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Avtometriya

2021 year, number 6

ALGORITHM FOR SOLVING THE MULTI-PURPOSE OPTIMIZATION PROBLEM BASED ON THE KINETIC REACTION MODEL

E.V. Antipina1, S.A. Mustafina2, A.F. Antipin1
1Sterlitamak Branch of the Bashkir State University, Sterlitamak, Russia
2Bashkir State University, Ufa, Russia
Keywords: multipurpose optimization, genetic algorithms, Pareto-optimal solution, thiol aminomethylation reaction

Abstract

The article is devoted to the development of a numerical algorithm for determining the optimal regime parameters of a chemical process. The statement of the problem of multi-purpose optimization of the chemical process conditions is formulated in the general form. To solve this problem, a genetic algorithm is presented. The algorithm is based on the FFGA method, which allows one to determine many Pareto-optimal solutions. A computational experiment is carried out for the thiol aminomethylation reaction in order to determine the optimum temperature and reaction time, ensuring the maximum conversion of the starting materials and the maximum selectivity of the formation of the target reaction product.