High Performance Nanocomposite Proton-exchange Membranes for Fuel Cell Applications

Nanocomposite proton-exchange membranes of Nafion and hydroxyapatite were studied by using classical all-atom molecular dynamics simulations methods to examine the structural behavior of Nafion in its nanocomposite membranes used for fuel cells. Evaluation of radial distribution function of sulfur atoms of sulfonic acid group with respect to each other showed the presence of strong correlations between sulfur atoms implying the significant localization of sulfonic acid groups near each other in nanocomposite membrane compared to unmodified Nafion membrane. Additionally, from the concentration profile analysis of sulfur atoms, it was found that Nafion chains has moved towards the hydroxyapatite surface because of the strong interactions between the Nafion side chain and hydroxyapatite surface atoms.