Geodesic
Averaging of the model of a chemical process in a catalyst layer with a spherical grain
Numerical methods and programming, Tome 25 (2024) no. 4, pp. 413-426

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The article presents a comparative analysis of models of a non-stationary chemical process using the example of burning coke sedimentation from a catalyst layer with a spherical grain. The first model is obtained by averaging the heat conductivity equation for a spherical catalyst grain. The second is the averaging of the entire grain model, including the diffusion-reaction equations. The comparative analysis showed good consistency of the results under conditions of low concentrations of reagents, small catalyst grains and high process temperatures with a significant reduction in calculation time for the first model. It was found necessary to take into account intradiffusion inhibition at the case of a high reagent concentrations. It causes the occurrence of a concentration gradient along the radius of the catalyst grain at the initial stages of the process.
Keywords: numerical methods, mathematical modeling, unsteady process.
Mots-clés : explicit-implicit scheme, the diffusion-reaction equation 
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     title = {Averaging of the model of a chemical process in a catalyst layer with a spherical grain},
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O. S. Yazovtseva; I. M. Gubaydullin; I. G. Lapshin. Averaging of the model of a chemical process in a catalyst layer with a spherical grain. Numerical methods and programming, Tome 25 (2024) no. 4, pp. 413-426. http://geodesic.mathdoc.fr/item/VMP_2024_25_4_a2/