Aspen Dynamics 2004: Examples

Aspen Dynamics
2004
Examples
Who Should Read this Guide
Aspen Dynamics 2004 users wishing to review and use the examples supplied
with Aspen Dynamics 2004.
Who Should Read this Guide 2

Contents
INTRODUCING ASPEN DYNAMICS ................................................................... 5
1 EXAMPLE SIMULATIONS.............................................................................. 7
DyBatch ................................................................................................................. 8
Using Script Automation in the DyBatch Example................................................... 10
Using Tasks in the DyBatch Example.................................................................... 10
Files Included with the DyBatch Example .............................................................. 11
Running the DyBatch Example ............................................................................ 11
BatchDistOpt ......................................................................................................... 13
Running the BatchDistOpt Example...................................................................... 14
Creating the BatchDistOpt Example ..................................................................... 15
BatchColumn......................................................................................................... 17
The Aspen Plus Simulation.................................................................................. 17
Setting Up the Dynamic Simulation...................................................................... 17
Running the BatchColumn Example...................................................................... 18
Initializing the BatchColumn Example in Aspen Dynamics........................................ 18
BatchReactor......................................................................................................... 19
The Aspen Plus Simulation.................................................................................. 19
Setting Up the Dynamic Simulation...................................................................... 20
Running the BatchReactor Example ..................................................................... 20
Initializing the BatchReactor Example in Aspen Dynamics ....................................... 21
DyC2splt............................................................................................................... 22
DyEster ................................................................................................................ 23
DyEtoh ................................................................................................................. 24
DyFlash ................................................................................................................ 24
DyMCH ................................................................................................................. 25
DyPfdtut ............................................................................................................... 26
DyMTBE................................................................................................................ 27
Pressure Relief Column Example .............................................................................. 28
Pressure Relief Reactor Example .............................................................................. 30
Running the Completed Relief Simulation.............................................................. 30
Creating the Reactor Relief Simulation ................................................................. 31
BatchEster ............................................................................................................ 34
BatchEster1 ..................................................................................................... 35
Contents 3
BatchEster2 ..................................................................................................... 36
BatchEster3 ..................................................................................................... 37
Kinetics Estimation from RC1 Calorimeter Results ....................................................... 37
Assumptions of the Kinetics Example ................................................................... 38
Defining the Reaction Mechanism ........................................................................ 38
About the Experimental Data .............................................................................. 39
Running the Kinetics Estimation Example.............................................................. 40
GasHDPE .............................................................................................................. 41
Running the GasHDPE Example ........................................................................... 42
Nylon6 ................................................................................................................. 43
Running the Nylon6 Example .............................................................................. 44
Polystyrene (PS) .................................................................................................... 45
Running the Polystyrene (PS) Example ................................................................. 46
Reverse Flow Simulation ......................................................................................... 46
DIERS Benchmark Examples.................................................................................... 48
GENERAL INFORMATION............................................................................... 49
Copyright.............................................................................................................. 49
Related Documentation........................................................................................... 51
TECHNICAL SUPPORT.................................................................................... 52
Online Technical Support Center.......................................................................... 52
Phone and E-mail .............................................................................................. 53
INDEX ........................................................................................................... 54
Contents 4
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:
• Examining process operability and control
• Evaluating plant safety
• Troubleshooting operational problems
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.
Introducing Aspen Dynamics 5

Introducing Aspen Dynamics 6
1 Example Simulations
A number of example simulations are included in your Aspen Dynamics

installation. If you have installed in the default location, these will be in the
folder
C:\Program Files\AspenTech\Aspen Dynamics 12.1\Examples.
Many of the examples are supplied as an Aspen Plus backup (.bkp) file. To
run one of these examples:
1 Copy the backup file and any associated text files to a convenient working
folder.
2 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 7
This table summarizes the examples that are supplied:
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.
PRReactor A reactor pressure relief system using an RCSTR with a

simple esterification reaction.
BatchEster Batch reactor examples.
KineticsEst Estimating kinetic parameters with a dynamic tank

reactor.
MchDMC Extractive distillation of methyl-cyclohexane using a

DMCplus controller.
Note: You need DMCplus Online to follow this example.
GasHDPE Gas phase high density polyethylene using Polymers

Plus with Ziegler Natta kinetics.
Nylon6 Polymerization of caprolactam to Nylon 6 using

Polymers Plus with step growth kinetics.
PS Polystyrene bulk polymerization by thermal initiation

using Polymers Plus with free radical kinetics.
Reverse flow How to set up and run the reverse flow simulation
example.
DIERS Design Institute for Emergency Relief systems (DIERS)

Benchmark pipe and safety relief valve benchmark examples.
Examples
Each of these examples is described in more detail later in this chapter.
DyBatch
This is an example of batch distillation and illustrates these features of Aspen
Dynamics:
• Pressure driven flow.
• Script automation of an 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.
The batch distillation will form the azeotrope in the condenser accumulator,
thus leaving a pure IPA product as the bottom product.
The simulation starts with this Aspen Plus flowsheet.
Using Script Automation in the
DyBatch Example
It is very useful to begin a batch distillation by starting with an empty
distillation column. No distillation column is truly empty at start-up, and the
presence of nitrogen is taken into account when there is no liquid present in
the column. A gas purge stream and a condenser vent are also included in the
simulation, since many start-ups include cycles of nitrogen purge and
vacuum.
In order to initialize the distillation column in an empty state, a script is used
to initialize all of the molar hold-ups. Since the volume for each tray is known
from the Aspen Dynamics simulation, the script easily calculates the molar
hold-ups with the assumption that most of the composition is nitrogen, with
only traces of other components. The script also shuts off all of the feed and
product flows to the column.
Using Tasks in the DyBatch Example

