Molecular dynamics study of oxygen permeation through the ionomer of pefc catalyst layer

Kiminori Sakai, Takashi Tokumasu

研究成果: Conference contribution

抜粋

Polymer electrolyte membrane fuel cell (PEFC) is focused worldwide as the energy conversion device of next generation. In the PEFC cathode catalyst layer, an ionomer with which the catalyst is covered is very important on the point of transferring protons to the catalytic surface on the cathode side. On the other hand, it is said that an ionomer interferes with oxygen permeation to the catalytic surface. The mechanism of oxygen permeation through an ionomer was not analyzed in detail because it is too small to research by experiment. Moreover molecular dynamics simulation of the catalyst layer and oxygen permeability has not yet studied. In this research, we constructed the system including nafion, water, oxonium ion, platinum layers by using molecular dynamics study, and studied about the effect of the water content of the ionomer on the structure of the ionomer and permeability of the oxygen molecule. As the results, a lot of oxygen molecules permeated through a dried ionomer and reached to the catalytic surface but there were few oxygen molecules that permeated through a hydrated ionomer and reached there. In addition, it is found that the shape of the ionomer in the case of water content rate γ = 3, 7, 11 changed.

元の言語English
ホスト出版物のタイトルASME-JSME-KSME 2011 Joint Fluids Engineering Conference, AJK 2011
ページ349-352
ページ数4
DOI
出版物ステータスPublished - 2011 12 1
イベントASME-JSME-KSME 2011 Joint Fluids Engineering Conference, AJK 2011 - Hamamatsu, Japan
継続期間: 2011 7 242011 7 29

出版物シリーズ

名前ASME-JSME-KSME 2011 Joint Fluids Engineering Conference, AJK 2011
2

Other

OtherASME-JSME-KSME 2011 Joint Fluids Engineering Conference, AJK 2011
Japan
Hamamatsu
期間11/7/2411/7/29

ASJC Scopus subject areas

  • Fluid Flow and Transfer Processes

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  • これを引用

    Sakai, K., & Tokumasu, T. (2011). Molecular dynamics study of oxygen permeation through the ionomer of pefc catalyst layer. : ASME-JSME-KSME 2011 Joint Fluids Engineering Conference, AJK 2011 (pp. 349-352). (ASME-JSME-KSME 2011 Joint Fluids Engineering Conference, AJK 2011; 巻数 2). https://doi.org/10.1115/AJK2011-36020