Solving inverse problems of chemical kinetics by metaheuristic methods

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Solving inverse problems of chemical kinetics by metaheuristic methods. / Enikeeva, L. V.; Gubaydullin, I. M.; Agzamova, M. R.

In: Reaction Kinetics, Mechanisms and Catalysis, Vol. 135, No. 1, 02.2022, p. 123-133.

Research output: Contribution to journal › Article › peer-review

Harvard

Enikeeva, LV, Gubaydullin, IM & Agzamova, MR 2022, 'Solving inverse problems of chemical kinetics by metaheuristic methods', Reaction Kinetics, Mechanisms and Catalysis, vol. 135, no. 1, pp. 123-133. https://doi.org/10.1007/s11144-022-02153-6

APA

Enikeeva, L. V., Gubaydullin, I. M., & Agzamova, M. R. (2022). Solving inverse problems of chemical kinetics by metaheuristic methods. Reaction Kinetics, Mechanisms and Catalysis, 135(1), 123-133. https://doi.org/10.1007/s11144-022-02153-6

Vancouver

Enikeeva LV, Gubaydullin IM, Agzamova MR. Solving inverse problems of chemical kinetics by metaheuristic methods. Reaction Kinetics, Mechanisms and Catalysis. 2022 Feb;135(1):123-133. doi: 10.1007/s11144-022-02153-6

Author

Enikeeva, L. V. ; Gubaydullin, I. M. ; Agzamova, M. R. / Solving inverse problems of chemical kinetics by metaheuristic methods. In: Reaction Kinetics, Mechanisms and Catalysis. 2022 ; Vol. 135, No. 1. pp. 123-133.

BibTeX

@article{d1b3532f1e5949b28ea9539e6207f131,

title = "Solving inverse problems of chemical kinetics by metaheuristic methods",

abstract = "The paper continues the cycle of works devoted to the development of a bank of meta-heuristic methods for solving conditional global optimization problems that arise when solving inverse problems of chemical kinetics. This work discusses the process of sulfuric acid alkylation of isobutane with olefins. Sulfuric acid alkylation of isobutane with olefins allows the processing of butane-butylene fraction to obtain a high-octane component of motor gasoline with a minimum content of aromatic hydrocarbons that does not contain benzene. The main schemes of transformations of sulfuric acid alkylation of isobutane by olefins, probable from the point of view of thermodynamics, are considered. Based on the literary analysis of possible transformation schemes, the mechanism of the process and on the basis of literary data, a mathematical model of the reactor unit of the process was developed and kinetic parameters were determined. Calculations were carried out to find the optimal ratio of isobutane:olefin in raw materials to increase the yield of the target and reduce the yield of by-products of the sulfuric acid alkylation of isobutane by olefins.",

keywords = "Inverse problems of chemical kinetics, Kinetic model, Mathematical modeling, Sulfuric acid alkylation",

author = "Enikeeva, {L. V.} and Gubaydullin, {I. M.} and Agzamova, {M. R.}",

note = "Funding Information: The reported study on numerical solution was funded by RFBR under the Project Number 19-37-60014. Publisher Copyright: {\textcopyright} 2022, Akad{\'e}miai Kiad{\'o}, Budapest, Hungary.",

year = "2022",

month = feb,

doi = "10.1007/s11144-022-02153-6",

language = "English",

volume = "135",

pages = "123--133",

journal = "Reaction Kinetics, Mechanisms and Catalysis",

issn = "1878-5190",

publisher = "Springer Netherlands",

number = "1",

}

RIS

TY - JOUR

T1 - Solving inverse problems of chemical kinetics by metaheuristic methods

AU - Enikeeva, L. V.

AU - Gubaydullin, I. M.

AU - Agzamova, M. R.

PY - 2022/2

Y1 - 2022/2

N2 - The paper continues the cycle of works devoted to the development of a bank of meta-heuristic methods for solving conditional global optimization problems that arise when solving inverse problems of chemical kinetics. This work discusses the process of sulfuric acid alkylation of isobutane with olefins. Sulfuric acid alkylation of isobutane with olefins allows the processing of butane-butylene fraction to obtain a high-octane component of motor gasoline with a minimum content of aromatic hydrocarbons that does not contain benzene. The main schemes of transformations of sulfuric acid alkylation of isobutane by olefins, probable from the point of view of thermodynamics, are considered. Based on the literary analysis of possible transformation schemes, the mechanism of the process and on the basis of literary data, a mathematical model of the reactor unit of the process was developed and kinetic parameters were determined. Calculations were carried out to find the optimal ratio of isobutane:olefin in raw materials to increase the yield of the target and reduce the yield of by-products of the sulfuric acid alkylation of isobutane by olefins.

AB - The paper continues the cycle of works devoted to the development of a bank of meta-heuristic methods for solving conditional global optimization problems that arise when solving inverse problems of chemical kinetics. This work discusses the process of sulfuric acid alkylation of isobutane with olefins. Sulfuric acid alkylation of isobutane with olefins allows the processing of butane-butylene fraction to obtain a high-octane component of motor gasoline with a minimum content of aromatic hydrocarbons that does not contain benzene. The main schemes of transformations of sulfuric acid alkylation of isobutane by olefins, probable from the point of view of thermodynamics, are considered. Based on the literary analysis of possible transformation schemes, the mechanism of the process and on the basis of literary data, a mathematical model of the reactor unit of the process was developed and kinetic parameters were determined. Calculations were carried out to find the optimal ratio of isobutane:olefin in raw materials to increase the yield of the target and reduce the yield of by-products of the sulfuric acid alkylation of isobutane by olefins.

KW - Inverse problems of chemical kinetics

KW - Kinetic model

KW - Mathematical modeling

KW - Sulfuric acid alkylation

UR - http://www.scopus.com/inward/record.url?scp=85122524514&partnerID=8YFLogxK

U2 - 10.1007/s11144-022-02153-6

DO - 10.1007/s11144-022-02153-6

M3 - Article

AN - SCOPUS:85122524514

VL - 135

SP - 123

EP - 133

JO - Reaction Kinetics, Mechanisms and Catalysis

JF - Reaction Kinetics, Mechanisms and Catalysis

SN - 1878-5190

IS - 1

ER -

ID: 35199225