Revisiting the Kinetic Modeling of Methane Autothermal Reforming Reactions | Sciact - CRIS-system of Boreskov Institute of Catalysis

Revisiting the Kinetic Modeling of Methane Autothermal Reforming Reactions Full article

Journal

Industrial and Engineering Chemistry Research
ISSN: 0888-5885 , E-ISSN: 1520-5045

Output data

Year: 2025, Volume: 64, Number: 4, Pages: 2061–2068 Pages count : 8 DOI: 10.1021/acs.iecr.4c04164

Tags

Catalysts, Hydrocarbons, Kinetic modeling, Kinetic parameters, Theoretical and computational chemistry

Authors

Jurado Javier ¹ , Trejo Fernando ¹ , Ancheyta Jorge ^1,2 , Elyshev Andrey ² , Zagoruiko Andrey ³

Affiliations

1	Instituto Politécnico Nacional, Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Legaria 694, Col. Irrigación, 11500 Mexico City, Mexico
2	Tyumen State University, Ulitsa Volodarskogo 6, Tyumen 625003, Russia
3	Boreskov Institute of Catalysis, Novosibirsk 630090, Russia

Funding (2)

1	Russian Science Foundation	22-73-10015
2	National Council of Science and Technology

A kinetic modeling study of the methane autothermal reforming reaction using literature experimental data was performed. The reported kinetic model was reproduced by using an optimization approach based on nonlinear parameter estimation, proper selection of initial values of parameters, sensitivity, and statistical analyses. When using the reported values of parameters, a high average absolute error was found, which contradicted the low error reported by the authors. The recalculated parameters showed high accuracy with an error of lower than 1%. It was found that the reverse water–gas shift reaction may have a significant influence on the steam methane reforming experiments at 500–575 °C and 10 bar. Most of the CO2 is converted through the reverse steam reforming reaction in the range of 300–400 °C. At temperatures higher than 600 °C, the CO2 and CO productions through the two studied steam reforming reactions may be competitive for the steam reforming performance.

Jurado J. , Trejo F. , Ancheyta J. , Elyshev A. , Zagoruiko A.
Revisiting the Kinetic Modeling of Methane Autothermal Reforming Reactions
Industrial and Engineering Chemistry Research. 2025. V.64. N4. P.2061–2068. DOI: 10.1021/acs.iecr.4c04164 WOS Scopus OpenAlex

Submitted:	Oct 31, 2024
Accepted:	Jan 9, 2025
Published online:	Jan 21, 2025
Published print:	Jan 29, 2025

Web of science:	WOS:001401415600001
Scopus:	2-s2.0-85215851474
OpenAlex:	W4406666121

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