Graph-Theoretic Interpretation of Inverse Problems of Chemical Kinetics

Resumo

The subject of this study is the inverse problems of identifying the mechanisms of complex chemical reactions. A graph-theoretic method for determining the basis of the parametric functions of the kinetic parameters of mathematical models for complex catalytic reactions is proposed. Based on the developed algorithm, a program for analyzing the information content of a mathematical model of the mechanism of catalytic reactions has been implemented. The operation of the algorithm is illustrated by the reaction of isotopic exchange of protium for deuterium.