Aspen Hysys Reactive Distillation

Reactive Distillation 1
Reactive Distillation
© 2000 AEA Technology plc - All Rights Reserved.

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2 Reactive Distillation
Workshop
With the continuous removal of reaction products, reactive distillation
has found acceptance as a means of improving the technical and
economic operation of processes where it is applicable. Advantages of
this process include higher yields, energy savings and reduced capital
costs.
Fast Track to page 7
In this example, you will study the manufacture of Methyl Acetate, an
important oil resin used in the manufacture of artificial leathers. You
will simulate the synthesis of Methyl Acetate from Methanol and Acetic
Acid in a catalytic distillation column.
Learning Objectives
Once you have completed this section, you will be able to:
• Model reactive distillation columns
Process Overview
Column Overview
Building the Simulation

Defining the Simulation Basis
1. Start a new case using the Wilson Activity Model. The
components are: Methanol, Acetic Acid, M-Acetate and Water.
In the HYSYS component Enter the Simulation Environment.

database, M-Acetate is the
SimName and Methyl-Acetate
is the FullName.
Add the Feed Stream
Add the feed stream with the following values:
In This Cell... Enter...
Conditions
Stream Name Feed
Temperature 75°C (165°F)
Pressure 101.3 kPa (14.7 psia)
Molar Flow 45 kgmole/h (100 lbmole/hr)
Composition - Mole Fractions
Methanol 0.4
Acetic Acid 0.4
M-Acetate 0.1
Water 0.1
Add the Distillation Column

Add a Distillation Column with the following connections:
In This Cell... Enter...
Connections
Column Name Reactive Distil
No. of Stages 15
Feed Feed, Stage 10
Condenser Type Total
Ovhd Liquid Distillate
Bottoms Liquid Bottoms
Condenser Energy Cond Q
Reboiler Energy Reb Q
Pressure
Delta P, Condenser 0 kPa (0 psi)
Condenser 90 kPa (13 psia)
Reboiler 97 kPa (14 psia)
Specs
Reflux Ratio 5
Distillate Rate 20 kgmole/h (44 lbmole/hr)
Go to the Monitor page of the Design tab and run the column.
Complete the following table with information from the simulation:
Distillate - Mole Bottoms - Mole

Component
Fraction Fraction
Methanol
Acetic Acid
Methyl Acetate
Water
Adding the Reaction

Another way to add reactions in HYSYS is through the Simulation
Environment.
Open the case OptReact.hsc The reaction occurring in this simulation is a Kinetic reaction,
CH3OH + CH3COOH = CH3CH3COO + H2O
1. From the Flowsheet menu, select Reaction Package.

2. From the Available Reactions group, press the Add Rxn button.
3. Select Kinetic from the list of reactions and press the Add
Reaction button.
4. Enter the stoichiometric coefficients on the Stoichiometry tab.
Remember that reactants are negative and products are positive.
5. Go to the Basis tab. The Base Component is methanol and the
RxnPhase is Liquid. Leave the Basis and Rate Units at their
default values.
6. On the Parameters tab, for the Forward Reaction enter the
Arrenhius Parameter as A=1.0e5, and for the Energy Parameter
E=2.3e4 kJ/kgmole (1.0e4 Btu/lbmole). The reaction status
should now be Ready. Close the view.
7. Add the Global Rxn Set to the Current Reaction Sets group by
pressing the Add Set button.
Adding the Reaction to the Column

In this case, the reaction occurs on stages 5 - 10 of the column. Reaction
Sets in HYSYS can be attached to any of the stages in the column,
including the Condenser, Reboiler and Side operations.
1. On the Reactions tab, press the New button. Enter the following
data:
2. Check the Active box on the ColumnReaction view. The default

column solver in HYSYS "HYSIM Inside-Out" is not capable of
The Sparse Continuation
handling reactions in the column. Therefore, HYSYS will change
Solver can be used for highly
non-ideal, unusual profiles, or the solver to Newton-Raphson Inside-Out.
otherwise difficult to converge 3. However, for this column, we need to use the Sparse
towers. It is good for Chemical Continuation Solver. Select this solver on the Solver page of the
Systems when Inside-Out is
not successful and for 3-Phase
Parameters page.
distillation. 4. Run the column. (The column may run automatically after the
solver is changed.)
5. Due to the substantial changes that were introduced as part of
adding the reaction to the column. The column may not solve.
On the Profiles page of the Parameters tab, enter a condenser
temperature estimate of 50 oC (122 oF), an estimate of 55 oC
(130 oF) for the 15th tray, and 100 oC (212 oF) for the Reboiler.
6. Rerun the column by pressing the Run button. The column
should now solve.
7. You can view the results on the Performance tab, and the
reaction results on the Reactions tab, Results page.
8. Complete the following table with information from the

simulation.
Distillate - Mole Bottoms - Mole

Component
Fraction Fraction
Methanol
Acetic Acid
Methyl Acetate
Water
Does the reaction inside the column have any effect on the
compositions of the product streams? __________
Save your case!
10

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Reactive Distillation 1

© 2000 AEA Technology plc - All Rights Reserved.

• Model reactive distillation columns

Building the Simulation

In the HYSYS component Enter the Simulation Environment.

In This Cell... Enter...

Stream Name Feed

Temperature 75°C (165°F)

Pressure 101.3 kPa (14.7 psia)

Molar Flow 45 kgmole/h (100 lbmole/hr)

Composition - Mole Fractions

Acetic Acid 0.4

Add the Distillation Column

In This Cell... Enter...

Column Name Reactive Distil

Feed Feed, Stage 10

Condenser Type Total

Ovhd Liquid Distillate

Bottoms Liquid Bottoms

Condenser Energy Cond Q

Reboiler Energy Reb Q

Delta P, Condenser 0 kPa (0 psi)

Condenser 90 kPa (13 psia)

Reboiler 97 kPa (14 psia)

Distillate Rate 20 kgmole/h (44 lbmole/hr)

Distillate - Mole Bottoms - Mole

Adding the Reaction

CH3OH + CH3COOH = CH3CH3COO + H2O

1. From the Flowsheet menu, select Reaction Package.

Adding the Reaction to the Column

2. Check the Active box on the ColumnReaction view. The default

8. Complete the following table with information from the

Distillate - Mole Bottoms - Mole

Save your case!

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