Mathematical modeling and computational aspects of multi-criteria optimization of the conditions of the laboratory catalytic reaction
K.F. Koledina1,2, I.M. Gubaydullin1,2, S.N. Koledin2
1Institute of Petrochemistry and Catalysis of RAS, Ufa, Russia
2Ufa State Petroleum Technological University, Ufa, Russia
Keywords: multicriteria optimization, kinetic model, benzylalkyl ethers, molar ratios of initial reagents, Pareto approximation
Abstract
Based on the previously developed kinetic model of the catalytic reaction of the synthesis of benzylalkyl ethers, two- and three-criteria optimization of the conditions was carried out. The problem of multicriteria optimization is formulated with the definition of variable parameters: reaction temperature, proportionality coefficient of the starting reagents, reaction time; optimality criteria: yield of a target and by-products; restrictions on variable parameters. The computational aspects of multicriteria optimization by a grid algorithm (sensing) are examined. The calculated front values (optimality criteria) and Pareto sets (variable parameters) determine the exhaustive values of the reaction conditions and allow the decision maker to choose the most optimal ones. This made it possible to give technological recommendations for the industrial implementation of the synthesis of a benzyl butyl ether in the presence of a metal complex catalyst with a maximum yield of target products and a minimum content of by-products.
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