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Aspen Dynamics™ 12.1
Aspen Dynamics
Examples
Version: 12.1
August 2003
Copyright © 2003 by Aspen Technology, Inc. All rights reserved.
AspenTech product names that are mentioned in this manual, e.g., Aspen Dynamics™, Aspen Custom Modeler®,
Aspen Plus™, Enterprise Optimization and the aspen leaf logo are trademarks or registered
trademarks of Aspen Technology, Inc., Cambridge, MA.
All other brand and product names are trademarks or registered trademarks of their respective companies.
This manual 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
Introduction iii
About This Guide............................................................................................................... iii
Associated Guides.............................................................................................................. iii
What You Need To Use This Guide .................................................................................. iv
For More Information ........................................................................................................ iv
Online Help............................................................................................................ iv
Printing the Portable Document Format Files (PDFs).............................................v
World Wide Web .....................................................................................................v
Technical Support ....................................................................................................v
Associated Guides
Aspen Dynamics also comes with these other guides:
Printing the Portable To print these guides, you must have Adobe Acrobat Reader
Document Format installed on your machine.
Files (PDFs) Tip If you do not have the Adobe Acrobat Reader, you can
download a free copy from the Adobe web site at
http://www.adobe.com.
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Incorporated.
After you have installed the Adobe Acrobat Reader, you can open
the files to view and print the guides. To do this:
• From the Start menu, point to Programs, then AspenTech,
Aspen Engineering Suite, Product Name 12.1, Documentation,
and then click the name of the guide you want to access.
World Wide Web For additional information about AspenTech products and
services, check the AspenTech World Wide Web home page on
the Internet at:
http://www.aspentech.com/
Technical Support AspenTech customers with a valid license and software
maintenance agreement can register to access the Online Technical
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 application examples
• Search for and download service packs and product updates
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Phone Numbers
Example Description
DyBatch A batch distillation column
BatchDistOpt Dynamic optimization of a batch distillation column
BatchReactor A batch reactor initialized using script automation
BatchColumn A batch distillation column initialized using script
automation
DyC2splt A C2 splitter column
DyEster An esterification reactor
DyEtoh Azeotropic distillation of ethanol and water
DyFlash A simple flash drum
DyMCH Extractive distillation of methyl-cyclohexane
DyPfdtut Production of cyclohexane from benzene
DyMTBE Control of an MTBE reactive distillation column
DyMCH Extractive distillation of methyl-cyclohexane but
extended to include pressure relief
continued overleaf…
DyBatch
This is an example of batch distillation and illustrates these
features of Aspen Dynamics:
• Pressure driven flow
• Script automation of a Aspen Dynamics flowsheet
• Use of tasks to start up and operate the batch column
• Use of flowsheet equations to include hydraulics for the reflux
flow
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.
The solvents to be separated are isopropyl-acetate (IPA), methanol
(MEOH), and tetrahydrofuran (THF). As can be seen by the
residue curve below, this is a low-boiling azeotrope of THF and
MEOH form.
Creating the To create the BatchDistOpt example starting with the Aspen Plus
BatchDistOpt simulation:
Example 1. Locate the example folder BatchDistOpt. If you installed
Aspen Dynamics in the default location, this is in:
C:\Program Files\AspenTech\Aspen Dynamics
12.1\Examples
2. Copy all of the files in the BatchDistOpt folder to a
convenient working folder.
3. Load the simulation in BatchDistOpt.bkp in to Aspen Plus,
and run the simulation.
4. After the run completes, select Export on the File menu, and
export the simulation as a flow driven dynamic simulation.
5. Load the simulation in to Aspen Dynamics.
6. 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.
7. Make the following changes to model the condenser as a total
condenser with perfect vent pressure control:
• In stream CONDENS fix the pressure P
• In stream OVHD free the required flow FR
• In block COND fix the vapor fraction vf to a value of 0,
and free the required condenser duty QR
8. 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
9. Initialize the receiver to be empty at known temperature. To
do this:
• Change the value of
BLOCKS("RECEIVER").Mc("ACETONE") and
BLOCKS("RECEIVER").Mc("IPA") to 0
• Change the Spec of BLOCKS("RECEIVER").E to Free
• Change the spec of BLOCKS("RECEIVER").T to Initial
BatchColumn
This is an example of a batch column simulation and illustrates
these features of Aspen Dynamics:
• Use of scripts to automate initialization of an Aspen Dynamics
flowsheet
• Use of tasks to start up and operate the batch reactor
A mixture of methanol, ethanol and water is to be separated using
a batch distillation column. The composition of the charge is 30%
ethanol, 30% methanol and 40% water by weight.
The required product purity is 68% w/w.
The Aspen Plus Aspen Plus has been used to set up the flowsheet for the batch
Simulation column, which will be exported to Aspen Dynamics and initialized
to be full of nitrogen at 20 C and 1 atmosphere. Nitrogen has been
added to the component list in Aspen Plus even though it is not
used in the Aspen Plus simulation.