Aspen Dynamics can simulate batch or semi-batch operations with tasks.
Time and event-dependent tasks are introduced to vary the controllers in the
simulation just as operators would change the controllers in a batch
distillation plant.
The dynamic simulation starts by filling the distillation column sump with a
charge transferred from the feed tank. This is done using the Fill task.
After the sump is charged, the Heatup task ramps the reboiler steam
temperature up to the operating value of 130 °C. During the Heatup
operation the controller PC4 manipulates the position of valve V3 to allow the
nitrogen to vent from the column.
When the column reaches operating temperature, the task Pcontrol closes the
vent valve, and activates the pressure controller REBPID.
When the column reaches total reflux, task Step1 activates the reflux
controller RRPID that manipulates the product valve V7 to maintain the
required reflux ratio.
Task Step1 stops the simulation when the distillate IPA mole fraction rises to
0.004.
Files Included with the DyBatch
Example
The example includes these files:
File Name Description

DyBatch.bkp The Aspen Plus backup file.
DrumHydraulics.txt The flowsheet equation for the reflux drum

hydraulics.
EmptyScript.txt The initialization script.
FillTask.txt The fill task.
HeatupTask.txt The heatup task.
PControlTask.txt The pcontrol task.
Step1Task.txt The step1 task.
Running the DyBatch Example

To run the DyBatch example:
1 In Aspen Plus, open DyBatch.bkp.
If you installed Aspen Dynamics in the default location, DyBatch.bkp is in
C:\Program Files\AspenTech\Aspen Dynamics 12.1\Examples\DyBatch.
2 Perform a run.
3 Export it as a pressure-driven dynamic simulation file.
4 Exit Aspen Plus.
Now you are ready to initialize the simulation in Aspen Dynamics.
Initializing the DyBatch Example in Aspen Dynamics

To run the DyBatch example:
1 In Aspen Dynamics, open DyBatch.dynf.
2 Remove the LC6 level controller and its control connections.
3 Remove the LC3 level controller and its control connections. Add a Ratio
control element (RR) and a new PID controller (RRPID) under stream 9 on
the flowsheet.
4 Using a ControlSignal stream, connect:
Input1 of RR to the total mass reflux flow of the BATCHCOL column
(Reflux.Fm)
Input2 of RR to the stream 3 total mass flow (STREAMS("3").Fm)
Output of RR to the PV input of RRPID
Controller output (OP) of RRPID to the input of V7
5 Open the RRPID Configure form, and click Initialize Values to initialize
settings for this controller. Change the Gain to 3, the Integral time to 8
minutes, and on the Ranges tab, change the process variable range to be
from 0 to 50. Close the Configure form.
6 Add a second PID controller called REBPID and connect the PV input to the
stage 1 pressure (Stage(1).P), and the output to the reboiler UA
(Stage(15).UA).
7 Open the REBPID Configure form and initialize the controller. Change the
gain to 30, the integral time to 12 minutes, and the controller action to
Reverse. Close the Configure form.
After the addition of the controllers, the flowsheet should look like this:
8 In the All Items pane of the Simulation Explorer, select Flowsheet.

In the Contents pane, double-click the Flowsheet icon to open Constraints.
9 In the text editor window, select the commented text, then click with the
right mouse button and from the menu that appears, point to Insert then
click File. Insert DrumHydraulics.txt.
10 Then click again with the right mouse button, point to Build then click
Compile.
The flowsheet is now over specified by 1. Close the text editor window.
Running the DyBatch Example in Aspen Dynamics

To finish specifying and run the DyBatch example follow these steps:
1 Using Variable Find , find the variable Reflux.Fmr.

2 Click with the right mouse button on the variable and click Properties.
Change the specification from Fixed to Free, then click Apply.
The flowsheet will now be square, and properly specified. Close the
Variable Find window.
3 In the All Items pane of the Simulation Explorer, ensure Flowsheet is
selected. In the Contents pane, double-click Add Script.
4 Enter a name for the script, for example, Empty.
5 In the text editor window, click the right mouse button and point to Insert,
then click File. Insert Empty Script.txt.
6 Again click the right mouse button and click Invoke Script. Close the text
editor window.
Now create a task called Fill. To do this:
7 In the Contents pane of the Simulation Explorer, double-click Add Task.
Enter the name Fill.
then click File. With the cursor positioned just above the End statement,
insert FillTask.txt.
9 Again click with the right mouse button and click Compile. Close the text
editor window.
10 In the Contents pane of the Simulation Explorer, double-click the task to
activate it.
Repeat steps 7 – 10 to create the Heatup, Pcontrol and Step1 tasks.
11 Change the run mode to Dynamic and perform a dynamic run.
These steps are automatically performed and the run will stop on
completion:
Time Task Action

