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2004
Examples
Aspen Dynamics 2004 users wishing to review and use the examples supplied
with Aspen Dynamics 2004.
Contents
INTRODUCING ASPEN DYNAMICS ................................................................... 5
1 EXAMPLE SIMULATIONS.............................................................................. 7
BatchDistOpt ........................................................................................................... 8
Running the BatchDistOpt Example........................................................................ 9
Creating the BatchDistOpt Example ..................................................................... 10
BatchColumn......................................................................................................... 12
The Aspen Plus Simulation.................................................................................. 12
Setting Up the Dynamic Simulation...................................................................... 12
Running the BatchColumn Example...................................................................... 13
Initializing the BatchColumn Example in Aspen Dynamics........................................ 13
BatchReactor......................................................................................................... 14
The Aspen Plus Simulation.................................................................................. 14
Setting Up the Dynamic Simulation...................................................................... 15
Running the BatchReactor Example ..................................................................... 15
Initializing the BatchReactor Example in Aspen Dynamics ....................................... 16
DyC2splt............................................................................................................... 17
DyEster ................................................................................................................ 18
DyEtoh ................................................................................................................. 19
DyFlash ................................................................................................................ 19
DyMCH ................................................................................................................. 20
DyPfdtut ............................................................................................................... 21
DyMTBE................................................................................................................ 22
Pressure Relief Column Example .............................................................................. 23
Pressure Relief Reactor Example .............................................................................. 25
Running the Completed Relief Simulation.............................................................. 25
Creating the Reactor Relief Simulation ................................................................. 26
BatchEster ............................................................................................................ 29
BatchEster1 ..................................................................................................... 30
BatchEster2 ..................................................................................................... 31
BatchEster3 ..................................................................................................... 32
Kinetics Estimation from RC1 Calorimeter Results ....................................................... 32
Assumptions of the Kinetics Example ................................................................... 33
Defining the Reaction Mechanism ........................................................................ 33
Contents
GENERAL INFORMATION............................................................................... 44
Copyright.............................................................................................................. 44
Related Documentation........................................................................................... 46
TECHNICAL SUPPORT.................................................................................... 47
Online Technical Support Center.......................................................................... 47
Phone and E-mail .............................................................................................. 48
INDEX ........................................................................................................... 49
Contents
Introducing Aspen
Dynamics
Dynamic simulation is essential for any company that wants to maximize the
operability, safety and productivity of plants they design or operate.
Aspen Dynamics 2004 is a powerful and easy to use tool that enables you to
realize the benefits of dynamic simulation. Aspen Dynamics is tightly
integrated with AspenTech's steady-state simulator Aspen Plus. With Aspen
Plus, a process can be evaluated in terms of the steady-state energy
consumption, yield improvement, and process alternatives.
Using Aspen Dynamics, the same process model can also be used for dynamic
process analyses, such as:
Starting from a complete Aspen Plus process model, Aspen Dynamics can
generate dynamic results in minutes and enable engineers to evaluate
process and control alternatives in just days.
1 Example Simulations
Copy the backup file and any associated text files to a convenient working
folder.
Load it into Aspen Plus and proceed to create and run the dynamic
simulation in the normal way.
Some examples have more associated files. The files for each one of these
examples are supplied in a separate sub-folder. The example descriptions
include details of how to run these examples.
1 Example Simulations
Description
BatchDistOpt
BatchReactor
BatchColumn
DyC2splt
A C2 splitter column.
DyEster
An esterification reactor.
DyEtoh
DyFlash
DyMCH
DyPfdtut
DyMTBE
DyMCH
PRReactor
BatchEster
KineticsEst
MchDMC
GasHDPE
Nylon6
PS
Reverse flow
DIERS
Benchmark
Examples
BatchDistOpt
This example shows how to use Aspen Dynamics for the optimization of the
operation of a batch distillation column. The column separates a mixture of
acetone and iso-propyl alcohol (IPA). The objective is to find the best profile
of reflux ratio versus time to minimize the time to separate the mixture,
subject to constraints on the purity and yield of the acetone rich distillate.
1 Example Simulations
3. Load the backup file BatchDistOpt.bkp into Aspen Plus and run it.
4
From the File menu, click Save As and save the simulation as an Aspen
Plus Document (.apw file), with name BatchDistOptdyn, then exit Aspen
Plus. This creates the file BatchDistOptdyn.appdf which contains all of the
physical properties data required for the dynamic simulation. The .apw file
is not required, and you can delete this.