The column has been modeled using a RadFrac block. Feed
streams for the charge and nitrogen have been specified together
with vapor and liquid distillate streams and a bottoms stream.
The column has been specified with 10 stages, a partial vapor-
liquid condenser and a kettle reboiler. The column dimensions
have been specified on the RadFrac Dynamic form together with
the sump and reflux drum size and geometry. The LMTD heat
2. Perform a run.
3. Export it as a flow-driven dynamic simulation file.
4. Exit Aspen Plus.
Now you are ready to initialize the simulation in Aspen Dynamics.
Initializing the To initialize the BatchColumn Example in Aspen Dynamics:
BatchColumn 1. In Aspen Dynamics, open BatchColumn.dynf.
Example in Aspen
2. In the All Items pane of the Simulation Explorer, ensure
Dynamics
Flowsheet is selected. In the Contents pane, double-click Add
Script.
3. Enter a name for the script, for example, Setup.
4. In the text editor window, click the right mouse button and
point to Insert, then click File. Insert BatchColumnScript.txt.
5. Again click the right mouse button and click Invoke Script.
Close the text editor window.
6. Now create a task called BatchOperation.
To do this:
7. In the Contents pane of the Simulation Explorer, double-click
Operating Sequence
The operating sequence defined by the tasks is:
At time = 0.5 hours:
1. Ramp the mass flow rate of the Feed stream to 1000 kg/hr
over 0.1 hours.
2. Wait until the cumulative mass flow of stream Feed is >=
1000 kg.
3. Step the mass flow rate of the Feed stream to 0 kg/hr.
4. Wait for 3 minutes.
5. Increase the flow of the Nitrogen feed stream to 0.1 kmol/hr.
This is needed to maintain the pressure in the column.
6. Ramp the reboiler medium temperature to 80 C over 30
minutes.
7. Wait until the reflux drum level >= 0.3 m.
8. Start the reflux flow.
9. Wait for 3 minutes.
10. Start the product draw.
11. Ramp the reboiler medium temperature to 90 over 30
minutes.
12. Wait until the mass fraction of methanol in the distillate
receiver reaches 0.68.
13. Pause the simulation.
14. Use plots and tables to view the results of the simulation
during the dynamic run.
15. If you wish to repeat the simulation, rewind to saved snapshot
Empty_Initial and then run again.
The Aspen Plus Aspen Plus has been used to set up the flowsheet for the batch
Simulation reactor, which will be exported to Aspen Dynamics and initialized
to be full of nitrogen at 25 C and 5 bar. Nitrogen has been added to
the component list in Aspen Plus even though it is not used in the
Aspen Plus simulation.
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 via a Heater block to increase the pressure while the vapor
is sent to a vent stream.
Setting Up the Script automation is used to set up the dynamic simulation. The
Dynamic Simulation following steps are carried out using 3 scripts. A flowsheet level
script called Setup and an RCSTR model script called Empty and a
PID model script called Initialize.
The Flowsheet level script does the following:
1. Sets the feed flow rates to zero.
To do this:
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.
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.
DyFlash
This is a simple example of the separation of water, ethanol and
benzene in a flash drum.
On the Do this
Type Tab Throat Diameter: 0.2 m
Inlet Diameter: 0.22 m
Outlet Diameter: 0.22 m
Flow Calcs Tab Flow calculation method: Ideal HEM
(Simpson)
Hysteresis Tab: Set pressure: 1.2 atm
Full lift pressure, opening: 1.3 atm
Reset pressure: 1.1 atm
10. Click the Initialize button and wait a few moments for the run
to complete.
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.
2. Connect output from PSV to input of pipe and an outlet
product using MaterialStream.
3. Open the Configure form for the pipe.
4. On the Options form, choose Beggs-Brill as the friction
correlation, and Dynamic as the momentum balance.
5. On the Dimensions form, enter diameter 0.15m and length
20m.
6. Click the Setup button.
Example Description
BatchEster1 Considers only the liquid phase in the reactor.
BatchEster2 Consider vapor and liquid. Includes a condenser.
BatchEster3 Consider vapor and two liquid phases. Includes a
condenser.
Task Description
R1Charge1Flow Specifies that between 0.2 and 2.2 hours
from the start of the batch, 10 kmol/hr of
methanol is fed to the reactor
R1TCSP Specifies that from 0.1 to 0.4 hours from
the start of the batch the temperature
controller set point is ramped from 20 to
60C.
StopCriterion1 Stops the simulation when the mole
fraction of ester reached 0.45
StopCriterion2 Stops the simulation when the mole
fraction of acid drops to 0.05.
BatchEster2 The following picture is the flowsheet for the BatchEster2
example:
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.
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.
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.