Multi-objective optimization of chemical reaction conditions based on a kinetic model

The main purpose of the study is to introduce the multi-objective optimization using Pareto approximations to problems of chemical kinetics. We report the setting up and solution of the multi-objective optimization problem for conditions of a chemical reaction on the basis of a kinetic model. The study addresses the reaction of alcohols with dimethyl carbonate catalyzed by cobalt or tungsten carbonyl. The objective functions for optimization of chemical reaction conditions based on a kinetic model are presented. The NSGA-II algorithm was applied to determine the Pareto set and front for the multi-objective optimization problem applied to the reaction of alcohols with dimethyl carbonate for two catalysts, which make it possible to find the compromise values of variable parameters providing extrema of the objective functions.