Validation of a Kinetic Model for Methanation of CO<i><sub>x</sub></i> Gases with Literature Data

A kinetic modeling study was performed for the methanation of COx gases using experimental data from the literature. The original kinetic parameters were used to calculate the different reaction rates, which resulted in an average absolute error of 11%. By means of a sensitivity analysis, it was demonstrated that the reported values of parameters do not correspond to the global minimum of the objective function. A recalculation of the kinetic parameters using an optimization methodology was performed in order to obtain the optimal values of the parameters. After applying the methodology, a series of simulations using the optimized values was performed where the predictions obtained with the new values of parameters exhibited a better accuracy to predict the experimental data in comparison with the reported kinetic parameter values with an average absolute error of 2.18%.

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Publication Details

Journal
Industrial & Engineering Chemistry Research
Published
2025-01-10
DOI
https://doi.org/10.1021/acs.iecr.4c04070
Citations
2
Primary Topic
Catalysis and Oxidation Reactions
Type
article
Field-Weighted Citation Impact
0.78

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article

Validation of a Kinetic Model for Methanation of COx Gases with Literature Data

Jorge Ancheyta, А. Н. Загоруйко, Andrey Elyshev, Juan J. Ríos
2 citations
Industrial & Engineering Chemistry Research
Catalysis and Oxidation Reactions
0.78
article

Validation of a Kinetic Model for Methanation of COx Gases with Literature Data

Jorge Ancheyta, А. Н. Загоруйко, Andrey Elyshev, Juan J. Ríos
article en
2 citations

Abstract

A kinetic modeling study was performed for the methanation of COx gases using experimental data from the literature. The original kinetic parameters were used to calculate the different reaction rates, which resulted in an average absolute error of 11%. By means of a sensitivity analysis, it was demonstrated that the reported values of parameters do not correspond to the global minimum of the objective function. A recalculation of the kinetic parameters using an optimization methodology was performed in order to obtain the optimal values of the parameters. After applying the methodology, a series of simulations using the optimized values was performed where the predictions obtained with the new values of parameters exhibited a better accuracy to predict the experimental data in comparison with the reported kinetic parameter values with an average absolute error of 2.18%.

Industrial & Engineering Chemistry ResearchVol. 64(3)
University of Tyumen (RU), Boreskov Institute of Catalysis (RU), Instituto Politécnico Nacional (MX)
Consejo Nacional de Ciencia y Tecnología, Ministry of Science and Higher Education of the Russian Federation
Openalex Percentile: Top 34%
Catalysis and Oxidation Reactions
0.78
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