A.I. Diveev - Dr. Sc. (Eng.), Professor, Head of Sector, FRC «Computer Science and Control» RAS (Moscow). E-mail: aidiveev@mail.ru I.M. Gubaidullin - Employee of FRC «Computer Science and Control» RAS (Moscow) S.V. Konstantinov - Employee of FRC «Computer Science and Control» RAS (Moscow) E.A. Sofronova - Employee of FRC «Computer Science and Control» RAS (Moscow)

A new method for the lookup 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.

 

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