ASPEN PLUS EXAMPLE PROBLEMS

This section is devoted to example reaction problems. The problems were

taken from the 4th Edition of Elements of Chemical Engineering by H. Scott
Fogler. Both problems come from Example 8-5, the first is an adiabatic
reactor and the second is a PFR with constant cooling temperature. Please
note, it is assumed that the user knows how to create a flowsheet and enter
process conditions, since these examples explain only the values to enter for
each input window.
Example 8-5 Adiabatic Production of Acetic
Anhydride
Jeffreys, in a treatment of the design of an acetic anhydride manufacturing
facility, states that one of the key steps is the vapor-phase cracking of
acetone to ketene and methane:
CH
3
COCH
3
CH
2
CO + CH
4

He states further that this reaction is first-order with respect to acetone and
that the specific reaction rate can be expressed by
ln k = 34.34 - 34,222/T (E8-5.1)
where k is in reciprocal seconds and T is in Kelvin. In this design, it is desired
to feed 8000 kg of acetone per hour to a tubular reactor. If the reactor is
adiabatic, the feed pure acetone, the inlet temperature 1035K, and the
pressure 1 62 kPa (1.6 atm), a tubular reactor of what volume is required for
20% conversion?
Creating the Flowsheet
The flowsheet consists of one inlet stream, a PFR, and one product stream. It
should look like this:

Create a flowsheet like this in ASPEN PLUS
TM
. If you do not know how, see
Example 4-3. When the flowsheet is complete, Required Input
Incomplete should appear in the lower right corner of the screen. Click
the Next button. Click OK when prompted to Enter Required Data.
Entering Process Conditions
This section will explain what values to type in for each input window. If you
do not know how to enter values, change units, or navigate through the
input windows, see Example 4-3.
Setup
1. Title: Enter any title you wish.
Components
1. Under Component Name type the following in a column: ACETONE,
KETENE, METHANE
2. Under Comp ID type in any id names for the above components: A, K, C1
3. Click Next
Properties
1. From the Property method pull-down menu select SYSOP0
2. Click Next.
3. Click OK when prompted about continuing entering stream input.
Stream
1. Description: Enter any description of stream 1.
2. Temp: 1035 K (change units if necessary)
3. Pres: 1.6 atm (change units if necessary)
4. Composition: Change to MASS-FLOW KG/HR
5. For a mass flowrate of A (acetone) type 8000. Leave ketene and methane
at zero (no mass flow in reactant stream).
6. Total: Change to MASS-FLOW and enter 8000 KG/HR
7. Click Next.
Blocks
1. Description: Enter any description for PFR, perhaps Adiabatic PFR.
2. Type: ADIABATIC
3. Length: Need to guess a length, 3 METERS is a good starting point.
4. Diam: Need to guess a diameter, 1 METER is a good starting point.
5. Click Next
6. After you create the reaction set, add it in the Reactions tab
Reactions - Stoichiometry
1. Select New...
2. Reaction Name: enter a name for the reaction set
3. Select Type: LHHW
4. Select OK
5. In Stoichiometry select: New
6. Under Rectants: select acetone from the components pull-down menu and
set the coefficient to -1
7. Under Products: select ketene and methane and set both coefficients to 1
8. Click Next.
Reactions - Kinetic
1. Select the reaction from the pulldown menu
2. Change Reacting Phase to Vapor
3. Enter 1.125 for k
4. Enter 1000 K for To
5. Enter the activation energy E of the Arrhenius equation, 67999 CAL/MOL.
This value was solved for using equation E8-5.1:
k (s
-1
) = 8.2x1014exp(-32,444/T)
(Note that R is missing in the denominator.)
Activation Energy = E = (32,444)(R)
E = (32,444)(1.987 cal/mol K) = 67999 cal/mol
Reactions - Kinetic - Driving Force
1. Under Reactants: set acetone exponent to 1
2. Under Products: set ketene and methane exponent to 0
3. Set constants to 0
4. Select Term 2 from the pull-down menu
5. Set all Exponents and constants B, C, and D to 0
6. Set constant A to -1000000
7. Click Next.
Running the Simulation and Interpreting the Results
Click Next again until you are prompted to run the simulation. Click OK.
When the simulation is complete, click next and choose to Display Run-
Status results form. If you do not know how to interpret the results
window, see Example 4-3. Otherwise, check the conversion (X = moles
reacted/moles fed). Does X = 20%? If X < 20%, you must increase the
length of the PFR. If X > 20%, you must decrease the length of the PFR.
In this case where length = 3 m, diam = 1m, the conversion was greater
than 20%. Therefore, you need to go back to the PFR and input a smaller
length. You must access the Rplug.Main window to do this. If you do not
know how to reenter inputs, see Example 4-3.
This time, try a length of 2.5 m while holding the diameter constant at 1 m.
When you rerun the simulation, you will find that X = 20%! Finishing up the
example, the volume of the PFR with these dimensions is V = 1.96 m
3
.



