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Aspen Hydrotreater
2004.1 User Guide
Version 2004.1
April 2005
Copyright (c) 1981-2005 by Aspen Technology, Inc. All rights reserved.
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Phone: (1) (617) 949-1000
Fax: (1) (617) 949-1030
URL: http://www.aspentech.com
Contents
Introduction 1-1
Hydrotreater Overview .................................................................................................... 1-1
Online Technical Support Center..................................................................................... 1-1
Phone and E-mail............................................................................................................. 1-2
Introduction to Aspen HYT ............................................................................................. 1-3
The Aspen HYT Engine................................................................................................... 1-3
Equation-Oriented Modeling ........................................................................................... 1-4
Pressure Drop Model Example ........................................................................................ 1-5
Model Specifications and Degrees-of-Freedom .............................................................. 1-5
Modes and Multi-Mode Specifications............................................................................ 1-7
Measurements and Parameters......................................................................................... 1-7
Changing Specifications with Specification Options ...................................................... 1-8
Optimization .................................................................................................................... 1-9
Simulation 6-1
Introduction to Simulation ............................................................................................... 6-1
AspenHYT Simulation Strategy ...................................................................................... 6-1
Commonly-Used Scripts in the EB Script Language ...................................................... 6-3
AspenHYT Variable Specifications................................................................................. 6-3
Model CONST Specifications ............................................................................. 6-3
FEED Section................................................................................................. 6-3
RXN Section - Operating............................................................................... 6-4
RXN Section - Kinetics ................................................................................. 6-5
PRODSP Section ......................................................................................... 6-10
Model Tuning Facts with Specifications ........................................................... 6-11
Model Tuning Facts with Specifications-Introduction ................................ 6-11
Reaction Rate Tuning Strategy .................................................................... 6-11
Feed Property Tuning .................................................................................. 6-11
Separation Model Tuning ............................................................................ 6-12
Alternatives to Model Running Mode ......................................................... 6-12
Flow Sheet Changes........................................................................................... 6-14
Flow Sheet Changes - Introduction.............................................................. 6-14
Reaction Section Change ............................................................................. 6-14
Separation Section Change .......................................................................... 6-15
Feed Specification Change .......................................................................... 6-16
Running a Simulation Case................................................................................ 6-16
Introduction.................................................................................................. 6-16
Optimization 8-1
Optimization Basics ......................................................................................................... 8-1
Setting Up Objective Functions ....................................................................................... 8-3
Setting Up An Optimization ............................................................................................ 8-9
Executing Optimization Cases....................................................................................... 8-12
Analyzing Optimization Solutions................................................................................. 8-14
LP Vectors 9-1
Overview.......................................................................................................................... 9-1
Purpose of Running LP Vectors ...................................................................................... 9-1
LP Vector Generation ...................................................................................................... 9-2
Index 11-1
Introduction
Hydrotreater Overview
Aspen Hydrotreater is a simulation system for monitoring,
planning, and optimizing hydrocracking and hydrotreating units.
Aspen Hydrotreater is a member of the AspenTech new generation
of refinery reactor models. Aspen Hydrotreater accurately predicts
yields and product properties for widely different feedstocks and
operating conditions. An Aspen Hydrotreater flowsheet simulates
all sections of the hydrotreating unit. It can include simplified or
vigorous fractionation models.
Equation-Oriented Modeling
Aspen HYT 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 variable’s 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.
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.
4 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.
To Do This:
• Click Saving Data Files
• User Scripts
Click the appropriate tab; then click the Select button.
Run a Param automatically refreshes the ParamData sheet when
case the data is passed back to the spreadsheet from the
solver
Reactor Profiles Button On the Flow Diagram Sheet, click the Reactor Profiles button to
view the Reactor Profiles sheet 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.
Feeds Button On the Flow Diagram Sheet, click the Feeds button to view the
Feeds section of the Process Detail sheet as shown below.
R2 Button On the Flow Diagram Sheet, click the R2 button to view the
Reactor 2 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:
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.
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
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 doesn’t
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.
Aspen Hydrotreater User Guide Working With The Equation-Oriented Solver • 4-1
optimization problem that DMO solves can be expressed as
follows:
Minimize f(x)
Subject to c(x) = 0
xmin ≤ x ≤ xmax
Where:
4-2 • Working With The Equation-Oriented Solver Aspen Hydrotreater User Guide
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.
Aspen Hydrotreater User Guide Working With The Equation-Oriented Solver • 4-3
EO Solver Output to the Command
Window
During each solution, the following iteration log is sent to the
command window:
4-4 • Working With The Equation-Oriented Solver Aspen Hydrotreater User Guide
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.