(hrs)
0.05 – 0.1 Fill Ramp Valve V2 position to 20% (start filling
column).
0.51 – 1.51 Heatup Level in column > 0.5m, ramp-up reboiler

duty.
0.58 –0.63 Fill Level in feed tank < 0.3m, ramp Valve V2
position to 0%.
1.26 Pcontrol Temperature at top of column > 58 °C,

commission pressure control.
1.68 -1.78 Step1 Reboiler on and steady, commission

RefluxRatio control.
2.71 - 3.14 Step1 As the IPA molefraction rises at top of

column, increase reflux ratio.
3.29 Step1 Step1 IPA molefraction reaches 0.004,

pause run.
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.
This example is created by starting with an Aspen Plus simulation, exporting
this to Aspen Dynamics, and then configuring the simulation within Aspen
Dynamics. The configured Aspen Dynamic file is provided. For details of how
to run this see Running the BatchDistOpt Example.
For detailed instructions on how to create the example from the Aspen Plus
bkp file see Creating the BatchDistOpt Example. The procedure may help you
in creating your own applications.
Running the BatchDistOpt Example

To run the BatchDistOpt 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 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.
5 Load the file BatchDistOpt.dynf into Aspen Dynamics.
6 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.
7 Click the run button to run the simulation.
8 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.
Note: If you want to do repeated optimization runs, after a run

rewind to time zero before starting the next run. You may also
want to load the result Init to be sure to start the run from this
initial condition.
Creating the BatchDistOpt Example
To create the BatchDistOpt example starting with the Aspen Plus simulation:
1 Locate the example folder BatchDistOpt. If you installed Aspen Dynamics
in the default location, this is in:
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
10 For dynamic optimization it is necessary to ensure that the simulation is
solved to a high degree of precision and that any noise is minimized. To
help with this you must change from using local properties to using
rigorous properties. In Explorer go to Simulation and open the
SimulationOptions table. Change the Global property mode to Rigorous.
11 Perform an initialization run and save the result as “Init” for future use.
12 The next few steps configure the dynamic optimization problem. To begin,
from the Tools menu select Optimization.
13 On the Setup tab select "Perform Dynamic Optimization".
14 On the Control Variables tab add the variable
BLOCKS("REFSPLIT").sf("REFLUX").
15 On the Control Discretization tab select Free for Final Time, deselect "Use
Default Bounds" and change the lower bound to 0.2. Change Number of
Elements to 5.
16 On the Objective Function tab select "Add final time to objective function".
Close the Optimization window.
17 On the Dynamic Constraints tab add the variable
blocks(“RECEIVER”).Mc(“Acetone”). Leave the Constraint type at the
default of Final time. Click the edit button to edit the constraint and enter
a lower bound of 0.07. Leave the upper bound at 1000000.
18 On the Dynamic Constraints tab add the variable
blocks(“RECEIVER”).Out_P.Z(“IPA”). Leave the Constraint type at the
default of Final time. Click the edit button to edit the constraint and enter
an upper bound of 0.06. Leave the lower bound at 0.
19 Create a new Flowsheet Table to display a summary of the optimization
results. Do this by clicking the New Table button on the Tools toolbar. Call
the table OptSummary. Add the following variables to the table:
BLOCKS("REFSPLIT").sf("REFLUX")
BLOCKS("RECEIVER").z("IPA")
BLOCKS("RECEIVER").Mc("ACETONE")
20 Create a new Flowsheet plot to display how the optimizer changes reflux
versus time. You can do this by clicking the New Plot button on the Tools
toolbar. Call the plot Reflux. Add the variable
BLOCKS("REFSPLIT").sf("REFLUX"). Right mouse click on the time axis
and select Edit. Change the axis range to 0 to 1.
21 For dynamic optimization it is necessary to tighten the solver tolerances to
reduce the noise seen by the optimizer. On the Run menu go to Solver
Options and enter the following values:
On the Tolerances tab:
Absolute Variable tolerance = 1e-7
Relative Variable tolerance = 1e-7
On the Integrator tab:
Minimum Integration step = 1e-5
Absolute Integration error tolerance = 1e-7
On the Optimizer tab:
Solution Convergence Tolerance = 0.005
22 Change the run mode to Optimization and run the simulation.
Note: If you want to do repeated optimization runs, after a run

rewind to time zero before starting the next run. You may also
want to load the result Init to be sure to start the run from this
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 Simulation

Aspen Plus has been used to set up the flowsheet for the batch 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 transfer option has been selected for the
condenser and the cooling medium temperature specified as 20 C. This
represents cooling water. The Constant temperature heat transfer option has
been selected for the reboiler and the medium temperature has been
specified as 120 C. This represents steam heating.
Setting Up the Dynamic Simulation

Script automation is used to set up the dynamic simulation. The following
steps are carried out using 2 scripts. A flowsheet level script called Setup and
a RadFrac model script called Empty.
The Flowsheet level script does the following:
1 Adds a reflux ratio controller.
2 Sets the feed flow rates to zero.
3 Calls the RadFrac Empty script to initialize the column to be full of
nitrogen at 20 C and 1 atmosphere.
4 Performs an initialization run.
5 Saves a snapshot.
Running the BatchColumn Example
To run the BatchColumn example:
1 In Aspen Plus, open BatchColumn.bkp. If you installed Aspen Dynamics in
the default location, BatchColumn.bkp is in:
C:\Program Files\AspenTech\Aspen Dynamics

