Recently I started using IDAES for simulating chemical engineering processes. For my first example, I choose a CSTR at steady state.
For the following reaction:
$$A \rightarrow B$$
The mass balance equation for \(A\) is:
$$FC_{A,out} = FC_{A,in} - V \cdot k \cdot C_{A,out}$$
Where:
- \(F\) is the total volumetric flow.
- \(C_{A}\) is the concentration of component A.
- \(V\) is the volume.
- \(k\) is the kinetic constant for a first-order reaction.
The algebraic solution for the value of concentration at the outlet is:
$$C_{A,out} = \frac{C_{A,in}}{1 + (kV/F)}$$
Data
Besides the \(A\) and \(B\) components, an inert \(C\) component was added as a solvent. The data for the simulation is:
$$F_{A,inlet} = 50 \text{ mol/s}$$
$$F_{B,inlet} = 0 \text{ mol/s}$$
$$F_{C,inlet} = 450 \text{ mol/s}$$
Whereas the CSTR and the reaction are defined by the following values:
$$V = 5 \text{ m}^3$$
$$k = 1e-4 \text{1/s}$$
The result for the concentration at the outlet is:
$$C_{A,oulet}=34483 \text{ mol/s}$$
The notebook with the implementation, and the required properties and reaction properties files can be found here:
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