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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Published in | Journal of physics. Conference series Vol. 1745; no. 1; p. 12045 |
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Main Authors | , , , |
Format | Journal Article |
Language | English |
Published |
Bristol
IOP Publishing
01.02.2021
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Subjects | |
Online Access | Get full text |
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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. |
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ISSN: | 1742-6588 1742-6596 |
DOI: | 10.1088/1742-6596/1745/1/012045 |