TY - JOUR
T1 - Molecular analysis of structural effect of ionomer on oxygen permeation properties in PEFC
AU - Kurihara, Yuya
AU - Mabuchi, Takuya
AU - Tokumasu, Takashi
N1 - Funding Information:
The authors thank the New Energy and Industrial Technology Development Organization (NEDO), Japan, for their financial support. This research was performed using the super computer system of Institute of Fluid Science, Tohoku University, Japan. This research was supported by the JSPS Core-to-Core Program, A. Advanced Research Networks, “International research core on smart layered materials and structures for energy saving”.
Funding Information:
The authors thank the New Energy and Industrial Technology Development Organization (NEDO), Japan, for their financial support. This research was performed using the super computer system of Institute of Fluid Science, Tohoku University, Japan. This research was supported by the JSPS Core-to-Core Program, A. Advanced Research Networks, ?International research core on smart layered materials and structures for energy saving?.
Publisher Copyright:
© 2017 The Electrochemical Society. All rights reserved.
PY - 2017
Y1 - 2017
N2 - Molecular dynamics simulations were performed to analyze the water content dependence of the structural properties of ionomer and the oxygen permeation properties in ionomer on a Pt surface. The ionomer/gas interface, bulk region, and ionomer/Pt interface were defined based on the density distribution of ionomer. Oxygen pathways are clearly observed in the ionomer/Pt interface for quite a long period. It was found that the oxygen permeability decreases with increasing water content, which is the opposite of what takes place in the Nafion membranes. Then the oxygen diffusivity, solubility, and permeability in each region were analyzed. It was found that the oxygen permeability in the ionomer/Pt interface was dominant in the oxygen permeability in the ionomer. Furthermore, a decrease in the oxygen solubility has a larger effect on the water content dependence of oxygen permeability. Considering the structural properties of the ionomer, the oxygen solubility in the ionomer/Pt interface decreased because the voids were blocked at higher water content.
AB - Molecular dynamics simulations were performed to analyze the water content dependence of the structural properties of ionomer and the oxygen permeation properties in ionomer on a Pt surface. The ionomer/gas interface, bulk region, and ionomer/Pt interface were defined based on the density distribution of ionomer. Oxygen pathways are clearly observed in the ionomer/Pt interface for quite a long period. It was found that the oxygen permeability decreases with increasing water content, which is the opposite of what takes place in the Nafion membranes. Then the oxygen diffusivity, solubility, and permeability in each region were analyzed. It was found that the oxygen permeability in the ionomer/Pt interface was dominant in the oxygen permeability in the ionomer. Furthermore, a decrease in the oxygen solubility has a larger effect on the water content dependence of oxygen permeability. Considering the structural properties of the ionomer, the oxygen solubility in the ionomer/Pt interface decreased because the voids were blocked at higher water content.
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U2 - 10.1149/2.1301706jes
DO - 10.1149/2.1301706jes
M3 - Article
AN - SCOPUS:85027706280
VL - 164
SP - F628-F637
JO - Journal of the Electrochemical Society
JF - Journal of the Electrochemical Society
SN - 0013-4651
IS - 6
ER -