Select Snapshots from the Tools menu. Double click on the result Init to
use it to initialize the simulation, and then close the dialog box.
To see the progress of the optimization open the Flowsheet plot Reflux.
This shows the reflux ratio versus time. You can see how this is
manipulated by the optimizer during successive iterations towards the
solution. You can also open the Flowsheet table OptSummary to see a
summary of the optimization results.
1 Example Simulations
After the run completes, select Export on the File menu, and export the
simulation as a flow driven dynamic simulation.
Delete the controllers PC1, LC1 and the control streams connecting them
to the column. To do this go to the Dynamics folder in Explorer and open
Scripts, Double click the RemoveControl script to run it.
Shut off feed and product flows from the flowsheet by changing the values
of:
Streams("FEED").FR to 0
Streams("BOT").FmR to 0
Streams("PROD").FmR to 0
1 Example Simulations
10
1 Example Simulations
11
BatchColumn
This is an example of a batch column simulation and illustrates these features
of Aspen Dynamics:
Saves a snapshot.
1 Example Simulations
12
Perform a run.
In the text editor window, click the right mouse button and point to Insert,
then click File. Insert BatchColumnScript.txt.
Again click the right mouse button and click Invoke Script. Close the text
editor window.
In the text editor window, select all of the existing text with the mouse (or
use Ctrl-A). Click the right mouse button and point to Insert, then click
File. Insert BatchOperationTask.txt.
Again click with the right mouse button and click Compile or press F8.
Close the text editor window.
Operating Sequence
The operating sequence defined by the tasks is:
At time = 0.5 hours:
1 Example Simulations
13
Ramp the mass flow rate of the Feed stream to 1000 kg/hr over 0.1
hours.
Wait until the cumulative mass flow of stream Feed is >= 1000 kg.
Increase the flow of the Nitrogen feed stream to 0.1 kmol/hr. This is
needed to maintain the pressure in the column.
BatchReactor
This is an example of batch reactor simulation and illustrates these features
of Aspen Dynamics:
1 Example Simulations
14
The reactor has been modeled using an RCSTR block. Feed streams for CHCl3
and Cl2 have been specified together with vapor and liquid product streams.
The reactor volume has been specified together with the diameter and
geometry. The reactor needs to be cooled so the LMTD heat transfer option
has been selected and the cooling medium temperature specified as 20 C.
This represents cooling water in a jacketed reactor.
The mass and heat capacity of the reactor have been specified so that the
dynamic effects of the equipment heat capacity can be modeled.
The reactor vapor product stream is sent to a condenser, which has been
modeled using an instantaneous HeatX block with refrigerant on the cold side.
An instantaneous Flash2 block has been used to separate the liquid from the
vapor. The liquid is returned to the reactor while the vapor is sent to a vent
stream.
Calls the RCSTR Empty script to initialize the reactor to be full of nitrogen
at 25 C and 5 bar.
Sets the temperature controller to manual, sets its output to 100 kg/hr
and its setpoint to 25 C.
Saves a snapshot.
Perform a run.
1 Example Simulations
15
In the text editor window, click the right mouse button and point to Insert,
then click File. Insert SetupScript.txt.
Again click the right mouse button and click Invoke Script. Close the text
editor window.
In the text editor window, select all of the existing text with the mouse (or
use Ctrl-A). Click the right mouse button and point to Insert, then click
File. Insert ChargeFeedTask.txt.
10 Again click with the right mouse button and click Compile or press F8.
Close the text editor window.
11 In the Contents pane of the Simulation Explorer, double-click the task to
activate it.
12 Repeat steps 6 10 to create tasks StartCl2, TempControl and PauseSim.
Step the mass flow rate of the CHCl3 feed stream to 5000 kg/hr.
Step the mass flow rate of the CHCl3 feed stream to 0 kg/hr.
Ramp the mass flow rate of the Cl2 feed stream to 200 kg/hr over 15
minutes.
Ramp the mass flow of the refrigerant to the condenser to 1000 kg/hr
over 15 minutes.
1 Example Simulations
16
Wait for 6 minutes and then ramp the set point to 80 C over 5 minutes.
