TY - GEN

T1 - Kinetic Modeling of Isobutane Alkylation with Mixed C4 Olefins and Sulfuric Acid as a Catalyst Using the Asynchronous Global Optimization Algorithm

AU - Gubaydullin, Irek

AU - Enikeeva, Leniza

AU - Barkalov, Konstantin

AU - Lebedev, Ilya

AU - Silenko, Dmitry

N1 - Publisher Copyright: © 2022, The Author(s), under exclusive license to Springer Nature Switzerland AG.

PY - 2022

Y1 - 2022

N2 - The paper considers the application of parallel computing technology to the simulation of a catalytic chemical reaction, which is widely used in the modern automobile industry to produce gasoline with a high octane number. As a chemical reaction, the process of alkylation of isobutane with mixed C4 olefins, catalyzed by sulfuric acid, is assumed. To simulate a chemical process, it is necessary to develop a kinetic model of the process, i.e., to determine the kinetic parameters. To do this, the inverse problem of chemical kinetics is solved; it predicts the values of the kinetic parameters based on laboratory data. From a mathematical point of view, the inverse problem of chemical kinetics is a global optimization problem. A parallel asynchronous information-statistical global search algorithm was used to solve it. The use of the asynchronous algorithm significantly reduced the search time to find the optimum. The found optimal parameters of the model made it possible to adequately simulate the process of alkylation of isobutane with mixed C4 olefins catalyzed by sulfuric acid.

AB - The paper considers the application of parallel computing technology to the simulation of a catalytic chemical reaction, which is widely used in the modern automobile industry to produce gasoline with a high octane number. As a chemical reaction, the process of alkylation of isobutane with mixed C4 olefins, catalyzed by sulfuric acid, is assumed. To simulate a chemical process, it is necessary to develop a kinetic model of the process, i.e., to determine the kinetic parameters. To do this, the inverse problem of chemical kinetics is solved; it predicts the values of the kinetic parameters based on laboratory data. From a mathematical point of view, the inverse problem of chemical kinetics is a global optimization problem. A parallel asynchronous information-statistical global search algorithm was used to solve it. The use of the asynchronous algorithm significantly reduced the search time to find the optimum. The found optimal parameters of the model made it possible to adequately simulate the process of alkylation of isobutane with mixed C4 olefins catalyzed by sulfuric acid.

KW - Chemical kinetics

KW - Global optimization

KW - Inverse problems

KW - Multi-extremal functions

KW - Parallel computing

UR - http://www.scopus.com/inward/record.url?scp=85135086814&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/4e2264f2-9a9f-303e-afdb-13c1e5c090c2/

U2 - 10.1007/978-3-031-11623-0_20

DO - 10.1007/978-3-031-11623-0_20

M3 - Conference contribution

AN - SCOPUS:85135086814

SN - 9783031116223

T3 - Communications in Computer and Information Science

SP - 293

EP - 306

BT - Parallel Computational Technologies - 16th International Conference, PCT 2022, Revised Selected Papers

A2 - Sokolinsky, Leonid

A2 - Zymbler, Mikhail

PB - Springer Science and Business Media Deutschland GmbH

T2 - 16th International Conference on Parallel Computational Technologies, PCT 2022

Y2 - 29 March 2022 through 31 March 2022

ER -