Aspen Hydrotreater User Guide Working With The Equation-Oriented Solver • 4-5
ATSLV Details
Basic Iteration At each iteration, the following header is printed:
Information
This shows the iteration number and the value of the objective
function.
Largest Unscaled This section shows the largest unscaled residuals. A similar section
Residuals 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.
4-6 • Working With The Equation-Oriented Solver Aspen Hydrotreater User Guide
Constrained This section shows the variables that lie on their bounds. This is
Variables only meaningful in a degrees of freedom mode (optimization for
Aspen HYT).
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.
Aspen Hydrotreater User Guide Working With The Equation-Oriented Solver • 4-7
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 This section appears after the residual output:
Information
4-8 • Working With The Equation-Oriented Solver Aspen Hydrotreater User Guide
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 2004.1 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.
Aspen Hydrotreater User Guide Working With The Equation-Oriented Solver • 4-9
Most of the dependent variables in the HYT 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 HYT 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 HYT
model is the DMO solver.
Independent Variables Independent variables are variables whose values can be changed
independently, for example, the feed rate in the HYT 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 These often occur during optimization cases where it is not
Infeasible Solutions 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
4-10 • Working With The Equation-Oriented Solver Aspen Hydrotreater User Guide
Iteration Function Function Value Ratio Model
Ratio
--------- ----------- ----------- ---------- ------------ -------
------------
Warning ... QP slack variable = 2.29070D-01
Warning ... QP slack variable = 2.29070D-01
0 9.312D-04 4.809D-03 -2.779D+00 9.968D-01 C2S
-2.834D-01
Warning ... QP slack variable = 1.80624D-01
Warning ... QP slack variable = 1.80624D-01
1 5.244D-04 4.667D-02 -2.792D+00 2.900D-01 C2S
-1.846D+02
Warning ... QP slack variable = 1.44771D-01
Warning ... QP slack variable = 1.44771D-01
2 1.552D-02 5.479D-02 -2.922D+00 -7.475D-01 C2S
-1.540D+01
Warning ... QP slack variable = 6.09502D-01
Warning ... QP slack variable = 6.09502D-01
3 3.853D-02 2.379D-03 -3.083D+00 9.908D-01 C2S
9.914D-01
Warning ... QP slack variable = 1.87163D-01
Warning ... QP slack variable = 1.87163D-01
4 1.496D-02 1.040D-02 -3.075D+00 8.346D-01 C2S
6.012D-01
Warning ... QP slack variable = 3.18508D-01
Warning ... QP slack variable = 3.18508D-01
+---------------------------------------------------
+
Aspen Hydrotreater User Guide Working With The Equation-Oriented Solver • 4-11
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 often occur when the model is moved into a region
Singularities 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:
4-12 • Working With The Equation-Oriented Solver Aspen Hydrotreater User Guide
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 Remember that by default DMO does not respect bounds during
Bounding 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
Aspen Hydrotreater User Guide Working With The Equation-Oriented Solver • 4-13
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 During long runs, you can change the behavior of the DMO solver
Intervention 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
4-14 • Working With The Equation-Oriented Solver Aspen Hydrotreater User Guide
CHAPTER 5
Model Parameterization
Introduction to Model
Parameterization
To provide a better understanding of the Aspen Hydrotreater
model, this section presents a general description and discussion of
the model.
y2
SI
Ln (Di/Bi)
E f f e c t iv e C u t P o in t
0
y1
x2 TBi x0 x1
1
Di/Fi
0
x2 x0 x1
TBi
Key Operating Data Aspen 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 AspenHYT for a given
installation, we need the following information:
Pricing Information (for • Prices for all blend stocks, all products, and all utilities
Optimization Cases) • Incremental value of key product properties (sulfur, octane,
cetane, and so on.)
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.
Reconciliation Cases
You use the Reconciliation Case option to calibrate the
Hydrotreater model.
A reconciliation case is essentially a parameterization case with
degrees of freedom. This is necessary because the Hydrotreater
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 Hydrotreater) 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.
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.
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
RXN.R1B2.BLK.GLOBAL_ACTIVITY CONST
RXN.R2B1.BLK.GLOBAL_ACTIVITY CONST
RXN.R2B2.BLK.GLOBAL_ACTIVITY CONST
Group activity variables for the first bed of the first reactor
Activity variable Value Spec
R1B1.BLK.SAT_ACT 1 CONST
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
Reaction Rate Tuning The table shows the group rate constants that must be adjusted to
Strategy match the plant observation.
