Gas-surface interaction study of oxygen molecules on ionomer surface in catalyst layer

M. Nakauchi, T. Mabuchi, T. Hori, Y. Yoshimoto, I. Kinefuchi, H. Takeuchi, T. Tokumasu

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

Abstract

We investigated the gas-surface interaction between oxygen molecules and ionomer surface using molecular dynamics simulations because the scattering phenomena of gas molecules on the surface play a crucial role for the gas transport in catalyst layers (CLs). The probability density functions (PDFs) of the translational energy of scattered oxygen molecules was analyzed for a wide range of incident condition and water contents for different scattering process. The energy distributions show the dependence on the incident temperature and independent of water content. The characteristic temperature of translational energy was also investigated by fitting to the Maxwell-Boltzmann distribution. This result suggests that there is a different tendency of the thermal accommodation to the ionomer surface depending on the scattering process.

Original languageEnglish
Title of host publicationECS Transactions
EditorsP. N. Pintauro, P. A. Shirvanian, K. Shinohara, H. Uchida, T. J. Schmidt, A. Z. Weber, J. M. Fenton, C. Coutanceau, S. Narayan, D. J. Jones, Y.-T. Kim, F. Buechi, K. E. Swider-Lyons, T. F. Fuller, P. Strasser, V. Ramani, K. E. Ayers, H. A. Gasteiger, K. A. Perry, R. A. Mantz, B. S. Pivovar, S. Mitsushima, H. Xu
PublisherElectrochemical Society Inc.
Pages197-203
Number of pages7
Edition8
ISBN (Electronic)9781607685395
DOIs
Publication statusPublished - 2017
EventSymposium on Polymer Electrolyte Fuel Cells 17, PEFC 2017 - 232nd ECS Meeting - National Harbor, United States
Duration: 2017 Oct 12017 Oct 5

Publication series

NameECS Transactions
Number8
Volume80
ISSN (Print)1938-6737
ISSN (Electronic)1938-5862

Other

OtherSymposium on Polymer Electrolyte Fuel Cells 17, PEFC 2017 - 232nd ECS Meeting
CountryUnited States
CityNational Harbor
Period17/10/117/10/5

ASJC Scopus subject areas

  • Engineering(all)

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