Scientific journal
Scientific Review. Technical science
ISSN 2500-0799
ПИ №ФС77-57440

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DEVELOPMENT OF KINETIC MODELS FOR THE COMPLEX CHEMICAL REACTIONS BY THE NETWORK OPERATOR

Gubaydullin I.M. 1 Diveev A.I. 2 Konstantinov S.V. 3 Sofronova E.A. 3
1 Institution of Petrochemistry and Catalysis of RAS
2 Institution of Russian Academy of Sciences Dorodnicyn Computing Centre of RAS
3 Peoples’ friendship university of Russia
A new method for the identification of mathematical models of complex chemical reactions is presented. The authors note that the principle of mass action in chemical kinetics doesn’t always describe the complex chemical reactions adequately, and for such cases suggest to use the network operator method. The network operator method is used to present a mathematical model in a matrix form. To find the optimal model authors use multicriterial variational genetic algorithm that searches on a set of small variations of given possible solutions. In the computational experiment it is considered a chemical reaction of olefine hydroalumination by organoaluminum compounds in the presence of a catalyst. Results of computational experiments show an adequate description of complex chemical reactions and confirm the effectiveness of the network operator method for deriving kinetic equations.