Modeling reaction-diffusion processes within catalyst washcoats: I. Microscale processes based on three-dimensional reconstructions

Canan Karakaya; Peter J. Weddle; Justin M. Blasi; David R. Diercks; Robert J. Kee

doi:10.1016/j.ces.2016.02.004

Modeling reaction-diffusion processes within catalyst washcoats: I. Microscale processes based on three-dimensional reconstructions

Canan Karakaya, Peter J. Weddle, Justin M. Blasi, David R. Diercks, Robert J. Kee

Research output: Contribution to journal › Article › peer-review

15 Scopus citations

Abstract

This paper develops a detailed analysis of reaction-diffusion processes within a porous rhodium-alumina catalyst washcoat. Focused-ion-beam-scanning-electron-microscope (FIB-SEM) techniques are developed and applied to reconstruct the actual catalyst-support microstructure. Three-dimensional transport processes within washcoat micro-pore structures are modeled using a dimensionless representation of reaction and diffusion rates based on the Damköhler number. Three-dimensional computational solutions for particular porous microstructures are modeled and interpreted. In a companion paper, these microstructural results are used to assist development of larger-scale models that can be incorporated into reactor-scale simulations.

Original language	English
Pages (from-to)	299-307
Number of pages	9
Journal	Chemical Engineering Science
Volume	145
DOIs	https://doi.org/10.1016/j.ces.2016.02.004
State	Published - May 12 2016
Externally published	Yes

Keywords

Catalyst washcoat
FIB-SEM
Pore microstructure
Porous media
Reaction-diffusion modeling
Tomography

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10.1016/j.ces.2016.02.004

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title = "Modeling reaction-diffusion processes within catalyst washcoats: I. Microscale processes based on three-dimensional reconstructions",

abstract = "This paper develops a detailed analysis of reaction-diffusion processes within a porous rhodium-alumina catalyst washcoat. Focused-ion-beam-scanning-electron-microscope (FIB-SEM) techniques are developed and applied to reconstruct the actual catalyst-support microstructure. Three-dimensional transport processes within washcoat micro-pore structures are modeled using a dimensionless representation of reaction and diffusion rates based on the Damk{\"o}hler number. Three-dimensional computational solutions for particular porous microstructures are modeled and interpreted. In a companion paper, these microstructural results are used to assist development of larger-scale models that can be incorporated into reactor-scale simulations.",

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author = "Canan Karakaya and Weddle, {Peter J.} and Blasi, {Justin M.} and Diercks, {David R.} and Kee, {Robert J.}",

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doi = "10.1016/j.ces.2016.02.004",

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T2 - I. Microscale processes based on three-dimensional reconstructions

AU - Karakaya, Canan

AU - Weddle, Peter J.

AU - Blasi, Justin M.

AU - Diercks, David R.

AU - Kee, Robert J.

PY - 2016/5/12

Y1 - 2016/5/12

N2 - This paper develops a detailed analysis of reaction-diffusion processes within a porous rhodium-alumina catalyst washcoat. Focused-ion-beam-scanning-electron-microscope (FIB-SEM) techniques are developed and applied to reconstruct the actual catalyst-support microstructure. Three-dimensional transport processes within washcoat micro-pore structures are modeled using a dimensionless representation of reaction and diffusion rates based on the Damköhler number. Three-dimensional computational solutions for particular porous microstructures are modeled and interpreted. In a companion paper, these microstructural results are used to assist development of larger-scale models that can be incorporated into reactor-scale simulations.

AB - This paper develops a detailed analysis of reaction-diffusion processes within a porous rhodium-alumina catalyst washcoat. Focused-ion-beam-scanning-electron-microscope (FIB-SEM) techniques are developed and applied to reconstruct the actual catalyst-support microstructure. Three-dimensional transport processes within washcoat micro-pore structures are modeled using a dimensionless representation of reaction and diffusion rates based on the Damköhler number. Three-dimensional computational solutions for particular porous microstructures are modeled and interpreted. In a companion paper, these microstructural results are used to assist development of larger-scale models that can be incorporated into reactor-scale simulations.

KW - Catalyst washcoat

KW - FIB-SEM

KW - Pore microstructure

KW - Porous media

KW - Reaction-diffusion modeling

KW - Tomography

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DO - 10.1016/j.ces.2016.02.004

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SN - 0009-2509

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SP - 299

EP - 307

JO - Chemical Engineering Science

JF - Chemical Engineering Science

ER -

Modeling reaction-diffusion processes within catalyst washcoats: I. Microscale processes based on three-dimensional reconstructions

Abstract

Keywords

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