Pause the simulation when the mass holdup of CHCl3 in the reactor falls to
less than 5 kg.
Use plots and tables to view the results of the simulation during the dynamic
run.
If you wish to repeat the simulation, rewind to saved snapshot Empty_Initial
and then run again.
DyC2splt
This example models a C2 splitter distillation column which separates a
mixture of mostly ethane and ethylene into two main product streams. A third
top product stream contains mostly methane.
The simulation uses the Aspen Plus tray rating capability to perform rigorous
tray calculations. These same methods are used in the dynamic simulation.
A typical use of dynamic simulation would be to evaluate and tune alternative
control strategies for this distillation column.
1 Example Simulations
17
DyEster
This example simulates a process for production of dimethyl-ether from the
esterification reaction between methanol and n-hexanoic acid. The reaction
takes place in a continuous stirred tank reactor. Attached to this is a
separation system for removing water from the reactor to help promote the
esterification reaction.
1 Example Simulations
18
DyEtoh
This example models the separation of ethanol and water using azeotropic
distillation, using cyclohexane as an entrainer to break the water-ethanol
azeotrope.
Because of the recycles between the columns the dynamics of this process
can be quite complex. A dynamic simulation can be used to examine the
response of this process to feed disturbances, and to help determine the best
control scheme for the process.
Note: If you are using a Simulation Engine installation from a
client machine, you must make sure that you run Aspen Plus
using the same server and the same working folder as you have
configured for Aspen Dynamics.
DyFlash
This is a simple example of the separation of water, ethanol and benzene in a
flash drum.
1 Example Simulations
19
DyMCH
This example models the extractive distillation of methyl-cyclohexane and
toluene, using phenol as an entrainer. The dynamic simulation can be used to
evaluate and tune alternative control strategies for controlling the purity of
the methyl-cyclohexane product.
1 Example Simulations
20
DyPfdtut
This example models the production of cyclohexane by the hydrogenation of
benzene. The flowsheet includes the main reactor loop, and a downstream
column for product purification.
1 Example Simulations
21
DyMTBE
MTBE (Methyl-tert-Butyl-Ether) is produced to enhance the octane of
gasoline. This chemical is often manufactured from the reaction of isobutylene and methanol. This example illustrates how MTBE can be
manufactured in a distillation column with catalytic packing.
aspcomp ramtbe.f
1 Example Simulations
22
Add an instance of the PSV model just above the column. The PSV model
is in the PressureRelief folder of the Aspen Dynamics library.
Connect the relief port of the column to the inlet of the PSV using a
stream of type MaterialStream. Also add a MaterialStream product to the
outlet of the PSV.
Open the Configure form for the product stream and fix the pressure in
the product stream. Enter your required product stream pressure.
The flowsheet should look like this:
1 Example Simulations
23
Open the Configure form of the PSV and click Initialize. When the run has
completed, enter this data:
On the
Do this
Type Tab
Hysteresis Tab:
10 Click the Initialize button and wait a few moments for the run to complete.
1 Example Simulations
24
BLOCKS("PC2").automan : 1;
BLOCKS("PC2").Opman : 0;
End
This task simulates a loss of cooling water to the overhead condenser by
stepping the output of the pressure controller to zero.
12 On the Integrator tab of Solver Options dialog:
set the initial step size to 0.0001 hours;
set the minimum step size to 1e-8 hours.
13 On the Run Options dialog, set the communication interval to 0.0001
hours.
14 Switch to Dynamic run mode and run the simulation.
1 Example Simulations
25
10 Open the ResultsReliefPlot for the reactor and set the time axis range as 0
to 0.01 hours.
11 Run the simulation.
Note that on the ReactorReliefSummary form, blue indicates the liquid height,
and pink indicates the swell height.
Adding a PSV.
Adding a pipe.
From the Tools menu, point to Units of Measurement and select Metric.
1 Example Simulations
26
Close valves B1 and B2. (To do this, open the Manipulate table and
change the position to 0%.)
Open the Configure form for the Reactor and under Advanced Options,
select Perform Pressure Relief Vapor/Liquid Disengagement Calculations.
Select N2 as Inert.
Adding a PSV
Follow these steps to configure a PSV and create a reactor relief simulation:
1
From the PressureRelief folder of the Dynamics library, drag and drop the
PSV model to the flowsheet.
