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

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

Abstract

We analyzed the transport properties of cerium ions, which are added to improve the chemical durability of a polymer electrolyte membrane (PEM), using molecular dynamics simulations. A system of the PEM in which incorporate cerium ions are incorporated and water flow is set was constructed to investigate the convective ion transport properties. At a low water contents, cerium ions are hardly affected by water flow. This is because many cerium ions are trapped by sulfonate group of Nafion polymer and the connectivity of water cluster is low. As the water contents increase, free cerium ions without being trapped by sulfonate groups increase and water clusters are connected and the cluster size increases. Hence, cerium ions are easily affected by water convection at high water contents.

Original languageEnglish
Title of host publicationPRiME 2020
Subtitle of host publicationPolymer Electrolyte Fuel Cells and Electrolyzers 20 (PEFC and E 20)
EditorsK. Swider-Lyons, H. Uchida, P. N. Pintauro, W. Mustain, F. Buechi, B. S. Pivovar, C. A. Rice, J. M. Fenton, P. Strasser, K. E. Ayers, A. Z. Weber, R. A. Mantz, H. Xu, S. Mitsushima, E. Kjeang, T. J. Schmidt, B. Lakshmanan, A. Kusoglu, H. Jia, D. J. Jones, D. H. Ha, S. K. Kim
PublisherIOP Publishing Ltd.
Pages439-446
Number of pages8
Edition9
ISBN (Electronic)9781607685395
DOIs
Publication statusPublished - 2020
EventPacific Rim Meeting on Electrochemical and Solid State Science 2020, PRiME 200 - Honolulu, United States
Duration: 2020 Oct 42020 Oct 9

Publication series

NameECS Transactions
Number9
Volume98
ISSN (Print)1938-6737
ISSN (Electronic)1938-5862

Conference

ConferencePacific Rim Meeting on Electrochemical and Solid State Science 2020, PRiME 200
CountryUnited States
CityHonolulu
Period20/10/420/10/9

ASJC Scopus subject areas

  • Engineering(all)

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