Background: Reaction engineering and combustion processes are often characterized by a complex interaction of transport and chemical kinetics. The chemistry may include gas phase as well as surface chemistry. Our approach to study these systems (e.g. catalytic reactors and burners etc.) consists in the coupling of detailed models for transport, gas phase and surface chemistry. The chemistry is modeled by elementary reactions on a molecular level in the gas phase as well as on the surface. Several computational tools have been developed.

Computer codes:

 DETCHEM  Computer Package for DETailed CHEMistry models in CFD
 
Additional Codes