Using MaterialStream from the Dynamics Library Stream Types folder, join
the Vapor outlet to the Feed of the PSV and add a product stream from
the outlet of the PSV.
Open the Configure form for the PSV instance and on the Type tab, enter
0.15m for the diameter.
On the Flow Calculations form, choose Ideal HEM (DIERS) as the flow
method.
1 Example Simulations
27
The Full Lift Pressure, Closing, will be calculated from these three
parameters.
10 Ensure that the values look reasonable on the Hysteresis diagram tab.
11 Click the Initialize button and then close the Initialize form.
With the PSV configured, now add a pipe.
Adding a Pipe
Follow these steps to add a pipe and create a reactor relief simulation:
1
Drag and drop the Pipe2 model from the Dynamics library in the
PressureChangers folder.
Connect output from PSV to input of pipe and an outlet product using
MaterialStream.
The pipe is now configured. Close the Configure form. Now you can simulate a
runaway reaction.
Close the Configure form and then change the run mode to Dynamic.
To:
1E-5
1E-6
1E-3
0.001
0.05
1 Example Simulations
28
BatchEster
This is a set of three examples that illustrate how to use Aspen Dynamics for
batch reactor simulations. All three examples model the esterification of
methanol and acetic acid to product methyl acetate. The three examples are:
Example
Description
BatchEster1
BatchEster2
BatchEster3
These examples are designed to be used as templates that you can use as a
starting point for your own batch reactor simulations.
Note: If you are using a Simulation Engine installation from a
client machine, you must make sure that you run Aspen Plus
using the same server and the same working folder as you have
configured for Aspen Dynamics.
To run one of the examples:
1
Copy the Aspen Plus backup file BatchEsterProps.bkp, and the relevant
Aspen Dynamics input file to a convenient working folder.
Load the bkp file into Aspen Plus and run it. Note that this is a properties
only input file, so you will not see a flowsheet within Aspen Plus.
Save the simulation as an Aspen Plus Document (.apw file), and exit
Aspen Plus.
This creates the file batchesterprops.appdf which contains all of the
physical properties data required for the dynamic simulation. The .apw file
is not required, and you can delete this.
1 Example Simulations
29
BatchEster1
The following picture is the flowsheet for the BatchEster1 example:
This example simulates a fed batch reactor producing methyl acetate from
acetic acid and methanol.
The reactor configuration is entered on the reactor Configure form. This
includes details of the reactor geometry, heating and cooling, and the reaction
kinetics.
The initial charge of the reactor is 20 kmol of acetic acid at 25 C. The reactor
pressure is fixed to 1 bar. These conditions are entered on the reactor
Initialize form.
A temperature controller measures the reactor temperature, and sends its
output to a split range controller. This controls the amount of heating and
cooling. If the reactor is too hot, cooling is applied, and if it is too cold,
heating is applied. The heating in this example is provided by steam, and the
cooling by cooling water. The flow of each of these is manipulated by the
controller.
A vent line is attached to the reactor. Because of this, the reactor will perform
emissions calculations. As material is charged to the reactor, the displaced
vapor is flashed at the vent condenser temperature specified on the Configure
form. Any vapor that is not condensed leaves in the vent stream. The
cumulative vent flow is determined and can be viewed on the Results form for
the R1Vent stream. To switch on calculation of cumulative flows the stream
sensor was switched on using the ConfigureSensor form, and the Cumulative
flows option was selected.
1 Example Simulations
30
The flowsheet section includes four tasks which are used to specify how the
reactor will be operated. These are:
Task
Description
R1Charge1Flow
R1TCSP
StopCriterion1
StopCriterion2
BatchEster2
The following picture is the flowsheet for the BatchEster2 example:
This example is similar to BatchEster1, but also models the reactor condenser
system. Use this modeling approach if boiling takes place in the reactor.
Note that:
The pressure calculated in the reactor is the vapor pressure of the reactor
contents.
The vapor line from the reactor is connected through a Valve model which
represents the small resistance to flow in the vapor line.
1 Example Simulations
31
BatchEster3
The following picture is the flowsheet for the BatchEster3 example:
1 Example Simulations
32
From the menu that appears, point to Forms then click Configure.
