Chemical Reactions Modeling

Many of the processes encountered within the chemical industry involve reactions of various types. These may be combustion-type reactions of a gaseous fuel to generate heat; or they may be reactions between species (a few or many), specifically to create other species. These latter reactions may be exothermic or endothermic. Other reactions make take place between species in one phase and species in another.

The ANSYS CFX software has a generic reaction functionality for reactions taking place within a single phase. This allows the user to create mixtures of many species, with as many individual reactions as necessary between the species. These reactions may have forward and backward rates and also third body terms. Reactions can be controlled just from the chemistry, by the turbulence in the flow, or by a combination of both.

Additionally, the particle transport model in the ANSYS CFX software allows reactions between species in particles and species in the surrounding fluid. Simple Arrhenius reactions can be set up directly, while more complex reactions are set up using a simple Fortran interface.

Packed Bed Reactor - ANSYS CFX

Horizontal cross section of a radial-flow packed-bed reactor with cooling tubes.
Courtesy of Haldor Topsøe A/S.