12.1\Examples\BatchColumn.
2 Perform a run.
3 Export it as a flow-driven dynamic simulation file.
4 Exit Aspen Plus.
Initializing the BatchColumn Example

in Aspen Dynamics
To initialize the BatchColumn Example in Aspen Dynamics:
1 In Aspen Dynamics, open BatchColumn.dynf.
3 Enter a name for the script, for example, Setup.
then click File. Insert BatchColumnScript.txt.
editor window.
6 Now create a task called BatchOperation.
To do this:
Enter the name BatchOperation.
8 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.
9 Again click with the right mouse button and click Compile or press F8.
Close the text editor window.
activate it.
11 Change the run mode to Dynamic and perform a dynamic run.
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.
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.
BatchReactor
This is an example of batch reactor 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.
The reaction modeled is the production of carbon tetrachloride from tri-
chloromethane:
CHCl3 + Cl2 ! CCl4 + HCl
Note: The kinetics used are for illustration purposes only.
The Aspen Plus Simulation

Aspen Plus has been used to set up the flowsheet for the batch 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 while the vapor is sent to a vent
stream.
Setting Up the Dynamic Simulation

Script automation is used to set up the dynamic simulation. The 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.
2 Adds temperature controller TC1 to the flowsheet.
3 Connects TC1.PV to the reactor temperature.
4 Connects TC1.OP to the reactor cooling medium flow rate.
5 Calls the PID controller Initialize script to initialize TC1.
6 Calls the RCSTR Empty script to initialize the reactor to be full of nitrogen
at 25 C and 5 bar.
7 Sets the temperature controller to manual, sets it’s output to 100 kg/hr
and it’s setpoint to 25 C.
8 Performs an initialization run.
9 Saves a snapshot.
Running the BatchReactor Example

To run the BatchReactor example:
1 In Aspen Plus, open BatchReactor.bkp. If you installed Aspen Dynamics in
the default location, BatchReactor.bkp is in:

12.1\Examples\BatchReactor.
2 Perform a run.
3 Export it as a flow-driven dynamic simulation file.
4 Exit Aspen Plus.
Initializing the BatchReactor Example
in Aspen Dynamics
To initialize the BatchReactor Example in Aspen Dynamics
1 In Aspen Dynamics, open BatchReactor.dynf.
3 Enter a name for the script, for example, Setup.
then click File. Insert SetupScript.txt.
editor window.
6 Delete level controller LC1 and its control streams.
7 Now create a task called ChargeFeed.
To do this:
Enter the name ChargeFeed.
9 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.
activate it.
12 Repeat steps 6 – 10 to create tasks StartCl2, TempControl and PauseSim.
Change the run mode to Dynamic and perform a dynamic run

The operating sequence defined by the tasks is:
1 Step the mass flow rate of the CHCl3 feed stream to 5000 kg/hr.
3 Step the mass flow rate of the CHCl3 feed stream to 0 kg/hr.

1 Ramp the mass flow rate of the Cl2 feed stream to 200 kg/hr over 15
minutes.
2 Ramp the mass flow of the refrigerant to the condenser to 1000 kg/hr
over 15 minutes.
When the reactor temperature reaches 60 C:
1 Switch the temperature controller to Auto.
2 Change the set point to 60 C.
3 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.
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.
Although this example is formulated as a continuous process, the dynamic

simulation can be operated in a batch or semi-batch way. A typical use of
dynamic simulation would be to analyze different operating strategies for this
process.

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.

DyFlash
This is a simple example of the separation of water, ethanol and benzene in a
flash drum.

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.

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.
The dynamic simulation can be used to examine the operability of this

process, and to evaluate alternative control strategies.

DyMTBE
MTBE (Methyl-tert-Butyl-Ether) is produced to enhance the octane of
gasoline. This chemical is often manufactured from the reaction of iso-
butylene and methanol. This example illustrates how MTBE can be
manufactured in a distillation column with catalytic packing.
The distillation column exhibits multiple-steady states. At least three steady

states have been shown to occur. In Aspen Plus, a sensitivity study has been
used to move the methanol feed location from the top of the column to tray
10. Tray 10 is the optimum feed location, and gives the highest MTBE yield.
It is interesting to study the control of this column, since even small
disturbances in the methanol feed rate can move the column to a lower yield
steady state.

A Fortran subroutine is used to calculate the kinetics of the reaction. This is

contained in the file RaMTBE.f. Before running the simulation you must:
1 Copy RaMTBE.f to the same folder as the backup file DyMTBE.bkp.
2 Open an Aspen Plus Simulation Engine window (MS-DOS).
3 In this window, move to the folder containing RaMTBE.f.
4 Compile RaMTBE.f using the command:
aspcomp ramtbe.f
Pressure Relief Column
Example
This example takes an existing Aspen Dynamics example, DyMch, and
extends it to include pressure relief.

Follow these steps to set up this example in Aspen Dynamics:

1 In Aspen Plus, open DyMch.bkp and run the simulation.
If you installed Aspen Dynamics in the default location, DyMch.bkp is in
C:\Program Files\AspenTech\Aspen Dynamics 12.1\Examples.
2 Export the simulation as a Flow Driven Dyn Simulation.
3 In Aspen Dynamics, open the file.
4 On the Run Control toolbar, set the Run Mode to Initialization.
5 Run the simulation.
6 Add an instance of the PSV model just above the column. The PSV model
is in the PressureRelief folder of the Aspen Dynamics library.
7 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.
8 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:
9 Open the Configure form of the PSV and click Initialize. When the run has
completed, enter this data:
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.
11 In the Simulation Explorer, ensure Flowsheet is selected and then add,
compile and activate the following task:
Task CondFail runs when time == 0.03
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.
Pressure Relief Reactor

Example
This is an example of a reactor pressure relief system. The reactor is an
RCSTR with a simple esterification reaction. The relief system consist of a
safety relief valve mounted on top of the reactor and a pipe attached to the
end of the valve. In the example the contents of the reactor are heated at
constant temperature and the effect this has on the pressure relief system
can be observed.

