Constructing the aggregated inverse kinetic problems for complex chemical reactions using the index method of global optimization

Abstract

This work continues the research on mathematical identification of chemical and technological parameters of the reactions of metal complex catalysis. Mathematical models of complex chemical reactions have unknown kinetic parameters (rate constants and activation energies of elementary stages) that can be found by solving the inverse problem of minimizing the deviation between the calculated and experimental data. It is proposed to use a new method to determine the activation energies of elementary reactions stages. The method consists in constructing and solving the aggregated inverse problem for processing several experiments conducted at different temperatures. This technique makes it possible to keep the dimension of the aggregated inverse problem constant regardless of the number of experiments. Also it lets to take into account the dependence of kinetic parameters on temperature.