Analysis of dead-core formation in catalytic reaction and diffusion processes with generalized diffusion flux

Abstract Dead-core and non-dead-core solutions to the nonlinear diffusion–reaction equation based on the generalized diffusion flux with gradient-dependent diffusivity and the power-law reaction kinetics in catalyst slabs are established. The formation of dead zones where the reactant concentration...

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Main Authors: Piotr Skrzypacz, Bek Kabduali, Alua Kadyrbek, Sławomir Szafert, Vsevolod Andreev, Boris Golman
Format: Article
Language:English
Published: Nature Portfolio 2022-12-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-022-26786-8
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author Piotr Skrzypacz
Bek Kabduali
Alua Kadyrbek
Sławomir Szafert
Vsevolod Andreev
Boris Golman
author_facet Piotr Skrzypacz
Bek Kabduali
Alua Kadyrbek
Sławomir Szafert
Vsevolod Andreev
Boris Golman
author_sort Piotr Skrzypacz
collection DOAJ
description Abstract Dead-core and non-dead-core solutions to the nonlinear diffusion–reaction equation based on the generalized diffusion flux with gradient-dependent diffusivity and the power-law reaction kinetics in catalyst slabs are established. The formation of dead zones where the reactant concentration vanishes is characterized by the critical Thiele modulus that is derived as a function of reaction order and diffusion exponent in the generalized diffusion flux. The effects of reaction order and diffusion exponent on the reactant concentration distribution in the slab and dead-zone length are analyzed. It is particularly demonstrated that by contrast to the model based on the standard Fick’s diffusion, dead-core solutions exist in the case of first-order reactions. Also, the relationship between critical Thiele moduli for models based on the generalized and standard Fick’s diffusion fluxes is established.
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spelling doaj.art-7f000ec2cb254d6e89e01e0dc8a324432023-01-01T12:17:16ZengNature PortfolioScientific Reports2045-23222022-12-0112111110.1038/s41598-022-26786-8Analysis of dead-core formation in catalytic reaction and diffusion processes with generalized diffusion fluxPiotr Skrzypacz0Bek Kabduali1Alua Kadyrbek2Sławomir Szafert3Vsevolod Andreev4Boris Golman5Department of Mathematics, School of Sciences and Humanities, Nazarbayev UniversityDepartment of Mathematics, School of Sciences and Humanities, Nazarbayev UniversityDepartment of Mathematics, School of Sciences and Humanities, Nazarbayev UniversityDepartment of Chemistry, University of WrocławDepartment of Heat Power Setups, Faculty of Energy and Electrical Engineering, Chuvash State UniversityDepartment of Chemical and Materials Engineering, School of Engineering and Digital Sciences, Nazarbayev UniversityAbstract Dead-core and non-dead-core solutions to the nonlinear diffusion–reaction equation based on the generalized diffusion flux with gradient-dependent diffusivity and the power-law reaction kinetics in catalyst slabs are established. The formation of dead zones where the reactant concentration vanishes is characterized by the critical Thiele modulus that is derived as a function of reaction order and diffusion exponent in the generalized diffusion flux. The effects of reaction order and diffusion exponent on the reactant concentration distribution in the slab and dead-zone length are analyzed. It is particularly demonstrated that by contrast to the model based on the standard Fick’s diffusion, dead-core solutions exist in the case of first-order reactions. Also, the relationship between critical Thiele moduli for models based on the generalized and standard Fick’s diffusion fluxes is established.https://doi.org/10.1038/s41598-022-26786-8
spellingShingle Piotr Skrzypacz
Bek Kabduali
Alua Kadyrbek
Sławomir Szafert
Vsevolod Andreev
Boris Golman
Analysis of dead-core formation in catalytic reaction and diffusion processes with generalized diffusion flux
Scientific Reports
title Analysis of dead-core formation in catalytic reaction and diffusion processes with generalized diffusion flux
title_full Analysis of dead-core formation in catalytic reaction and diffusion processes with generalized diffusion flux
title_fullStr Analysis of dead-core formation in catalytic reaction and diffusion processes with generalized diffusion flux
title_full_unstemmed Analysis of dead-core formation in catalytic reaction and diffusion processes with generalized diffusion flux
title_short Analysis of dead-core formation in catalytic reaction and diffusion processes with generalized diffusion flux
title_sort analysis of dead core formation in catalytic reaction and diffusion processes with generalized diffusion flux
url https://doi.org/10.1038/s41598-022-26786-8
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