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

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

3 Citations (Scopus)

Abstract

We analyzed the dependence of the structure properties and the permeation properties of oxygen molecules in ionomer on water content. We constructed a system in which oxygen molecules permeated ionomer on a Pt surface. The ionomer/gas interface, bulk region, and ionomer/Pt interface were defined based on the density distribution of ionomer at each water content. Furthermore, the oxygen diffusivity, solubility, and permeability in each region of the ionomer were evaluated to analyze the oxygen permeation properties. As a result, the oxygen permeability in the ionomer/Pt interface is the lowest, for all water content. Moreover, comparing the contributions of the oxygen diffusivity and solubility to the oxygen permeability, it was found that the oxygen solubility plays a dominant role in the oxygen permeability, indicating that the oxygen solubility in the ionomer/Pt interface is the dominant factor in the oxygen permeability in the ionomer.

Original languageEnglish
Title of host publicationPolymer Electrolyte Fuel Cells 16, PEFC 16
EditorsD. J. Jones, F. N. Buchi, B. S. Pivovar, T. F. Fuller, A. Z. Weber, L. Zhuang, C. Coutanceau, P. N. Pintauro, K. E. Ayers, V. K. Ramani, P. Strasser, R. A. Mantz, S. R. Narayanan, S. Mitsushima, T. J. Schmidt, S. G. Sun, H. Uchida, H. A. Gasteiger, K. Swider-Lyons, J. M. Fenton, Y. T. Kim, K. A. Perry, P. Shirvanian, K. Shinohara
PublisherElectrochemical Society Inc.
Pages129-137
Number of pages9
Edition14
ISBN (Electronic)9781607685395
DOIs
Publication statusPublished - 2016
Externally publishedYes
EventSymposium on Polymer Electrolyte Fuel Cells 16, PEFC 2016 - PRiME 2016/230th ECS Meeting - Honolulu, United States
Duration: 2016 Oct 22016 Oct 7

Publication series

NameECS Transactions
Number14
Volume75
ISSN (Print)1938-5862
ISSN (Electronic)1938-6737

Other

OtherSymposium on Polymer Electrolyte Fuel Cells 16, PEFC 2016 - PRiME 2016/230th ECS Meeting
CountryUnited States
CityHonolulu
Period16/10/216/10/7

ASJC Scopus subject areas

  • Engineering(all)

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