title: Algorithm for Optimizing the Initial Conditions for a Chemical Reaction Based on a Kinetic Model
metadata.name: dc.contributor.author
metadata.value: Antipina, Evgenia Viktorovna
metadata.lang: -
metadata.name: dc.contributor.author
metadata.value: Mustafina, Svetlana Anatolievna
metadata.lang: -
metadata.name: dc.contributor.author
metadata.value: Antipin, Andrey Fedorovich
metadata.lang: -
metadata.name: dc.date.accessioned
metadata.value: 2024-01-10T11:40:32Z
metadata.lang: -
metadata.name: dc.date.available
metadata.value: 2024-01-10T11:40:32Z
metadata.lang: -
metadata.name: dc.date.issued
metadata.value: 2023-12
metadata.lang: -
metadata.name: dc.identifier.other
metadata.value: https://doi.org/10.21638/11701/spbu35.2023.401
metadata.lang: -
metadata.name: dc.identifier.uri
metadata.value: http://hdl.handle.net/11701/44570
metadata.lang: -
metadata.name: dc.description.abstract
metadata.value: A numerical algorithm has been developed to search for the optimal values of the concentrations of chemical reaction reagents. The statement of the problem of determining the optimal initial concentrations of the initial substances on the basis of the kinetic model of the reaction, which is a system of ordinary differential equations, is formulated. To solve the problem, a genetic algorithm with real coding is given. The algorithm is modified taking into account the restriction on the values of the initial concentrations and the condition imposed on the total initial concentration of the reagents. A computational experiment was carried out for the reaction of the synthesis of benzyl butyl ether under the action of copper-containing catalysts. The initial concentrations of the initial substances are determined at which the highest values of the concentrations of the target reaction products are achieved.
metadata.lang: en_GB
metadata.name: dc.description.sponsorship
metadata.value: This research was funded by the Ministry of Science and Higher Education of the Russian Federation (scientific code FZWU-2023-0002).
metadata.lang: en_GB
metadata.name: dc.language.iso
metadata.value: ru
metadata.lang: en_GB
metadata.name: dc.publisher
metadata.value: St Petersburg State University
metadata.lang: en_GB
metadata.name: dc.relation.ispartofseries
metadata.value: Differential Equations and Control Processes;Issue 4
metadata.lang: -
metadata.name: dc.subject
metadata.value: genetic algorithm
metadata.lang: en_GB
metadata.name: dc.subject
metadata.value: optimal initial concentrations
metadata.lang: en_GB
metadata.name: dc.subject
metadata.value: reaction kinetic model
metadata.lang: en_GB
metadata.name: dc.subject
metadata.value: optimization problem
metadata.lang: en_GB
metadata.name: dc.subject
metadata.value: reaction conditions
metadata.lang: en_GB
metadata.name: dc.title
metadata.value: Algorithm for Optimizing the Initial Conditions for a Chemical Reaction Based on a Kinetic Model
metadata.lang: en_GB
metadata.name: dc.type
metadata.value: Article
metadata.lang: en_GB
resources.filename: 1-13.pdf
resources.url: https://dspace.spbu.ru/bitstream/11701/44570/1/1-13.pdf
resources.format: Adobe PDF
resources.size: 650,67 kB