DefinePK

Abstract

The article is devoted to the problem of developing methods for mathematical modeling in the sphere of optimal planning in a chemical experiment. In the article, the problem of finding the optimal ratio for initial concentrations of substances is formulated in general terms and an algorithm for solving this problem is constructed basing on the method of artificial immune systems. The developed algorithm for finding the optimal initial concentrations of substances allows solving the problem of experiment planning in chemistry at the computational experiment stage. In this case, the solution of the optimization problem found with its help does not depend on the choice of the initial approximation. The algorithm was tested for industrially meaningful process of benzilidenbenzilamin synthesis for which the optimum values of the initial concentrations were calculated in order to obtain maximum yield of the reaction product.