Design of a chemical kinetics software for kinetic parameter estimation and model discrimination

In this work a software has been developed to estimate the kinetic parameters of kinetic models. The parameters are estimated using the non-linear regression algorithm applied to experimental results. The software is capable of handling various kinetic models such as Power Law and Langmuir-Hinshelwood-Hougen-Watson. Upon estimation of kinetic parameters, different kinetic models are judged for their estimation of experimental rates of reactions. The discrimination algorithm is based on the Barttlet’s χ2 test.

Keywords:

Kinetic software , kinetic models , parameter estimation , model discrimination