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Liquid Chemical Reactions Modeling ANSYS Fluent

Liquid chemical Reactions Modeling ANSYS Fluent

Simulation of Liquid Reactions in CIJR with Unsteady Laminar Flamelet Model

In this tutorial, we provide guidelines for modeling and simulation of liquid chemical reactions using the unsteady laminar flamelet model.

Chemical kinetics and low species diffusivity (or high Schmidt number) are the main characteristics of Liquid Chemical Reactions. Therefore, fast chemistry models such as the non-premixed equilibrium model, steady laminar flamelet model, and the eddy-dissipation model are not able to produce accurate results. Low molecular diffusion especially for reactors at low Reynolds number, results in mixing and high species variance.

Finite rate chemistry models, especially the laminar finite-rate and eddy dissipation concept (EDC) model cannot explain the turbulence-chemistry interaction and are not able to predict conversion, selectivity, and scale-up accurately. The PDF transport model is suitable for simulating both the finite-rate chemistry and the low diffusivity of the species. However, the computational cost of this model is very high, because it entails using particle based methods like Monte-Carlo methods.

You will also learn how to do the following through this tutorial:

  • Modeling liquid chemical reactions in CIJR
  • Using unsteady laminar flamelet model with liquid micromixing
  • How to import CHEMKIN mechanism
  • Solving the problem with steady and unsteady flamelet models
  • Also, analyzing the results

Problem Description of Liquid Chemical Reactions Modeling

As it mentioned, the unsteady laminar flamelet model can simulate both the slow chemistry and the reduced mixing due to the low diffusivity. We can also reduce the run time by performing kinetic calculations for one dimension. When we use micro-mixing model, ANSYS Fluent assumes that the activation energy for the reaction is small. Therefore, the reaction starts shortly after mixing.

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