Tools for Kinetics & Combustion Kinetic Modeling

  Here are introductions of simple software tools for chemical kinetics and combustion reaction kinetic modeling.

GPOP

Gaussian post processor for rate coefficient calculation based on the transition-state theory and thermodynamics

SSUMES

Calculation of rate coefficients for steady-state dissociation/isomerization and chemically activated reactions based on the RRKM theory

BEx1D

1-D Schrödinger equation solver (by basis-set expansion)

KUCRS

Utility softwares for the construction of chemical kinetic models for hydrocarbon oxidation