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Mathematical Modeling of a Self-Oscillating Catalytic Reaction in a Flow Reactor

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Abstract

The article is devoted to the analysis of possible spatiotemporal kinetic structures that can arise during catalytic oxidation reactions on metal surfaces at atmospheric pressure. The catalytic oscillatory reaction in a flow reactor is modeled using a 1D system of equations of the reaction–diffusion–convection type. The STM type oscillatory reaction model of catalytic oxidation is used as a kinetic model. The obtained results of mathematical modeling show the decisive influence of an axial mixing in the reactor on the development of spatiotemporal structures. It is also shown that, depending on the ratio of adsorption rates of reacting species, three different isothermal spatiotemporal structures can arise, namely a spatially inhomogeneous stationary state, regular and aperiodic “breathing structures”.

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Funding

This study was performed under government contract no. 122040500058-1.

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Authors and Affiliations

  1. Faculty of Computational Mathematics and Cybernetics, Moscow State University, 119992, Moscow, Russia

    N. V. Peskov

  2. Semenov Institute of Chemical Physics, 119991, Moscow, Russia

    M. M. Slinko

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  1. N. V. Peskov
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  2. M. M. Slinko
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Correspondence to N. V. Peskov.

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STM, Sales–Turner–Maple mathematical model; PEEM, photoelectron emission spectroscopy; LEEM, low energy electron microscopy; IRT, infrared video thermography; XPS, X-ray photoelectron spectroscopy; CSTR, continuous stirring tank reactor.

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Peskov, N.V., Slinko, M.M. Mathematical Modeling of a Self-Oscillating Catalytic Reaction in a Flow Reactor. Kinet Catal 65, 211–218 (2024). https://doi.org/10.1134/S0023158423601237

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  • DOI: https://doi.org/10.1134/S0023158423601237

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