
Table B: Component Slate for Hydrocracker Model Only in
the Feed
C6H12 C6-olef
C7H14 C7-olef
C8H16 C8_OLEF
Cumene C8H8 C8A_OLEF
C10H20 C10_OLEF
C10H16 C10N_OLE
C10H10 C10A_OLE
C14H28 C14_OLEF
C14H26 MN1Lo_OL
C14H20 MA1Lo_OL
C18H36 C18_OLEF
C18H34 MN1Hi_OL
C18H28 MA1Hi_OL
C21H40 HN1_OLEF
C21H34 HA1_OLEF
C26H52 C26_OLEF
C47H94 C47_OLEF
C47H92 VN1_OLEF
C47H86 VA1_OLEF
Kinetic Framework
In Aspen Plus Hydrocracker/Hydrotreater, each catalyst bed is modeled as a
separate reactor. The reaction mechanism is coded in Aspen Reactors, an
open-equation modeling platform in which kinetic constituents are segregated
from hydraulic and heat balance relationships. This segregation permits
different kinetic schemes to be implemented within the same mechanical
framework.
Rate equations are based on the Langmuir-Hinshelwood (adsorption-
adsorption/reaction/ desorption) mechanism. H2S inhibits HDS reactions, and
both NH3 and organic nitrogen inhibit acid-catalyzed reactions.
Trickle-bed hydrodynamics are modeled with equations described by
Satterfield. Collocated reaction rates and collocated flashes enhance the
ability of the model to calculate heat release accurately.
Reaction Pathways
Aspen Plus Hydrocracker and Aspen Plus Hydrotreater model the following
reaction types:
- Hydrodesulfurization (HDS)
- Hydrodenitrogenation (HDN)
- Saturation of aromatics (Hydrogenation)
- Ring opening
- Ring dealkylation
- Paraffin hydrocracking
- Saturation of olefins
When required, hydrodemetalization (HDM) is modeled with a relatively
simple extent-of-reaction block.
The Aspen Plus Hydrocracker/Hydrotreater reaction scheme has the following
important characteristics:
- 45 reversible aromatics saturation reactions
- 19 irreversible olefins saturation reactions
- Saturation and dealkylation of non-basic nitrogen lumps
- Dealkylation and HDN for basic nitrogen lumps
- Saturation and dealkylation for hindered sulfur lumps
- Dealkylation and HDS for unhindered sulfur lumps
Figure A-1 shows the importance of modeling aromatics saturation reversibly.
Above a certain temperature, equilibrium effects start to outweigh kinetic
effects, and additional saturation becomes difficult. This temperature-
dependent aromatics crossover causes the degradation of middle distillate
properties kerosene smoke point and diesel cetane near the end of
Hydrocracker catalyst cycles.
Figure A-2 illustrates the importance of including both hindered and
unhindered sulfur components in the reaction scheme. As discussed in recent
publications (15-16), aliphatic sulfur compounds are relatively easy to remove
with hydroprocessing; thiophenes, benzothiophenes and dibenzopthiopenes
are somewhat more difficult; and substituted benzo- and dibenzothiophenes
are very hard to remove. Ref. 15 refers to the Direct Mechanism for the
hydrodesulfurization of dibenzothiophene:
- Dibenzothiophene adsorbs to the catalyst surface
- The catalyst abstracts sulfur
- Biphenyl desorbs from the catalyst surface
- Hydrogen removes sulfur from the catalyst as H2S
Alkyl substitution of dibenzothiophene at the 4-position, the 6-postion or
both sterically hinders this pathway. Before these hindered molecules can
be desulfurized, they must first be saturated (which converts a planar
aromatic ring into a more flexible saturated ring) or dealkylated.
As shown in Figure B below, the Aspen Plus Hydrocracker/Hydrotreater
reaction scheme prohibits direct desulfurization of 4,6-alkyl
dibenzothiophenes. Figure C below reflects this feature of the models. As the
extent of desulfurization increases, hydrogen consumption rises
geometrically, in part because the model requires alternative HDS pathways
for substituted dibenzothiophenes, and in part because, at the higher required
temperatures, other saturation and cracking reactions are accelerated.
Figure A: Aspen Plus Hydrocracker Case Study Showing
Aromatics Crossover
Figure B: Reaction Pathway Illustration: Sulfur-Containing
Components
Figure C: Aspen Plus Hydrocracker Case Study: H2
Consumption vs. Product Sulfur
116 10 Simplified Separation Model
10 Simplified Separation
Model
Simplified Separation Model
Aspen Plus Hydrocracker applies a simplified separation model to model the
fractionation section. The separation status varies significantly between
specific plants due to differences in product specifications, operating
conditions, and flowsheeting. Therefore, this simplified model uses a set of
variables that you can tune to make the products your quality and yields.
The concept behind the simplified fractionator model is that the logarithm of
the ratio of a component (flow not fraction) in distillate to bottoms
(Ln(Di/Bi),) when plotted over temperature (the boiling point, TBi) of that
component, yields a straight line; that is, a more or less linear relationship as
shown in the figure below.
10 Simplified Separation Model 117
The model is a collection of interpolation and calculator models that calculate
the split fraction of a certain component based on:
- The effective cut point.
- The components normal boiling point.
The model interpolates a value of Ln(Di/Bi) for a given TBi. Usually, the
model is configured with three points representing the two straight lines
around the effective cut point
Where:
Ln(Di/Bi) = 0
118 10 Simplified Separation Model
meaning a 50% split of the component between top and bottom streams.
