Automation of the information content analysis of kinetic parameters

详细

The aim of this work has been to automate the analysis of kinetic measurements in solving inverse problems in order to recognize the number and form of the independent combinations of reaction rate constants. Software for determining the basis of nonlinear parametric functions of the kinetic parameters of a mathematical model for the mechanism of a complex chemical reaction has been developed and described. The main stages of program construction with the use of a search algorithm for the independent combinations of the rate constants of elementary steps in the mechanism of a complex chemical reaction based on experimental data on the concentrations of reactants are considered.