For this example, you can either follow the instructions to create the reactor
relief simulation example, starting from the Aspen Plus steady-state
simulation, or you can run the completed relief simulation which is supplied.
Running the Completed Relief

Simulation
To run the completed reactor relief simulation supplied:
1 In Aspen Plus, open PRReactor.bkp and run the simulation.
If you installed Aspen Dynamics in the default location, PRReactor.bkp is
in C:\Program Files\AspenTech\Aspen Dynamics
12.1\Examples\PRReactor.
2 Export the simulation as a P Driven Dyn Simulation (*.dynf & *dyn.appdf).
3 In Aspen Dynamics, open the file PRReactorA.dynf that is provided.
4 From the Tools menu, click Snapshots.
This opens the Snapshot Management dialog box, which lists the available
snapshots.
5 Click the DynStart snapshot, to highlight it for copying.
6 Click the Copy Values button.
7 Close the Snapshot Management dialog box.
8 On the Run Control toolbar, set the Run mode to Dynamic.
9 Open the ResultsReliefSummary form for the reactor.
10 Open the ResultsReliefPlot for the reactor and set the time axis range as 0
to 0.01 hours.
Note that on the ReactorReliefSummary form, blue indicates the liquid height,
and pink indicates the swell height.
Creating the Reactor Relief Simulation

Follow these steps to create the reactor relief simulation from an Aspen Plus
backup file. The reactor is an RCSTR with a simple esterification reaction.
• Opening and exporting the file.
• Configuring the reactor.
• Adding a PSV.
• Adding a pipe.
• Simulating a runaway reaction.
Opening and Exporting the Example

Follow these steps to create the reactor relief simulation:
1 In Aspen Plus, open PRReactor.bkp and run the simulation.
If you installed Aspen Dynamics in the default location, PRReactor.bkp is
in C:\Program Files\AspenTech\Aspen Dynamics
12.1\Examples\PRReactor.
2 Export it as a P Driven Dyn Simulation (*.dynf & *dyn.appdf).
3 In Aspen Dynamics, open the PRreactor.dynf generated.
5 From the Tools menu, point to Units of Measurement and select Metric.
Now you can configure the reactor.
Configuring the Reactor

Follow these steps to configure the reactor and create a reactor relief
simulation:
1 Remove Temperature controller and its control streams.
2 Remove Level controller and its control streams.
3 Close valves B1 and B2. (To do this, open the Manipulate table and
change the position to 0%.)
4 Open the Configure form for the Reactor and under Advanced Options,
select Perform Pressure Relief Vapor/Liquid Disengagement Calculations.
5 On the Configure form, click the Setup button.
6 Choose Holdups tab.
7 Select N2 as Inert.
8 Check Specify Pressure and enter 1.2 bar.
9 Click the Setup button.
10 Check specify Temperature and enter 150 Deg C.
12 Check Specify Vapor Volume Fraction and enter 0.1 (90% full of liquid).
14 Select the Disengagement tab.
15 Choose DIERS Churn Turbulent as the method for disengagement.
The reactor is configured. Close the Configure form. Now you can add a PSV.
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.
2 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.
3 Open the Configure form for the PSV instance and on the Type tab, enter
0.15m for the diameter.
4 Click the Initialize button.
5 On the Flow Calculations form, choose Ideal HEM (DIERS) as the flow
method.
6 Click the Initialize button.
7 Choose the Hysteresis tab.
8 Set Valve Type to Balanced.
9 Enter these pressures:
− Set Pressure 2.0 bar.
− Full Lift Pressure, Opening 2.5 bar.
− Reset Pressure 1.5 bar.
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.
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.
The pipe is now configured. Close the Configure form. Now you can simulate a
runaway reaction.
Simulating a Runaway Reaction

Follow these steps to simulate a runaway reaction and create a reactor relief
simulation:
1 Open the Configure form for the reactor.
2 Select the Heat Transfer tab.
3 For the Heating Option, select Constant Temperature.
4 Enter 300 °C for the Medium Temperature.
5 Enter 224 kW/K for the Overall heat transfer * area.
6 Close the Configure form and then change the run mode to Dynamic.
7 From the Run menu, click Solver Options.
8 On the Integrator tab:
Set this option: To:

Initial Integration Step 1E-5
Minimum Integration Step 1E-6
Maximum Integration Step 1E-3
Absolute Integration Error Tolerance 0.001
Tear Integration Error Tolerance 0.05
9 From the Run menu, click Run Options.
10 Set the run mode to Dynamic.
11 Set the Communication Interval at 1E-4 and Pause at 0.05.
12 Open the ResultsReliefSummary form for the reactor.
13 Open the ResultsReliefPlot for the reactor and set the time axis range as 0
to 0.01 hours.
Note that on the ReactorReliefSummary form, blue indicates the liquid height
and pink indicates the swell height.
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 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.
These examples are designed to be used as templates that you can use as a
starting point for your own batch reactor simulations.

