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Enhancing the Prediction Capability of a Literature COx Methanation Kinetic Model Full article

Journal Fuel
ISSN: 0016-2361 , E-ISSN: 1873-7153
Output data Year: 2026, Volume: 410, Article number : 137834, Pages count : 11 DOI: 10.1016/j.fuel.2025.137834
Tags COx methanation; Kinetic modeling; Reactor simulation; Power-to-Gas
Authors Ríos Juan J. 1 , Ancheyta Jorge 2,3 , Mantilla Angeles 1 , Elyshev Andrey 3 , Zagoruiko Andrey 4
Affiliations
1 Instituto Politecnico Nacional, Centro de Investigacion en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria. Legaria 694, Col. Irrigacion, 11500 Ciudad de Mexico, Mexico
2 ESIQIE, Instituto Politecnico Nacional, UPALM, Zacatenco, Mexico City 07738, Mexico
3 Tyumen State University, 625003 Tyumen, Russia
4 Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, 630090 Novosibirsk Russia

Funding (2)

1 Ministry of Science and Higher Education of the Russian Federation FEWZ-2024-0015
2 Ministry of Science and Innovation

Abstract: A kinetic model for COx methanation based on the reactions of methanation of CO and CO2, and reverse water–gas shift is compared with a literature kinetic model that only considers the methanation of CO and reverse water–gas shift. The model is assessed under non-isothermal plug flow reactor conditions. To validate the predictive capability, temperature profiles, species molar fractions, and methane production were simulated and compared with experimental data. The proposed model includes mechanistic expressions accounting for competitive adsorption and product inhibition effects, which significantly improve its accuracy in capturing the system thermal and reactive behavior. Statistical validation through residual analysis and parity plot, along with regression metrics, confirms the superior performance of the proposed model. Notably, the inclusion of the CO2 methanation pathway led to a 15% increase in CH4 yield which adjusted better to the experimental data, emphasizing its importance in reactor modeling for COx hydrogenation. These results underscore the relevance of complete kinetic formulations in supporting process design, optimization, and scale-up in Power-to-Gas and synthetic natural gas production.
Cite: Ríos J.J. , Ancheyta J. , Mantilla A. , Elyshev A. , Zagoruiko A.
Enhancing the Prediction Capability of a Literature COx Methanation Kinetic Model
Fuel. 2026. V.410. 137834 :1-11. DOI: 10.1016/j.fuel.2025.137834
Dates:
Submitted: Aug 12, 2025
Accepted: Dec 1, 2025
Identifiers: No identifiers
Citing: Пока нет цитирований
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