Solving the problem of planning a chemical experiment based on genetic algorithms

Abstract The article is devoted to the task of planning an experiment in chemistry and chemical technology. The problem statement of finding the optimal ratio of the initial substances of reaction is defined. A genetic algorithm for solving this problem is proposed. The algorithm is tested on the ex...

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Bibliographic Details
Published inJournal of physics. Conference series Vol. 1745; no. 1; p. 12045
Main Authors Antipina, E V, Mustafina, S A, Antipin, A F, Mustafina, S I
Format Journal Article
LanguageEnglish
Published Bristol IOP Publishing 01.02.2021
Subjects
Chemical technology
Genetic algorithms
Physics
Reaction products
Reagents
Thiols
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Summary:Abstract The article is devoted to the task of planning an experiment in chemistry and chemical technology. The problem statement of finding the optimal ratio of the initial substances of reaction is defined. A genetic algorithm for solving this problem is proposed. The algorithm is tested on the example of the reaction of aminomethylation of thiols using tetramethylmethanediamine. The optimal initial concentrations of reagents are calculated to obtain the maximum yield of the target reaction product.
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/1745/1/012045