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.
2 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.
3 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
4 Open the Aspen Dynamics simulation and run as required.
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.
The flowsheet section includes four tasks which are used to specify how the
reactor will be operated. These are:
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
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 partial pressure of inerts is not modeled.
• If required, a nitrogen blanketing system could be modeled, but this will
not normally have a significant effect on the results of the simulation.
The vapor line from the reactor is connected through a Valve model which
represents the small resistance to flow in the vapor line.
A Flash2 model is used to represent the condenser. The Configure form is
used to specify that the model is instantaneous (no holdup), and is cooled
with cooling water at 25 °C. The Condenser vent pressure is fixed to 1 bar on
the Configure form for the R1Vent stream.
The liquid from the condenser passes to a reflux splitter. The Configure form
is used to specify that all of the liquid is returned to the reactor.
BatchEster3
This example is similar to BatchEster2, but is also capable of modeling two

liquid phases in the overhead system.
The condenser uses the Flash3 model to model both a condenser and
decanter. There are two liquid streams leaving the condenser. Liquid 1 is less
dense.
Each of the two liquid phases leaving the condenser have a separate reflux
splitter so that you can control the amount of each that is returned to the
reactor.
Kinetics Estimation from RC1

Calorimeter Results
The kinetics estimation reactor model (KineticsEst) in Aspen Dynamics can be
used to estimate kinetic parameters using experimental results from a
calorimeter, such as the Mettler-Toledo RC1e. This example uses the RC1e
Tutorial example as shown in Chapter 5 and 11 of the RC1 Manual, hydrolysis
of acetic anhydride.
In this example, 52 grams of acetic anhydride are added to 650 grams of

water in a 2 liter RC1 calorimeter. The calorimeter determines the total heat
release during the experiment, and also evaluates the heat released due to
the reaction.
Aspen Dynamics can use the Estimation run mode to estimate pre-
exponential factors, activation energies, and other parameters. Heat evolution
data coupled with reaction extent or composition data can be used to
determine the basic kinetic parameters for most reactions.
Assumptions of the Kinetics Example

In this example, these assumptions are made:
• The reaction extent is complete at the end of the experiment.
• Rigorous physical properties from Aspen Plus give an accurate heat of
reaction and heat capacity.
Defining the Reaction Mechanism

The Reactions tab on the Configure form is used to specify the proposed
kinetics for the reaction. This form could also be used to specify multiple
reactions as well as Langmuir-Hinshelwood kinetics.
To see the Configure form:
1 Click the KineticsEst block R1 to select it.
2 Click with the right mouse button on the block.
3 From the menu that appears, point to Forms then click Configure.
4 Select the Reactions tab:
To edit the reactions:
1 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):
About the Experimental Data

The experimental conditions entered in the Excel data file Qflow_1M.CVS, are
directly obtained from the RC1 run.
The three columns of interest are:
i Time (in seconds).
ii Temperature, Tr (in degrees C).
iii Corrected duty, Q (in W).
Running the Kinetics Estimation
Example
To run this example:
1 Locate the example folder KineticsEst. If you installed Aspen Dynamics in
the default location, this is in:
2 Copy all of the files in the KineticsEst folder to a convenient working
folder.
3 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.
4 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
5 In Microsoft Excel, open the datafile Qflow_1M.cvs.
6 In Aspen Dynamics, open the file KineticsEstimation.dynf.
7 Open the Configure form for block R1 on the flowsheet.
8 On the Estimated Variable tab, change the pre exponential variable
Pre_exp(1) from Available to Selected.
9 On the Experiments tab, click Create Experiment and then click Edit
Experiments.
The standard Aspen Custom Modeler Estimation dialog box is displayed.
10 Change the run mode to Estimation.
11 On the Run menu, select Run Options. Change the time units in which the
user interface should display time to seconds. This is because the
experimental data uses times in seconds.
Now click OK to close the Run Options window.
12 Edit the experiment that you just created. To do this, click the experiment
name KineticEstimation, and then click the Edit button.
13 On the Measured Variables tab, edit the variable Q (duty). To do this, click
the variable R1.Q and then click the Edit button.
14 In the Dynamic Measurement Data window, remove the single line of
existing data. To do this, click on the cell that contains 0.0 for Time, click
the right mouse button and then click Remove.
15 In Excel, copy all the values for the first six columns (columns Time to Q)
and paste into the first cell in the Dynamic Measurement Data window. If
you are prompted "Are weights included in the end column?", click No.
16 Click OK to close the Dynamic Measurement Data window.
17 On the Fixed Variable tab, edit the variable R1.T (temperature).
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
0 0
5560 0
5560.1 0.208
6460 0.208
6460.1 0
21 Click OK to close the Fixed Ramping Data window.

22 Click Done to close the Edit Estimation dialog box.
24 On the Estimation dialog box, go to the Estimated Variables tab to see the
estimated value of the pre-exponential factor, which is approximately
0.125.
You can also edit R1.Q in the dynamic experiment, and click the plot
button to see the observed versus predicted values.
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.
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:
• Evaluate alternative grade transition policies.

• Study alternative control schemes for controlling the polymer properties.
Running the GasHDPE Example

To reconfigure the controllers:
1 Click on the output signal and reconnect destination to the new
manipulated variable indicated:
Controlled Default Manipulated New

Variable Variable Manipulated
(Input Signal) Variable
Level Powder mass flow rate(Fml_outr) Do not change
Pressure Recycle gas mole flow rate(Fv_outr) Nitrogen feed rate

STREAMS("GFEED
").FmcR("N2")
Temperature Reactor heat duty(Qr) Cooler heat duty

BLOCKS("COOLER
").QR
2 After reconnection, re-initialize the temperature and pressure controllers.