However, to protect from model singularities, two more points are defined at
the extremes (one at each end). These points are chosen based on the test
run data and remain fixed for daily operation.
Index 119
Index
A
Abort button 31
Advanced Process Controller 103
APC 103
API Gravity 59
Aspen Plus 3, 4
Aspen Plus Connection
Resetting 14
Aspen Plus Hydrocracker 3
Engine 4
Exiting 15
Simulation Strategy 71
Starting 13
Starting for the first time 11
AspenTech 3
ATSLV File Problem Information 46
B
Bounds 50
Specifying 89, 90
C
Catalyst Properties/Data 67
Close button 31
Close Residuals button 31
Command Line window 30, 31
Manual Access 32
Command Window
EO Solver Output 44
Component Slate 108
Computer Name 12, 34
Connect Dialog Box 34
Connection to Hydrocracker
flowsheet
Establishing 12
Constrained Variables 47
D
Data About Incremental Properties
94
Data About Principal Properties 93
Data About Properties 93
Data Files 16
Loading 17
Saving 16
DCOM 3, 4
DCS 58
Degrees-of-Freedom 6, 8, 9
Detailed Parameterization 69
Development Tools submenu 39
Display Command Line 4, 71
DMO 3, 42, 50
DMO Solver
Changing Behavior 99
DOF 6, 8, 9
DP 8
E
EB Scripts 9
Commonly-Used 73
ECP variables 78
EO Modeling 4
EO Solver 42
algorithm 43
changing parameters 43
log files 46
output to the command window
44
Parameters 44
Equation-oriented See EO
Error Recovery 83
Parameterization 84
Excel 11, 13, 15
Excel Interface 15
120 Index
Exit Aspen Plus Hydrocracker 14,
40
F
Feed Adjuster
Model 21
tuning 78
Feed Analysis 58
Feed Property Tuning 78
FEED Section 73
Feed Specification Change 82
Feed Stream Model 20
Feed System 20
Feeds Button 24
Feedstocks 3
File submenu 36
Flow Diagram Sheet 20, 23, 24,
25, 26, 27, 28
buttons 22
Flowsheet 11
Changes 80
Fractionator
hydrocracker 64
G
Generating LP Vectors 103
H
H2 Balance Button 27
H2 Streams Button 27
HDS 113
Help submenu 40
Hidden Worksheets 29
Viewing 28
HTR Button 26
Hydrocracker Flowsheet
Loading 11
Hydrodemetalization 113
I
Independent Variables 50, 89
Infeasible Solutions 50
Iterations
objective function value 47
status information 48
K
Key Operating Data 66
Kinetic Framework 113
L
Largest Unscaled Residuals 47
Load Case Data 37
Load Hydrocracker Flowsheet 33
Load User Input Sheet 37
Loading Data Files 17
LP factors 103
LP Vectors 102
generating 103
M
Measurements 8
Microsoft Excel 3
Model CONST specifications 73
Model Parameterization 55
Model Running Mode
Alternatives 78
Model Specifications 6
Model Tuning Facts 77
Modes 7, 8
Multi-Mode Specifications 8
N
No Creep button 31
Nonlinearity Ratio 49
Notes on Variable Bounding 54
O
Objective Functions
setting up 90, 91
Olefins Reactor Models 21
Optimization 9, 89
analyzing solutions 100
bounds 95
executing cases 98
variables 95
Overall Plant Material Balance
Sheet
Tuning Runs 61
P
Parameterization Case 67
Running 67
Index 121
Parameters 8
PML 3
Pressure Drop Model Example 5
Pricing Information 67
Process Details 7
Process Model Library 3
Process Overview Button 23
Process Specification 58
Strategy 58
Product Analysis 58
Product Properties 55
Q
QP 48
R
R1 Button 25
R2 Button 25
Reaction Pathways 113
Reaction Rate Tuning Strategy 77
Reaction Section 21
Changing 80
Reactor Bed Models 21
Reactor Profiles button 23
Reconciliation Cases 69
Recycle Stream Data 67
Reset ApMain 14
Run Cases submenu 38
Running Multiple Cases 86
Run-Time Intervention 54
RXN Section 74
S
Save Case Data 37
Save to Prior Button 26
Save User Data to File dialog 16
Save User Input Sheet 37
Saving Data Files 16
Scaling 52
Scripts See EB Scripts
Second Reactor 80
Turning Off 80
Select Spec.Options dialog 24
Separation Model Tuning 78
Separation Section 22
Changing 81
Sequential-Modular 4
Setup Cases submenu 38
Setup Optimization Case dialog 95
Simple Parameterization 69
Simplified Separation Model 63,
116
Simulation 71
Simulation Case 82
Singularities 52
SM 5
Specification Options 9
Specification Options button 24
Specifications 9
Changing 9, 24
on Flow Diagram sheet 57
SQP 42
Starting Aspen Plus Hydrocracker
13
for the first time 11
Startup Aspen Plus Hydrocracker
submenu 14, 33
Startup Options 35
Step Bounds
Setting 90
Successive Quadratic Programming
42
T
Tools submenu 39
U
Unit Mechanical Data 67
Usage Notes 49
V
VBA 3
Viewing the model 57
W
Worksheets 19
Y
Yields Button 28

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