Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review
Kinetic Modeling of Isobutane Alkylation with Mixed C4 Olefins and Sulfuric Acid as a Catalyst Using the Asynchronous Global Optimization Algorithm. / Gubaydullin, Irek; Enikeeva, Leniza; Barkalov, Konstantin et al.
Parallel Computational Technologies - 16th International Conference, PCT 2022, Revised Selected Papers. ed. / Leonid Sokolinsky; Mikhail Zymbler. Springer Science and Business Media Deutschland GmbH, 2022. p. 293-306 20 (Communications in Computer and Information Science; Vol. 1618 CCIS).Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review
}
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 -
ID: 36728412