1 Example Simulations
33
On the Reactions tab, click the Edit button that is next to Include Power
Law Reactions.
The Power Law dialog box appears (see the picture on the next page):
ii
1 Example Simulations
34
Load the backup file KineticEstProps.bkp into Aspen Plus and run it.
Note that this is a properties only input file, so you will not see a
flowsheet in Aspen Plus.
From the File menu, click Save As and save the simulation as an Aspen
Plus Document (.apw file), then exit Aspen Plus.
This creates the file KineticEstProps.appdf which contains all of the
physical properties data required for the dynamic simulation. The .apw file
is not required, and you can delete this.
On the Experiments tab, click Create Experiment and then click Edit
Experiments.
The standard Aspen Custom Modeler Estimation dialog box is displayed.
1 Example Simulations
35
18 In Excel, copy all the values for the first two columns (columns Time and
Tr) and paste into the first cell in the Fixed Ramping Data window.
19 Click OK to close the Fixed Ramping Data window.
20 On the Fixed Variable tab, edit the variable R1.Fm_in(1) (inlet mass
flowrate), and enter the following information:
Time
Value
5560
5560.1
0.208
6460
0.208
6460.1
GasHDPE
This example simulates a gas-phase high density polyethylene process. The
feed stream, GFEED, contains the monomers: ethylene and butene, hydrogen
to control the polymer molecular weight and nitrogen to control the pressure.
Catalyst and co-catalyst are fed directly to the reactor in stream CFEED. The
heat of reaction is removed in the high flow recycle stream.
This model uses Polymers Plus to capture the polymer characterization, the
polymer thermophysical properties and phase equilibria and polymer kinetics.
The polymerization reaction is modeled using Ziegler Natta kinetics and the
catalyst is characterized by 1 site type (polydispersity = 2). Multiple site types
must be used to characterize broader molecular weight distributions.
The following illustration shows the flowsheet.
1 Example Simulations
36
When the Aspen Plus model is sent to flow-driven Aspen Dynamics, default
controllers are added for level, temperature, and pressure control. The
temperature and pressure controllers need to be reconfigured to represent a
typical gas phase process.
The dynamic model can be used to:
Controlled
Variable
(Input Signal)
Default Manipulated
Variable
New
Manipulated
Variable
Level
Do not change
Pressure
Temperature
For the pressure controller, the action must be changed from Direct to
Reverse. This is because in the default scheme, increasing the
manipulated variable (recycle rate) would decrease the pressure, whereas
in the new scheme, increasing the manipulated variable (nitrogen feed)
would increase the pressure. So the controller has the opposite action.
1 Example Simulations
37
Click the Run button. The dynamic model will start integrating forward.
After a few steps, you may change the run mode to Steady-State. The
open equation model will converge to the same results as Aspen Plus.
Try increasing the hydrogen feed rate and observe the effect it has on the
polymer chain length. To do this:
1
Open the reactor form PolymerPlot and the GFEED Configure form.
Increase the hydrogen feed rate (say by 10%) and note that the polymer
produced has a smaller molecular weight. Hydrogen is a chain transfer
agent causing shorter polymer chains to be produced.
You can immediately view polymer results in tables and plots for the CSTR
reactor.
Nylon6
This model is also included in the Aspen Plus/ Polymers Plus examples, and it
is fully described in the online Help for the steady-state Polymers Plus
examples. It is included here with dynamic specifications for the column and
the reactors.
Briefly, caprolactum is polymerized in the presence of water to form Nylon6.
This multi-stage model uses Polymers Plus to capture the polymer
characterization, the polymer thermophysical properties and phase equilibria
and polymer kinetics. The polymerization reaction is modeled using step
growth kinetics, and the phase equilibria using PolyNRTL.
The model is used to study the effect of feed flow rate on caprolactam
conversion, degree of polymerization, and extraction value.
The following illustration shows the flowsheet.
1 Example Simulations
38
Control studies.
Safety studies.
Training for process engineers who want to learn about the process.
When the Aspen Plus model is sent to flow-driven Aspen Dynamics, click
the Run button. The dynamic simulation starts.
After a few steps, change the run mode to Steady-State. The open
equation model converges to the same results as Aspen Plus.
You can immediately view polymer results, plots and DPN profiles for the
CSTR and RPLUG reactors.
