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Reactor (CSTR)

The document outlines a simulation process for determining the reactor volume needed to achieve 90% conversion of 2-butene isomers in a continuous stirred tank reactor (CSTR). It details the steps for setting up the simulation, including defining components, reactions, and parameters, and concludes that a residence time of approximately 39 minutes is required to reach the desired conversion. The analysis highlights the impact of back-mixing in CSTRs on reaction rates compared to other reactor types.

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6 views11 pages

Reactor (CSTR)

The document outlines a simulation process for determining the reactor volume needed to achieve 90% conversion of 2-butene isomers in a continuous stirred tank reactor (CSTR). It details the steps for setting up the simulation, including defining components, reactions, and parameters, and concludes that a residence time of approximately 39 minutes is required to reach the desired conversion. The analysis highlights the impact of back-mixing in CSTRs on reaction rates compared to other reactor types.

Uploaded by

hocnguyen110623
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© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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SIMULATION: REACTOR (CSTR)

1. Lesson Objectives
Use chemical reaction kinetics to calculate the reactor volume required to reach a
desired conversion in a CSTR

2. Background
2-Butene is a four-carbon alkene that exists as two geometric isomers: cis-2-
butene and trans-2-butene. The irreversible liquid phase isomerization reaction with
1st order reaction kinetics is shown below.

Homogeneous reaction

Figure: Homogeneous Reaction

3. Problem
It is desired to determine the residence time required to reach 90% reaction
conversion in a continuous stirred tank reactor. Assume steady state.

Solution:
Analytic solution
Figure: Analytic solution

—
4. Proceeding to simulate the process:
- Step 1: Create a component list. Add cis2-Butene and tr2- Butene to the component
list. By changing the Search by criteria to Formula and search for C4H8

Figure: Component List

- Step 2: Define property package. Select NRTL

Figure: Fluid Package

- Step 3: Go to the Reactions and Add Reaction with the following data. Rxn-1
window, add cis2- Butene and tr2-Butene to the component column, and assign Stoich
Coeffs of -1 and 1, respectively. In the Forward Reaction section, set A to be 0.23000
and both E and B to 0.00000. Make sure that the Base Units and Rate Units are
lbmole/ft3 and lbmole/ft3-min, respectively.

Figure: Reactions

Figure: Kinetic Reaction

- Step 4: Attach the reaction to a fluid package. In the Set-1 (Reaction Set) form, click
Add to FP and select Basis- 1.
Figure: Reaction Set

- Step 5: Go to the simulation environment. Click Simulation button

- Step 6: Start simulating with a CSTR from Model Pallette. Then enter stream name
and and parameters for the Reactor as shown in the given pictures
Figure: CSTR

Figure 10. 1: Reactions in CSTR


Figure: Worksheet in CSTR

Figure: Input Composition for Feed


Figure: Parametres in CSTR

- Step 7: After entering enough data the Reactor converges, then we continuously add
adjust to adjust the reactor volume in order to achieve a reaction conversion of
90%with the following information
Figure: Adjust
Figure: Parametres in Adjust

- Step 8: Add a Spreadsheet with the following data. Import variables: B1: the Tank
Volume of CSTR-100, B2: Actual Volume Flow of stream LIQ-Product. In cell B3
enter the following formula: = (B1/B2)*60.
Figure: Spreadsheet

5. Conclusions
The analysis indicates that achieving a 90% reaction conversion in a CSTR
requires a residence time of approximately 39 minutes. This value was consistently
determined by both the analytical solution and Aspen HYSYS design specifications.
The extended residence time in a CSTR, compared to batch reactors or plug flow
reactors (PFR), results from back-mixing. In a CSTR, the mixing of product with the
incoming feed dilutes the reactants, which slows the reaction rate and thus lengthens
the residence time needed to reach the desired conversion.

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