Molecular dynamics simulations of transport phenomena in polymer electrolyte fuel cell

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Nanoscale transport phenomena in a membrane electrode assembly (MEA) of polymer electrolyte fuel cell (PEFC) is analyzed by large scale molecular dynamics (MD) simulations. Especially, the transport phenomena of proton in polymer electrolyte membrane (PEM) which has highly anisotropic water structures, oxygen permeability, oxygen scattering and proton diffusivity of ionomer in catalyst layer (CL), and scattering of oxygen molecule on ionomer were simulated, and nanoscale transport characteristics were analyzed in detail to achieve the design of new concept of MEA for next generation PEFC.

Original languageEnglish
Title of host publicationProceedings of CHT-17 ICHMT International Symposium on Advances in Computational Heat Transfer, 2017
PublisherBegell House Inc.
Pages1829-1832
Number of pages4
ISBN (Print)9781567004618
DOIs
Publication statusPublished - 2017
EventInternational Symposium on Advances in Computational Heat Transfer, CHT 2017 - Napoli, Italy
Duration: 2017 May 282017 Jun 1

Publication series

NameInternational Symposium on Advances in Computational Heat Transfer
ISSN (Print)2578-5486

Conference

ConferenceInternational Symposium on Advances in Computational Heat Transfer, CHT 2017
CountryItaly
CityNapoli
Period17/5/2817/6/1

ASJC Scopus subject areas

  • Fluid Flow and Transfer Processes
  • Mechanical Engineering
  • Condensed Matter Physics
  • Computer Science Applications

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  • Cite this

    Tokumasu, T. (2017). Molecular dynamics simulations of transport phenomena in polymer electrolyte fuel cell. In Proceedings of CHT-17 ICHMT International Symposium on Advances in Computational Heat Transfer, 2017 (pp. 1829-1832). (International Symposium on Advances in Computational Heat Transfer). Begell House Inc.. https://doi.org/10.1615/ichmt.2017.cht-7.1940