1 Example Simulations
39
Polystyrene (PS)
This model is also included in the Aspen Plus/ Polymers Plus examples, and it
is fully described in the online Help for the steady-state Polymers Plus
examples. It is included here with dynamic specifications for the reactors, and
counter-current cooling for the plug flow reactor.
Briefly, bulk polystyrene is produced by the free-radical polymerization of
styrene monomer. The process consists of two CSTR reactors followed by a
plug flow reactor, and the devolatilization section.
The following illustration shows the flowsheet.
Control studies.
Safety studies.
Training for process engineers who want to learn about the process.
1 Example Simulations
40
When the Aspen Plus model is sent to flow-driven Aspen Dynamics, click
the Run button.
The dynamic simulation starts.
You can immediately view polymer results, plots, and DPN profiles for the
CSTR and RPLUG reactors.
Try opening the FEED stream Configure form and increasing the feed rate
from 7000 kg/hr to 7500 kg/hr. Look at the temperature controller plots
to see the peak heating and cooling demand, and the PolymerPlot in the
PRODUCT stream to see the impact on polymer properties.
1 Example Simulations
41
Open the SimulationOptions table and change the value of the parameter
GlobalRFlow to True. The SimulationOptions table is found in Simulation
Explorer under Simulation.
With the Run Mode set to Initialization, rerun the simulation and save a
snapshot.
1 Example Simulations
42
This serves as a starting point for all simulations with the reverse flow
functionality activated.
9
Switch the pressure controllers PC4 and PC2 to manual, and activate task
V3Pos.
10 Set the Run Mode to Dynamics and run the simulation again.
Observe that, as Valve V3 closes, the pressure gradient between the two
Flash units (via valves V1 and V7 and the Mixer) causes the flow to divert
from F2 to F1, which in turn reverses the flow in Stream V1A. Reverse flow is
indicated by negative flow rates.
1 Example Simulations
43
General Information
Copyright
Version Number: 2004
November 2004
Copyright 1981 2004 Aspen Technology, Inc. All rights reserved.
Aspen ACOL, Aspen Adsim, Aspen Advisor, Aspen Aerotran, Aspen
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CatRef, Aspen Chromatography, Aspen Cim-IO for ACS, Aspen Cim-IO
for Csi VXL, Aspen Cim-IO for Dow MIF, Aspen Cim-IO for G2, Aspen
Cim-IO for GSE D/3, Aspen Cim-IO for Hewlett-Packard RTAP, Aspen CimIO for Hitachi PLC (H04E), Aspen Cim-IO for Intellution Fix, Aspen Cim-IO
for Melsec, Aspen Cim-IO for WonderWare InTouch, Aspen Cim-IO for
Yokogawa Centum CS, Aspen Cim-IO for Yokogawa Centum XL, Aspen
Cim-IO for Yokogawa EW3, Aspen Cim-IO Interfaces, Aspen Cim-IO
Monitor, Aspen Cim-IO, Aspen Collaborative Demand Management,
Aspen Collaborative Forecasting, Aspen Compliance.21, Aspen
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Manual, Aspen Crude Manager, Aspen Crude Margin Evaluation, Aspen
Custom Modeler, Aspen Data Source Architecture, Aspen Decision
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Optimizer Online, Aspen General Construction Standards, Aspen Hetran,
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Amines, Aspen HYSYS Crude, Aspen HYSYS Dynamics, Aspen HYSYS
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Upstream, Aspen HYSYS, Aspen Icarus Process Evaluator, Aspen Icarus
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General Information
44
Cambridge, MA 02141-2201
USA
URL: http://www.aspentech.com
General Information
45
Related Documentation
In addition to this document, the following documents are provided to help
users learn and use the Aspen Dynamics applications.
Title
Content
General Information
46
Technical Support
Send suggestions.
Technical advisories.
Product updates.
Technical Support
47
Operating Hours
North America
South America
Europe
Technical Support
48
Index
available 48
Simulations
examples 7
D
Dimethyl-ether dynamic example 18
documentation 46
DyPfdtut example 21
E
Examples
dynamic 7
F
Flash dynamic example 19
H
Hydrogenation example 21
M
Methylcyclohexane dynamic example 20
P
Pressure relief
examples 23, 25
R
Reverse flow simulations
example 41
Index
49