Observation Group Rate constants
Each Reactor Bed temperature Global Rate constants for each
rise reactor bed
Product Sulfur HDS Group Activity factors
Product Nitrogen HDN Group Activity factors
Product Yields Cracking Group Activity factors 1
Hydrogen consumption/Total Hydrogenation Group activity
temperature rise in the reactor factors
Relative amount of Ring opening group activity
paraffins/naphthene ratio in the factors
bottoms
The variables that 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.
Feed Property Tuning In the Aspen 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
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 As the Aspen Hydrotreater model is built, there are six streams
Change 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 After you have entered input data, you can solve the model with
Case the updated data by selecting the Simulate option from the
Introduction AspenHYT toolbar and then selecting the play button.
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.
Error Recovery
Error Recovery - You should check the convergence status shown at the top of the
Parameterization 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.
Overview
In addition to single cases, Aspen HYT 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.
To do this:
1 From the Aspen HYT menu select Setup Cases.
2 From the sub-menu select Case Study from the sub-menu 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 HYT Summary page nor the Param
Data 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.
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 HYT 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 HYT model, the objective functions are
normally economic:
• Maximize operating profit.
• Minimize operating cost.
• And so on.
Although Aspen Plus 2004.1 lets you define three different types
of objective functions:
• Linear
• Sum of Squares
• Symbolic
the HYT model uses only objective functions that are in linear
form.
LP Vectors
Overview
In addition to letting you determine yields, temperatures, product
properties, and so on, the Aspen HYT model provides the
capability of generating LP (Linear Programming) vectors.
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 HYT 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.
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.
Overview
The Aspen 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 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 shows the corresponding
components in the reactor model. The total number of components
in the reactor model is 97.
Table B 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.
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
Kinetic Framework
In Aspen 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 Hydrotreater and Aspen Hydrotreater model the following
reaction types:
• Hydrodesulfurization (HDS)
• Hydrodenitrogenation (HDN)
• Saturation of aromatics (Hydrogenation)
• Ring opening
• Ring dealkylation
• Paraffin hydrocracking
• Saturation of olefins1
When required, hydrodemetalization (HDM) is modeled with a
relatively simple extent-of-reaction block.
The Aspen Hydrotreater reaction scheme has the following
important characteristics:
• 45 reversible aromatics saturation reactions
Excel 3-15
. ACT file 4-11
Activates 3-15, 8-10
.var Files 2-6, 2-7, 6-17 Aspen HYT 3-15
Loading 2-7, 2-8 Optimize 8-9
Add Variables
0 Objective Functions dialog 8-3
Adjust
000 5-8 LPG 6-15, 6-16
pre-fractionation 6-15
2 Advanced Process Controller 9-1
AFFED1-AFFED6 3-2
2-methyl-3-ethylbenzene 10-1 AHYT3.SCN 6-3
Alternatives 6-13
3 Model Running Mode 6-12
Amount Needed 5-7
30 Analysis 5-14
Aromatics 8-7 Analyzing 8-14
3-dimethylhexane 10-1 Optimization Solutions 8-14
3-dimethylpentane 10-1 APC 9-2
API 5-1, 5-2, 5-5, 5-8, 5-17, 6-4, 6-
4 11
API Gravity 5-5, 5-8
4-dimethyl 10-2 Apinit 2-1, 3-16
4-position 10-7 Appdf file 2-1, 2-6
Aromatic 3-1, 6-11, 8-7
5 30 8-7
Aromatic/naphthene/paraffin 5-5
5-trimethylcyclohexane 10-3 determine 5-4, 5-5
Aspen AHT 3-12
6 loading 3-12, 3-13
Aspen EO 3-3
6-alkyl dibenzothiophenes 10-7 Aspen Hydrotreater 1-1, 2-1, 3-16,
6-postion 10-7 5-4, 5-8, 5-13, 5-16, 6-1, 6-
11, 6-14, 6-15, 6-16, 10-6, 11-
9 1
Starting 2-1, 2-3
97-lump 5-7
Aspen Hydrotreater 2004 2-1
Aspen Hydrotreater flowsheet 1-1
A Aspen Hydrotreater Overview 1-1
Aspen HYT 1-3, 1-4, 1-6, 1-7, 1-8,
Abort button 1-3, 3-13
1-10, 2-3, 2-5, 3-11, 3-12, 3-
Access 3-14
14, 3-15, 3-16, 3-17, 3-18, 4-