J0560105 Molecular Dynamics Simulations of Proton Transport in Cathode Catalyst Layer of PEFC

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  • J0560105 PEFCカソード触媒層のプロトン輸送特性に関する分子諭的研究

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We have investigated proton transport property in polymer thin films in cathode catalyst layer (CL) of polymer electrolyte fuel cell using molecular dynamics simulations to characterize nanoscopic flow phenomena observed in CL. In the CL, polymer thin films cover supported carbon, and it is well known that the wettability of supported carbon depends on operating environments and materials. Therefore we have focused on the effect of the wettability of supported carbon on the structure of polymer thin films and proton transport. In this study, three different wettability surfaces, which are hydrophobic, intermediate, and hydrophilic, respectively, were used. It was found that the structure of polymer thin films strongly depends on the wettability of surface. Especially, the distribution of water molecules is different depending on the characteristic of each surface, leading to distinctive proton transport property because water clusters are served as a proton conductive path. A correlation between the structure of polymer thin films and the proton transport was also discussed.

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