An improved EVB model for proton transport in polymer electrolyte membrane

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

1 Citation (Scopus)

Abstract

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.

Original languageEnglish
Title of host publicationPolymer Electrolyte Fuel Cells 14
EditorsK. 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
PublisherElectrochemical Society Inc.
Pages699-704
Number of pages6
Edition3
ISBN (Electronic)9781607685395
DOIs
Publication statusPublished - 2014 Jan 1
Event14th Polymer Electrolyte Fuel Cell Symposium, PEFC 2014 - 226th ECS Meeting - Cancun, Mexico
Duration: 2014 Oct 52014 Oct 9

Publication series

NameECS Transactions
Number3
Volume64
ISSN (Print)1938-5862
ISSN (Electronic)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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