Standard

Parallel Global Search Algorithm for Optimization of the Kinetic Parameters of Chemical Reactions. / Gubaydullin, Irek; Enikeeva, Leniza; Barkalov, Konstantin et al.

Supercomputing - 7th Russian Supercomputing Days, RuSCDays 2021, Revised Selected Papers. ed. / Vladimir Voevodin; Sergey Sobolev. 1. ed. Springer Science and Business Media Deutschland GmbH, 2021. p. 198-211 (Communications in Computer and Information Science; Vol. 1510 CCIS).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review

Harvard

Gubaydullin, I, Enikeeva, L, Barkalov, K & Lebedev, I 2021, Parallel Global Search Algorithm for Optimization of the Kinetic Parameters of Chemical Reactions. in V Voevodin & S Sobolev (eds), Supercomputing - 7th Russian Supercomputing Days, RuSCDays 2021, Revised Selected Papers. 1 edn, Communications in Computer and Information Science, vol. 1510 CCIS, Springer Science and Business Media Deutschland GmbH, pp. 198-211, 7th Russian Supercomputing Days Conference, RuSCDays 2021, Moscow, Russian Federation, 27.09.2021. https://doi.org/10.1007/978-3-030-92864-3_16

APA

Gubaydullin, I., Enikeeva, L., Barkalov, K., & Lebedev, I. (2021). Parallel Global Search Algorithm for Optimization of the Kinetic Parameters of Chemical Reactions. In V. Voevodin, & S. Sobolev (Eds.), Supercomputing - 7th Russian Supercomputing Days, RuSCDays 2021, Revised Selected Papers (1 ed., pp. 198-211). (Communications in Computer and Information Science; Vol. 1510 CCIS). Springer Science and Business Media Deutschland GmbH. https://doi.org/10.1007/978-3-030-92864-3_16

Vancouver

Gubaydullin I, Enikeeva L, Barkalov K, Lebedev I. Parallel Global Search Algorithm for Optimization of the Kinetic Parameters of Chemical Reactions. In Voevodin V, Sobolev S, editors, Supercomputing - 7th Russian Supercomputing Days, RuSCDays 2021, Revised Selected Papers. 1 ed. Springer Science and Business Media Deutschland GmbH. 2021. p. 198-211. (Communications in Computer and Information Science). doi: 10.1007/978-3-030-92864-3_16

Author

Gubaydullin, Irek ; Enikeeva, Leniza ; Barkalov, Konstantin et al. / Parallel Global Search Algorithm for Optimization of the Kinetic Parameters of Chemical Reactions. Supercomputing - 7th Russian Supercomputing Days, RuSCDays 2021, Revised Selected Papers. editor / Vladimir Voevodin ; Sergey Sobolev. 1. ed. Springer Science and Business Media Deutschland GmbH, 2021. pp. 198-211 (Communications in Computer and Information Science).

BibTeX

@inproceedings{5a8a0253fcb744aabbeaa8e56243c41f,
title = "Parallel Global Search Algorithm for Optimization of the Kinetic Parameters of Chemical Reactions",
abstract = "The paper considers the application of parallel computing technology to the simulation of a catalytic chemical reaction, which is widely used in the modern chemical industry to produce synthesis gas. As a chemical reaction, the process of pre-reforming propane on a Ni catalyst is assumed. To simulate a chemical process, it is necessary to develop a kinetic model of the process, that is, to determine the kinetic parameters. To do this, the inverse problem of chemical kinetics is solved, which predicts the values of 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 information-statistical global search algorithm was used to solve it. The use of the parallel algorithm has 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 pre-reforming propane on a Ni-catalyst.",
keywords = "Chemical kinetics, Global optimization, Inverse problems, Multiextremal functions, Parallel computing",
author = "Irek Gubaydullin and Leniza Enikeeva and Konstantin Barkalov and Ilya Lebedev",
note = "Funding Information: Acknowledgments. This study was supported by the Russian Science Foundation, project No. 21-11-00204 and by RFBR, project No. 19-37-60014. Publisher Copyright: {\textcopyright} 2021, Springer Nature Switzerland AG.; 7th Russian Supercomputing Days Conference, RuSCDays 2021 ; Conference date: 27-09-2021 Through 28-09-2021",
year = "2021",
doi = "10.1007/978-3-030-92864-3_16",
language = "English",
isbn = "978-3-030-92863-6",
series = "Communications in Computer and Information Science",
publisher = "Springer Science and Business Media Deutschland GmbH",
pages = "198--211",
editor = "Vladimir Voevodin and Sergey Sobolev",
booktitle = "Supercomputing - 7th Russian Supercomputing Days, RuSCDays 2021, Revised Selected Papers",
address = "Germany",
edition = "1",

}

RIS

TY - GEN

T1 - Parallel Global Search Algorithm for Optimization of the Kinetic Parameters of Chemical Reactions

AU - Gubaydullin, Irek

AU - Enikeeva, Leniza

AU - Barkalov, Konstantin

AU - Lebedev, Ilya

N1 - Funding Information: Acknowledgments. This study was supported by the Russian Science Foundation, project No. 21-11-00204 and by RFBR, project No. 19-37-60014. Publisher Copyright: © 2021, Springer Nature Switzerland AG.

PY - 2021

Y1 - 2021

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 chemical industry to produce synthesis gas. As a chemical reaction, the process of pre-reforming propane on a Ni catalyst is assumed. To simulate a chemical process, it is necessary to develop a kinetic model of the process, that is, to determine the kinetic parameters. To do this, the inverse problem of chemical kinetics is solved, which predicts the values of 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 information-statistical global search algorithm was used to solve it. The use of the parallel algorithm has 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 pre-reforming propane on a Ni-catalyst.

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 chemical industry to produce synthesis gas. As a chemical reaction, the process of pre-reforming propane on a Ni catalyst is assumed. To simulate a chemical process, it is necessary to develop a kinetic model of the process, that is, to determine the kinetic parameters. To do this, the inverse problem of chemical kinetics is solved, which predicts the values of 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 information-statistical global search algorithm was used to solve it. The use of the parallel algorithm has 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 pre-reforming propane on a Ni-catalyst.

KW - Chemical kinetics

KW - Global optimization

KW - Inverse problems

KW - Multiextremal functions

KW - Parallel computing

UR - http://www.scopus.com/inward/record.url?scp=85123320645&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/a4f7c611-1dfc-3b8c-899b-3c183364d328/

U2 - 10.1007/978-3-030-92864-3_16

DO - 10.1007/978-3-030-92864-3_16

M3 - Conference contribution

AN - SCOPUS:85123320645

SN - 978-3-030-92863-6

T3 - Communications in Computer and Information Science

SP - 198

EP - 211

BT - Supercomputing - 7th Russian Supercomputing Days, RuSCDays 2021, Revised Selected Papers

A2 - Voevodin, Vladimir

A2 - Sobolev, Sergey

PB - Springer Science and Business Media Deutschland GmbH

T2 - 7th Russian Supercomputing Days Conference, RuSCDays 2021

Y2 - 27 September 2021 through 28 September 2021

ER -

ID: 35347232