To do this, on the controller Configure form, click the Initialize button.
3 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.
4 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 Start the dynamic simulation.
2 Open the reactor form PolymerPlot and the GFEED Configure form.
3 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.
4 You can immediately view polymer results in tables and plots for the CSTR
reactor.
5 To calculate additional polymer attributes for the product, or any other
stream containing polymer, open the PolymerResults form, and change
the DerivedAttributes parameter to Yes.
This generates additional equations and variables in the model, and is Off
by default to maximize performance.
6 Run again to calculate the additional attributes.
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 dynamic model can be used for:
• Operability studies, to look at strategies for changing the production rate
while maintaining product quality.
• Control studies.
• Safety studies.
• Training for process engineers who want to learn about the process.
Running the Nylon6 Example

To run the example:
1 When the Aspen Plus model is sent to flow-driven Aspen Dynamics, click
the Run button. The dynamic simulation starts.
2 After a few steps, change the run mode to Steady-State. The open
equation model converges to the same results as Aspen Plus.
3 You can immediately view polymer results, plots and DPN profiles for the
CSTR and RPLUG reactors.
4 To calculate additional polymer attributes for the polymer stream, open
the PolymerResults form, and change the DerivedAttributes parameter to
Yes.
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.
Free radicals are formed by thermal initiation of styrene. Polymer is formed

by initiation and propagation reactions, and the polymer molecular weight is
controlled by termination reactions. 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 Free Radical kinetics, and the phase equilibria using PolyNRTL.
The dynamic model can be used for:
• Operability studies, to look at strategies for changing the production rate
while maintaining product quality, and ensuring the heating and cooling
utilities can handle any demand peaks.
• Control studies.
• Safety studies.
• Training for process engineers who want to learn about the process.
Running the Polystyrene (PS) Example
To run this example:
1 When the Aspen Plus model is sent to flow-driven Aspen Dynamics, click
the Run button.
The dynamic simulation starts.
2 After a few steps, change the run mode to steady state.
The open equation model converges to the same results as Aspen Plus.
3 You can immediately view polymer results, plots, and DPN profiles for the
CSTR and RPLUG reactors.
4 To calculate additional polymer attributes for the product, or any other
stream containing polymer, open the PolymerResults form and change the
DerivedAttributes parameter to Yes.
6 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.
Reverse Flow Simulation

This is an example of a pressure driven simulation where changes that occur
dynamically give rise to pressure gradients that lead to flow reversal. The
example uses the Flash2, Valve and Mixer models. At steady state, Flash F2 is
at a higher pressure than Flash F1. Vapor products from both units are vented
through the Mixer to product stream VA. During dynamic simulation, Valve V3
on this product line is closed and the pressure gradients between F2 and F1
cause reverse flow of the vapor product line from F1.
This is the reverse flow simulation flowsheet:
Creating and Running the Reverse Flow Simulation Example
Follow these steps to create and run the reverse flow simulation example,
starting from an Aspen Plus backup file:
1 In Aspen Plus, open reverse.bkp and run the simulation.
If you installed Aspen Dynamics in the default location, reverse.bkp is in
12.1\Examples\ReverseFlow.
2 Export the simulation as a P Driven Dyn Simulation (*.dynf & *dyn.appdf).
3 In Aspen Dynamics, open the file reverse.dynf.
5 Run the simulation. Save a snapshot.
6 Using the Simulation Explorer, add a flowsheet level task under
Simulation\Flowsheet to change the position of Valve V3 to 2 %.
An example of a task to do this is provided in the text file V3Pos.txt,
whose default location is:
C:\Program Files\AspenTech\Aspen Dynamics 12.1\Examples\ReverseFlow
7 Open the SimulationOptions table and change the value of the parameter
GlobalRFlow to True. The SimulationOptions table is found in Simulation
Explorer under Simulation.
8 With the Run Mode set to Initialization, rerun the simulation and save a
snapshot.
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.
DIERS Benchmark Examples

