RX-005H Revised: Oct 15, 2012

1. Lesson Objectives
Use Aspen HYSYS to determine whether a given reaction is technically feasible using three
continuous stirred tank reactors in series.

2. Prerequisites
Aspen HYSYS V8.0
Basic knowledge of reaction rate laws

3. Background
Consider the reversible liquid phase esterification of acetic acid shown below.

The examples presented are solely intended to illustrate specific concepts and principles. They may not
reflect an industrial application or real situation.

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4. Problem Statement and Aspen HYSYS Solution

It is desired to produce 375 kg/h of ethyl acetate product from a feed stream consisting of 13 mole % acetic acid,
35 mole % ethanol, and 52 mole % water. This feed stream is available at 100,000 kg/day. Three 2,600 L CSTRs
are available to use for this process. Determine if it is possibl e to achieve the desired production rate of ethyl
acetate by operating these three reactors in series.

4.01. Start Aspen HYSYS V8.0. Create a new simulation.

4.02. Create a component list. In the Component Lists folder select Add. Add Acetic-Acid, Ethanol, Ethyl-
Acetate, and Water to the component list.

4.03. Define property package. In the Fluid Packages folder select Add. Select NRTL as the property package.

4.04. Define reaction. In the Reactions folder select Add to create a new reaction set. In Set-1 select Add
Reaction and select Kinetic.

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4.05. Double click Rxn-1to define the kinetic reaction. Enter the following information and close the window
when complete. Be sure to specify the Rxn Phase as AqueousPhase.

4.06. Attach reaction to fluid package. Click Add to FP and select Basis-1.

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4.07. Go to the simulation environment by clicking the Simulation button in the bottom left corner of the
screen.

4.08. Place three CSTR blocks onto the flowsheet. Press F12 to open the UnitOps window. Select the
Reactors radio button and add three Continuous Stirred Tank Reactors to the flowsheet.

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4.09. Double click on the first reactor (CSTR-100). Create an Inlet stream called Feed and Outlet streams
called Vap1 and Liq1.

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4.10. In the Parameters form under the Design tab enter a Volume of 2.6 m3 (2600L), and enter a Liquid
Volume % of 100%.

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4.11. In the Reactions tab select Set-1 for Reaction Set.

4.12. In the Worksheet tab, for the Feed stream, enter a Temperature of 25C, a Pressure of 1 bar, and a
Mass Flow of 100,000 kg/day.

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4.13. In the Composition form enter Mole Fractions of 0.13 for Acetic Acid, 0.35 for Ethanol, 0 for Ethyl
Acetate, and 0.52 for water. When complete, the reactor should solve. You should note that the vapor
outlet has a mass flow of zero because the entire contents of the reactor are liquid.

4.14. Double click the second reactor (CSTR-101). Select Liq1 as the Inlet stream. Create Outlet streams
called Vap2 and Liq2.

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4.15. In the Parameters tab enter a Volume of 2.6 m3 and a Liquid Volume % of 100%.

4.16. In the Reactions tab, select Set-1 as the Reaction Set. The reactor should solve.

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4.17. Double click the third reactor (CSTR-102). Select Liq2 as the Inlet stream, and create Outlets called
Vap3 and Liq3.

4.18. In the Parameters form enter a Volume of 2.6 m3 and a Liquid Volume % of 100%.

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4.19. In the Reactions tab select Set-1 as the Reaction Set. The reactor should solve.

4.20. The flowsheet is now complete.

4.21. To check results right click on stream Liq3 and select Show Table. A table will appear on the flowsheet
showing Temperature, Pressure, and Molar Flow. Double click on the table and select Add Variable.

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4.22. Select the Master Comp Mass Flow and select E-Acetate. Click OK. The component mass flow of ethyl
acetate will be added to the table.

4.23. The mass flow of ethyl acetate in the final liquid stream is 672.55 kg/h, which is greater than the desired
flow rate specified in the problem statement. This shows that this reactor setup is capable of producing
the desired rate of product.

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