REACTION

REACTION application is used to automatically generate complete viable oxidative hydrocarbon mechanisms in a form that can be readily used in numeric simulations.

The key to the generation process is the extensive set of, user modifiable, reaction classes, generic descriptions of a reactive process. Within the database are about a thousand classes already defined.

The goal of the system is to assist in the modeling of complex chemical processes such as combustion. REACTION enables both 'numeric' and 'symbolic' analysis of mechanisms. The major portion of the numeric analysis results from an interface to the symbolic methods involve graph theoretical and network analysis techniques.  The main use of this tool is to analyse and compare the chemistry within mechansisms of molecules of different structure.