Reference: G. V. Jeffreys, A Problem in Chemical Engineering Design: The
Manufacture of Acetic Anhydride, 2nd ed. (London: Institution of Chemical
Engineers, 1964).

Example 8-5 Operation of a PFR with Heat
Exchanger
We again consider the vapor-phase cracking of acetone used in Example 8-5:
CH
3
COCH
3
CH
2
CO + CH
4

The reactor is to be jacketed so that a high-temperature gas stream can
supply the energy necessary for this endothermic reaction (see Figure E8-
5.1). Pure acetone enters the reactor at a temperature of 1035K and the
temperature of the external gas in the heat exchanger is constant at 1150K.
The reactor consists of a bank of one thousand 1-in. schedule 40 tubes. The
overall heat-transfer coefficient is 110 J/m
2
-s-K. Determine the temperature
profile of the gas down the length of the reactor.

Figure E8-5.1
Creating the Flowsheet
Use the same flowsheet as the adiabatic example.
Entering Process Conditions
Follow instrctions for Setup, Components, Properties, Stream, Reactions -
Stoichiometry, reactions - Kinetic, and reactions - Kinetic - Driving Force. The
only chnage from the adiabatic example is in the Block input data.
Blocks
1. On the Specifications tab, change reactor type to: Reactor with constant
coolant temperature.
2. Enter the heat transfer parameter U: 110 J/sec-sqm-K.
3. Enter the coolant temperature: 1150 K
4. Length: Need to guess a length, 3 METERS is a good starting point.
5. Diam: Need to guess a diameter, 1 METER is a good starting point.
6. Click Next.
7. If the reaction set has already been made add it in the Reactions tab
Run the simulation. Again, adjust the length until the conversion is X = 20%.
In this example, the proper length was 1.9 m with a diameter of 1 m. Thus
the volume was V = 1.49 m
3
.
Temperature Profiles down the Length of the PFR
To see the temperature profile down the length of the PFR, do the following:
1. In the left explorer window, double click on blocks and then select B1
2. From the main file menu, select Plot and then Plot Wizard
3. In the window that appears, hit next, and then select Temperature. Hit
Next
4. Find the "Which X-axis variable would you like to plut?" Mark the reactor
Length choice. Change any other options (such as units) and when you
are done select Finish. You will see the plot of temperature as a function
of reactor length.
You should see a plot of the temperature profile that looks like this:

I. Introduction
II. Accessing ASPEN PLUS
TM

III. Creating a Reaction Engineering Process Model
A. Building a Process Flowsheet
B. Entering Process Conditions
IV. Running the Process Model
A. Interpreting the Results
B. Changing Process Conditions and Rerunning the Model
V. Example Problems
A. 8-5: Adiabatic Production of Acetic Anhydride
B. 8-5: Operation of a PFR with Heat Exchanger
VI. Other Need-to-Knows
A. Saving your Process Model
B. Printing your Process Model
C. Changing Names of Streams and Unit Operations
D. Changing Units of Parameters
E. Exiting ASPEN PLUS
TM

VII. Credits
Back to ASPEN PLUS
TM
Main Page

Fogler & Gurmen
2008 University of Michigan