SEARCHING FOR THE OPTIMAL COMPOSITION OF THE REACTION MIXTURE USING A SIMULATED ANNEALING ALGORITHM
E. N. Miftakhov, D. V. Ivanov
Ufa University of Science and Technology, Ufa, Russia
Keywords: optimal initial composition, simulated annealing algorithm, genetic algorithm, gradient descent method, continuous optimization
Abstract
The problem of determining the optimal initial composition of the reaction mixture is formulated in general terms. A method for solving this problem based on the simulated annealing algorithm is described. Computational experiments are conducted for the Michaelis-Menten enzymatic reaction and the aminomethylation of thiols. Parameters for the efficient operation of the algorithm are selected. Using the proposed method, the optimal initial composition of the reaction mixture ensuring the maximum yield of the target product is identified. An analysis of the effectiveness of this algorithm is presented by comparing it with the results obtained from other optimization methods.
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