Modeling of chemical kinetics in gases

Abstract

Some temperature dependences of reaction rate constants have been derived from the laws of quantum mechanics. Chemical reference data have been revealed to be usually dissatisfied with these laws. It is shown how similar reference data should be corrected. The constants for the kinetics of hydrogen combustion in oxygen are corrected as an example. A specialized method for the numerical solution of chemical kinetics problems has been developed. It represents an explicit algorithm, which appreciably surpasses the known methods in simplicity, precision, and robustness.