Direct numerical simulation (DNS) modeling of PEFC electrodes: Part II. Random microstructure

Guoqing Wang; Partha P. Mukherjee; Chao Yang Wang

doi:10.1016/j.electacta.2005.09.003

Direct numerical simulation (DNS) modeling of PEFC electrodes: Part II. Random microstructure

Guoqing Wang, Partha P. Mukherjee, Chao Yang Wang

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71 Scopus citations

Abstract

The direct numerical simulation (DNS) method, developed for modeling the cathode catalyst layer (CL) of a polymer electrolyte fuel cell (PEFC) in Part I, is further extended wherein the catalyst layer is described as a random three-dimensional porous structure. A random CL microstructure is obtained using a computer-generated random number with specified porosity and pore size as the input structural parameters. Some statistical features of the CL and their dependence on the porosity are identified and demonstrated. The charge and species conservation equations are solved directly on this microscopically complex structure. The results from the DNS calculation are compared with the one-dimensional macrohomogeneous predictions and the Bruggeman factor for transport property correction is evaluated, which can be used as direct input into the macroscopic fuel cell models.

Original language	English (US)
Pages (from-to)	3151-3160
Number of pages	10
Journal	Electrochimica Acta
Volume	51
Issue number	15
DOIs	https://doi.org/10.1016/j.electacta.2005.09.003
State	Published - Apr 1 2006

All Science Journal Classification (ASJC) codes

General Chemical Engineering
Electrochemistry

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10.1016/j.electacta.2005.09.003

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title = "Direct numerical simulation (DNS) modeling of PEFC electrodes: Part II. Random microstructure",

abstract = "The direct numerical simulation (DNS) method, developed for modeling the cathode catalyst layer (CL) of a polymer electrolyte fuel cell (PEFC) in Part I, is further extended wherein the catalyst layer is described as a random three-dimensional porous structure. A random CL microstructure is obtained using a computer-generated random number with specified porosity and pore size as the input structural parameters. Some statistical features of the CL and their dependence on the porosity are identified and demonstrated. The charge and species conservation equations are solved directly on this microscopically complex structure. The results from the DNS calculation are compared with the one-dimensional macrohomogeneous predictions and the Bruggeman factor for transport property correction is evaluated, which can be used as direct input into the macroscopic fuel cell models.",

author = "Guoqing Wang and Mukherjee, {Partha P.} and Wang, {Chao Yang}",

note = "Funding Information: A.L. Gutjahr, Project Report, New Mexico Institute of Mining and Technology, Contract No. 4-R58-2690R, 1989. Funding Information: Support for this work was provided, in part, by industrial sponsors of ECEC. ",

year = "2006",

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doi = "10.1016/j.electacta.2005.09.003",

language = "English (US)",

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pages = "3151--3160",

journal = "Electrochimica Acta",

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T1 - Direct numerical simulation (DNS) modeling of PEFC electrodes

T2 - Part II. Random microstructure

AU - Wang, Guoqing

AU - Mukherjee, Partha P.

AU - Wang, Chao Yang

N1 - Funding Information: A.L. Gutjahr, Project Report, New Mexico Institute of Mining and Technology, Contract No. 4-R58-2690R, 1989. Funding Information: Support for this work was provided, in part, by industrial sponsors of ECEC.

PY - 2006/4/1

Y1 - 2006/4/1

N2 - The direct numerical simulation (DNS) method, developed for modeling the cathode catalyst layer (CL) of a polymer electrolyte fuel cell (PEFC) in Part I, is further extended wherein the catalyst layer is described as a random three-dimensional porous structure. A random CL microstructure is obtained using a computer-generated random number with specified porosity and pore size as the input structural parameters. Some statistical features of the CL and their dependence on the porosity are identified and demonstrated. The charge and species conservation equations are solved directly on this microscopically complex structure. The results from the DNS calculation are compared with the one-dimensional macrohomogeneous predictions and the Bruggeman factor for transport property correction is evaluated, which can be used as direct input into the macroscopic fuel cell models.

AB - The direct numerical simulation (DNS) method, developed for modeling the cathode catalyst layer (CL) of a polymer electrolyte fuel cell (PEFC) in Part I, is further extended wherein the catalyst layer is described as a random three-dimensional porous structure. A random CL microstructure is obtained using a computer-generated random number with specified porosity and pore size as the input structural parameters. Some statistical features of the CL and their dependence on the porosity are identified and demonstrated. The charge and species conservation equations are solved directly on this microscopically complex structure. The results from the DNS calculation are compared with the one-dimensional macrohomogeneous predictions and the Bruggeman factor for transport property correction is evaluated, which can be used as direct input into the macroscopic fuel cell models.

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JO - Electrochimica Acta

JF - Electrochimica Acta

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Direct numerical simulation (DNS) modeling of PEFC electrodes: Part II. Random microstructure

Abstract

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