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

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

1 Citation (Scopus)

Abstract

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.

Original languageEnglish
Title of host publicationPolymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 19
EditorsK. 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
PublisherElectrochemical Society Inc.
Pages421-428
Number of pages8
Edition8
ISBN (Electronic)9781607685395
DOIs
Publication statusPublished - 2019 Jan 1
EventSymposium on Polymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 2019 - 236th ECS Meeting - Atlanta, United States
Duration: 2019 Oct 132019 Oct 17

Publication series

NameECS Transactions
Number8
Volume92
ISSN (Print)1938-6737
ISSN (Electronic)1938-5862

Conference

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

ASJC Scopus subject areas

  • Engineering(all)

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