How to Benefit from CFD Simulation

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Siemens Industry Software GmbH Digital Factory Division

Surface Chemistry Formulation

An important class of detailed chemistry simulations is surface chemistry. These are reactions in which the reactants are initially adsorbed onto a surface medium that acts as a catalyst for the reaction; after the reaction, the products are desorbed and the surface is left unchanged. Surface chemistry can be modeled either with detailed chemistry formulations using the stiff differential equation solver in the simulation software, or using just at global reaction mechanisms.

Designing Packed Bed Reactors

One application where surface chemistry is important is designing packed bed reactors, which consist of tubes filled with a packing material impregnated with catalysts to improve contact between two phases in the reaction. Modeling of such reactors provides critical insights into heat transfer if generation of representative random packing, and contact resolution in meshing can be done efficiently and accurately.

The simulation software provides an automated way to model and simulate packed bed reactors. Through a graphical user interface, the designer can specify geometry conditions, particle properties, wall properties, particle-to-particle interactions as well as other fluid properties, and heat transfer simulations.

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