An improved EVB model for proton transport in polymer electrolyte membrane

研究成果: Conference contribution

1 被引用数 (Scopus)

抄録

We have performed a detailed analysis of proton solvation and transport properties in hydrated Nafion using molecular dynamics simulation. The revised EVB model predicts a significantly enhanced transport in comparison with the classical hydronium models, which largely improves the agreement with the available experimental data. The excess proton was found to have weaker interaction with the sulfonate groups in comparison with the classical hydronium ion, reflecting the delocalization nature of the proton charge defects in the EVB model. Our results suggest that the hopping transport has a large contribution to the proton diffusion even at lower hydration levels, as low as 3. It was also found that the Grotthuss component becomes more important and its contribution increases linearly as the hydration level increases.

本文言語English
ホスト出版物のタイトルPolymer Electrolyte Fuel Cells 14
編集者K. Shinohara, S. R. Narayanan, K. Swider-Lyons, A. Weber, C. Coutanceau, R. Mantz, H. A. Gasteiger, D. Jones, M. Edmundson, S. Mitsushima, V. Ramani, Y. Meas, T. Fuller, H. Uchida, F. N. Buchi, K. A. Perry, T. J. Schmidt, J. M. Fenton, P. Strasser
出版社Electrochemical Society Inc.
ページ699-704
ページ数6
3
ISBN(電子版)9781607685395
DOI
出版ステータスPublished - 2014 1 1
イベント14th Polymer Electrolyte Fuel Cell Symposium, PEFC 2014 - 226th ECS Meeting - Cancun, Mexico
継続期間: 2014 10 52014 10 9

出版物シリーズ

名前ECS Transactions
番号3
64
ISSN(印刷版)1938-5862
ISSN(電子版)1938-6737

Other

Other14th Polymer Electrolyte Fuel Cell Symposium, PEFC 2014 - 226th ECS Meeting
CountryMexico
CityCancun
Period14/10/514/10/9

ASJC Scopus subject areas

  • Engineering(all)

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