Analysis of the influence of cerium ions on mass transport properties in polymer electrolyte membrane by molecular dynamics simulation

K. Ishikawa, T. Mabuchi, T. Tokumasu

研究成果: Conference contribution

1 被引用数 (Scopus)

抄録

Chemical decomposition of polymer electrolyte membrane (PEM) by hydroxyl radicals has been reported as one of causes of polymer electrolyte fuel cells (PEFCs) degradation, and as a countermeasure, a method of adding cerium ions into the PEM has been studied. Using molecular dynamics simulations, we constructed a system of the PEM that incorporate cerium ions to investigate the effect of cerium ions on the proton transport property. We have obtained proton diffusion coefficient, radial distribution function, coordinate number, number of cluster and cluster size. As a result, we found that at low water content, diffusion coefficient of proton increases by adding cerium ions because cerium ion attract the surrounding water molecules and clusters are connected to make better diffusion path of protons. At high water content. The presence of cerium ions in the cluster hinders proton transport, which results in the decrease in the diffusion coefficient of proton.

本文言語English
ホスト出版物のタイトルPolymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 19
編集者K. Swider-Lyons, H. Uchida, F. Buechi, W. E. Mustain, B. S. Pivovar, P. N. Pintauro, A. Z. Weber, D. Jones, H. Gasteiger, C. A. Rice, P. Strasser, E. Kjeang, K. Shinohara, S. Mitsushima, Y.-T. Kim, T. J. Schmidt, J. M. Fenton, R. A. Mantz, B. Lakshmanan, H. Xu
出版社Electrochemical Society Inc.
ページ421-428
ページ数8
8
ISBN(電子版)9781607688822
ISBN(印刷版)9781607688822
DOI
出版ステータスPublished - 2019
イベントSymposium on Polymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 2019 - 236th ECS Meeting - Atlanta, United States
継続期間: 2019 10 132019 10 17

出版物シリーズ

名前ECS Transactions
番号8
92
ISSN(印刷版)1938-6737
ISSN(電子版)1938-5862

Conference

ConferenceSymposium on Polymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 2019 - 236th ECS Meeting
国/地域United States
CityAtlanta
Period19/10/1319/10/17

ASJC Scopus subject areas

  • 工学(全般)

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