Molecular simulation of oxygen permeation through ionomer in catalyst layer

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

4 Citations (Scopus)

Abstract

We analyzed oxygen permeability through the two different types of thin ionomer films, composed of Nafion and hydrocarbon (HC), on Pt surface. From the results of the number of permeated oxygen, density distributions of ionomer components and oxygen, and solubility distributions of oxygen, we have found that the number of permeated oxygen molecules decreases in both ionomers as water content increases. In the ionomer-gas interface and the bulk region of both ionomers, the oxygen solubility decreases, and solvent block the diffusion of oxygen with increasing water content. In the ionomer-Pt interface of the Nafionbased ionomer, the oxygen solubility also decreases, and the voids in the ionomer, which can be the pathways for oxygen, are occupied by solvent at higher water contents. On the other hand, in the interface of the HC-based ionomer, solvent molecules are piled up on the surface of high-density polymers, and block the permeation of oxygen.

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.
Pages559-565
Number of pages7
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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