Reflection characteristics of oxygen molecule on ionomer surface

M. Nakauchi, T. Mabuchi, I. Kinefuchi, H. Takeuchi, T. Tokumasu

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

1 Citation (Scopus)

Abstract

We investigated the scattering phenomena of oxygen molecules on an ionomer surface, which plays a crucial role in oxygen transport in catalyst layers, using molecular dynamics simulations. The probability density functions (PDFs) of the translational energy and scattering angle of scattered oxygen molecules were analyzed for a wide range of incident condition and water contents. The translational energy distribution depends on the incident energy, but is insensitive to the incident angle and the water content. The scattering angle distribution is independent of the incident condition and the water content. Two types of collision behaviors, i.e., single and multiple collisions, were observed in the trajectory calculations. The fraction of multiple collisions and the residence time of oxygen molecules on ionomer surface were also investigated. These results provide an insight into the atomic leveldynamics of oxygen scattering on ionomer surfaces.

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.
Pages615-621
Number of pages7
Edition14
ISBN (Electronic)9781607685395
DOIs
Publication statusPublished - 2016 Jan 1
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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