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On Solving the Problem of Finding Kinetic Parameters of Catalytic Isomerization of the Pentane-Hexane Fraction Using a Parallel Global Search Algorithm

Author

Listed:
  • Konstantin Barkalov

    (Department of Mathematical Software and Supercomputing Technologies, Lobachevsky State University of Nizhny Novgorod, Nizhny Novgorod 603950, Russia)

  • Irek Gubaydullin

    (Institute of Petrochemistry and Catalysis—Subdivision of the Ufa Federal Research Centre of RAS, Ufa 450075, Russia
    Department of Information Technology and Applied Mathematics, Ufa State Petroleum Technological University, Ufa 450064, Russia)

  • Evgeny Kozinov

    (Department of Mathematical Software and Supercomputing Technologies, Lobachevsky State University of Nizhny Novgorod, Nizhny Novgorod 603950, Russia)

  • Ilya Lebedev

    (Department of Mathematical Software and Supercomputing Technologies, Lobachevsky State University of Nizhny Novgorod, Nizhny Novgorod 603950, Russia)

  • Roza Faskhutdinova

    (Institute of Petrochemistry and Catalysis—Subdivision of the Ufa Federal Research Centre of RAS, Ufa 450075, Russia
    Department of Information Technology and Applied Mathematics, Ufa State Petroleum Technological University, Ufa 450064, Russia)

  • Azamat Faskhutdinov

    (Institute of Petrochemistry and Catalysis—Subdivision of the Ufa Federal Research Centre of RAS, Ufa 450075, Russia)

  • Leniza Enikeeva

    (Department of Information Technology and Applied Mathematics, Ufa State Petroleum Technological University, Ufa 450064, Russia
    Department of Natural Sciences, Novosibirsk State University, Novosibirsk 630090, Russia)

Abstract

This article is devoted to the problem of developing a kinetic model of a complex chemical reaction using a parallel optimization method. The design of the kinetic model consists of finding the kinetic parameters of the reaction, which cannot be calculated analytically, and since the chemical reaction involves many stages, the optimization problem is multiextremal. As a chemical reaction, the process of catalytic isomerization of the pentane-hexane fraction is considered, which is now important due to the switch of the oil refining industry to the production of gasoline corresponding to the Euro-5 standard. On the basis of known industrial data on the concentrations of reaction components and the temperature at the outlet of the third reactor, the activation energies and pre-exponential factors of each reaction stage were calculated. To solve the optimization problem, the authors developed a parallel global search algorithm and a program based on Lipschitz optimization. The kinetic parameters found made it possible to develop a mathematical model of the process, which is in good agreement with industrial data. The developed mathematical model in future works will make it possible to study the dynamics of the gas–liquid flow in the reactor unit, taking into account diffusion and heat exchange processes through the catalyst layer.

Suggested Citation

  • Konstantin Barkalov & Irek Gubaydullin & Evgeny Kozinov & Ilya Lebedev & Roza Faskhutdinova & Azamat Faskhutdinov & Leniza Enikeeva, 2022. "On Solving the Problem of Finding Kinetic Parameters of Catalytic Isomerization of the Pentane-Hexane Fraction Using a Parallel Global Search Algorithm," Mathematics, MDPI, vol. 10(19), pages 1-13, October.
    • Handle: RePEc:gam:jmathe:v:10:y:2022:i:19:p:3665-:d:934860
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    References listed on IDEAS

    as
    1. Sergey I. Uskov & Dmitriy I. Potemkin & Leniza V. Enikeeva & Pavel V. Snytnikov & Irek M. Gubaydullin & Vladimir A. Sobyanin, 2020. "Propane Pre-Reforming into Methane-Rich Gas over Ni Catalyst: Experiment and Kinetics Elucidation via Genetic Algorithm," Energies, MDPI, vol. 13(13), pages 1-10, July.
    2. Grishagin, Vladimir & Israfilov, Ruslan & Sergeyev, Yaroslav, 2018. "Convergence conditions and numerical comparison of global optimization methods based on dimensionality reduction schemes," Applied Mathematics and Computation, Elsevier, vol. 318(C), pages 270-280.
    3. Kvasov, Dmitri E. & Mukhametzhanov, Marat S., 2018. "Metaheuristic vs. deterministic global optimization algorithms: The univariate case," Applied Mathematics and Computation, Elsevier, vol. 318(C), pages 245-259.
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    Cited by:

    1. Firas K. Al-Zuhairi & Zaidoon M. Shakor & Ihsan Hamawand, 2023. "Maximizing Liquid Fuel Production from Reformed Biogas by Kinetic Studies and Optimization of Fischer–Tropsch Reactions," Energies, MDPI, vol. 16(19), pages 1-21, October.

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