The DIERS benchmark examples are a set of case studies that serve to
validate computer software for rating pressure relief systems. They
particularly focus on two-phase pressure relief.
For a full description of the benchmark examples and details on how to set up
and run each case study, refer to the Aspen Dynamics DIERS Benchmarks pdf
file in the Examples\DiersBenchMarks folder of your Aspen Dynamics
installation.
General Information
Copyright
Version Number: 2004
November 2004
Copyright © 1981 – 2004 Aspen Technology, Inc. All rights reserved.
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IQ Desktop™, Aspen IQ Online™, Aspen IQmodel Powertools™, Aspen
Kbase®, Aspen LIMS Interface™, Aspen Local Security™, Aspen LPIMS™,
General Information 49
Aspen MBO™, Aspen MIMI®, Aspen MPIMS™, Aspen Multivariate Server™,
Aspen MUSE™, Aspen NPIMS™, Aspen OnLine®, Aspen Operations Manager -
Event Management™, Aspen Operations Manager - Integration
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Aspen Operations Manager - Role Based Visualization™, Aspen Order Credit
Management™, Aspen Orion Planning™, Aspen Orion™, Aspen PEP Process
Library™, Aspen PIMS Blend Model Library™, Aspen PIMS Distributed
Processing™, Aspen PIMS Enterprise Edition™, Aspen PIMS Mixed Integer
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Aspen Plant Scheduler™, Aspen Plus OLI Interface™, Aspen Plus®, Aspen
Polymers Plus®, Aspen PPIMS™, Aspen Process Data™, Aspen Process
Explorer™, Aspen Process Manual™, Aspen Process Order™, Aspen Process
Plant Construction Standards™, Aspen Process Recipe®, Aspen Process
Tools™, Aspen Product Margin & Blending Evaluation™, Aspen Production
Control Web Server™, Aspen ProFES® 2P Tran, Aspen ProFES® 2P Wax,
Aspen ProFES® 3P Tran, Aspen ProFES® Tranflo, Aspen Properties®, Aspen
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CatCracker™, Aspen RefSYS Spiral™, Aspen RefSYS™, Aspen Report Writer™,
Aspen Resource Scheduling Optimization™, Aspen RTO Watch Cim-IO
Server™, Aspen RTO Watch Server™, Aspen Scheduling & Inventory
Management™, Aspen SmartStep Desktop™, Aspen SmartStep Online™,
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Mechanical™, Aspen TASC™, Aspen Teams®, Aspen Terminals
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PIMS™, Aspen Utilities™, Aspen Voice Fulfillment Management™, Aspen
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Aspen Zyqad Development Version™, Aspen Zyqad™, SLM™, SLM
Commute™, SLM Config Wizard™, the aspen leaf logo, and Plantelligence 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 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
AspenTech or as set forth in the applicable license.
Corporate
Aspen Technology, Inc. Phone: (1) (617) 949-1000
Ten Canal Park Toll Free: (1) (888) 996-7001
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USA URL: http://www.aspentech.com
Related Documentation
In addition to this document, the following documents are provided to help
users learn and use the Aspen Dynamics applications.
Title Content
Aspen Dynamics 2004 Getting Started Guide Contains three tutorials for you to
work through, to familiarize yourself
with Aspen Dynamics.
Aspen Dynamics 2004 User Guide Contains introductory information on

Aspen Dynamics, as well as
instructions for creating, editing and
running simulations.
Aspen Dynamics 2004 Reference Guide Describes the models, physical

property procedures and global
parameters that are available in Aspen
Dynamics.
Technical Support
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You use the Online Technical Support Center to:
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Technical Support 52
Phone and E-mail
Customer support is also available by phone, fax, and e-mail for customers
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Technical Support 53
Index
A S
available 53 Scripts
example of using 8
D examples 11
Dimethyl-ether dynamic example 23 Simulations
documentation 51 examples 7
DyPfdtut example 26
T
E Tasks
Examples example of using 8
dynamic 7 examples 10, 11
Fill task 10
Flash dynamic example 24
Hydrogenation example 26
Methylcyclohexane dynamic example 25
Pcontrol task 10
Pressure relief
examples 28, 30
Reverse flow simulations

example 46
Index 54

Aspen Dynamics 2004: Examples

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Aspen Dynamics

Who Should Read this Guide 2

Introducing Aspen Dynamics 5

A number of example simulations are included in your Aspen Dynamics

BatchDistOpt Dynamic optimization of a batch distillation column.

BatchReactor A batch reactor initialized using script automation.

BatchColumn A batch distillation column initialized using script

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

PRReactor A reactor pressure relief system using an RCSTR with a

BatchEster Batch reactor examples.

KineticsEst Estimating kinetic parameters with a dynamic tank

MchDMC Extractive distillation of methyl-cyclohexane using a

GasHDPE Gas phase high density polyethylene using Polymers

Nylon6 Polymerization of caprolactam to Nylon 6 using

PS Polystyrene bulk polymerization by thermal initiation

DIERS Design Institute for Emergency Relief systems (DIERS)

Each of these examples is described in more detail later in this chapter.

Note: If you are using a Simulation Engine installation from a

The solvents to be separated are isopropyl-acetate (IPA), methanol (MEOH),

The simulation starts with this Aspen Plus flowsheet.

Using Tasks in the DyBatch Example

File Name Description

DrumHydraulics.txt The flowsheet equation for the reflux drum

EmptyScript.txt The initialization script.

FillTask.txt The fill task.

HeatupTask.txt The heatup task.

PControlTask.txt The pcontrol task.

Step1Task.txt The step1 task.

Running the DyBatch Example

Now you are ready to initialize the simulation in Aspen Dynamics.

Initializing the DyBatch Example in Aspen Dynamics

8 In the All Items pane of the Simulation Explorer, select Flowsheet.

Running the DyBatch Example in Aspen Dynamics

1 Using Variable Find , find the variable Reflux.Fmr.

Time Task Action

0.51 – 1.51 Heatup Level in column > 0.5m, ramp-up reboiler

1.26 Pcontrol Temperature at top of column > 58 °C,

1.68 -1.78 Step1 Reboiler on and steady, commission

2.71 - 3.14 Step1 As the IPA molefraction rises at top of

3.29 Step1 Step1 IPA molefraction reaches 0.004,

Running the BatchDistOpt Example

Note: If you want to do repeated optimization runs, after a run

Note: If you want to do repeated optimization runs, after a run

The Aspen Plus Simulation

Setting Up the Dynamic Simulation

C:\Program Files\AspenTech\Aspen Dynamics

Now you are ready to initialize the simulation in Aspen Dynamics.

Initializing the BatchColumn Example

Note: The kinetics used are for illustration purposes only.

The Aspen Plus Simulation

Setting Up the Dynamic Simulation

Running the BatchReactor Example

C:\Program Files\AspenTech\Aspen Dynamics

Now you are ready to initialize the simulation in Aspen Dynamics.

Change the run mode to Dynamic and perform a dynamic run

At time = 0.5 hours: