Molecular simulation of oxygen solubility and diffusivity in ionomer on Pt surface

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

2 Citations (Scopus)

Abstract

We analyzed the oxygen permeability through the ionomer on the Pt surface using molecular dynamics simulations. We calculated the density distributions of ionomer components and oxygen, the number of permeated oxygen through the ionomer, and the oxygen solubility. As a result, we have found that the oxygen permeability decreases as water content increases. In the ionomer/gas interface and the bulk region, the oxygen solubility decreases. Beside, compared with the structure properties of bulk membranes, the oxygen diffusivity is considered to increase as water content increases due to the swelling of the regions. In the ionomer/Pt interface, the oxygen solubility decreases with increasing water content, besides it is considered that the oxygen diffusivity decreases with increasing water content, because the solvent fills the pores which are pathways of oxygen.

Original languageEnglish
Title of host publicationPolymer Electrolyte Fuel Cells 15, PEFC 15
EditorsH. A. Gasteiger, V. K. Ramani, J. M. Fenton, T. J. Schmidt, D. J. Jones, K. E. Ayers, K. A. Perry, T. F. Fuller, B. S. Pivovar, K. Shinohara, F. N. Buchi, R. A. Mantz, C. Coutanceau, P. Strasser, A. Z. Weber, K. Swider-Lyons, H. Uchida, M. Edmundson, S. Mitsushima, S. R. Narayanan
PublisherElectrochemical Society Inc.
Pages691-699
Number of pages9
Edition17
ISBN (Electronic)9781607685395
DOIs
Publication statusPublished - 2015
EventSymposium on Polymer Electrolyte Fuel Cells 15, PEFC 2015 - 228th ECS Meeting - Phoenix, United States
Duration: 2015 Oct 112015 Oct 15

Publication series

NameECS Transactions
Number17
Volume69
ISSN (Print)1938-5862
ISSN (Electronic)1938-6737

Other

OtherSymposium on Polymer Electrolyte Fuel Cells 15, PEFC 2015 - 228th ECS Meeting
Country/TerritoryUnited States
CityPhoenix
Period15/10/1115/10/15

ASJC Scopus subject areas

  • Engineering(all)

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