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- W2037352307 endingPage "10827" @default.
- W2037352307 startingPage "10827" @default.
- W2037352307 abstract "Aciplex is a perfluorosulfonic acid (PFSA) polymer electrolyte membrane, where its efficiency depends on hydration and temperature. In the present work, the nanostructure of the Aciplex membrane and transport of hydronium ions and water molecules are characterized using classical molecular dynamics simulations at varying hydrations and temperatures. An examination of radial distribution functions and scattering intensities shows that temperature has a negligible effect on membrane nanostructure at all hydration levels. The calculated structural factors and scattering intensities of water molecules closely resemble the experimental SAXS and SANS features of PFSA membranes. Further, for all hydration, the strong interactions between sulfonate groups of the pendant side chain arise only from inter-chain interactions. The stiffness of a pendant side chain limits the possibility of intra-chain interactions between sulfonate groups. The distance between adjacent sulfonate groups shows a variation of 3 Å from an average distance of 25 Å which shows a suitable orientation of the pendant side chain to maximize water–hydronium interactions with the sulfonate group. The radius of gyration shows an insignificant change with hydration and temperature which demonstrates that the membrane is a suitable electrolytic component for PEM fuel cells. The calculated diffusion coefficients of hydronium ions and water molecules are found to be in reasonable agreement with experimental data. The enlarged hydrophobic domains assisted by the rigid pendant side chain in a hydrated Aciplex membrane results in lower mobility of water molecules compared to Nafion." @default.
- W2037352307 created "2016-06-24" @default.
- W2037352307 creator A5030644736 @default.
- W2037352307 creator A5050885573 @default.
- W2037352307 date "2012-01-01" @default.
- W2037352307 modified "2023-10-16" @default.
- W2037352307 title "Atomistic simulations of structure and dynamics of hydrated Aciplex polymer electrolyte membrane" @default.
- W2037352307 cites W1576668315 @default.
- W2037352307 cites W1966078827 @default.
- W2037352307 cites W1967426061 @default.
- W2037352307 cites W1967800787 @default.
- W2037352307 cites W1969455275 @default.
- W2037352307 cites W1970615135 @default.
- W2037352307 cites W1972585338 @default.
- W2037352307 cites W1976394244 @default.
- W2037352307 cites W1976405683 @default.
- W2037352307 cites W1978101863 @default.
- W2037352307 cites W1978361525 @default.
- W2037352307 cites W1980358010 @default.
- W2037352307 cites W1981724546 @default.
- W2037352307 cites W1983021483 @default.
- W2037352307 cites W1988276039 @default.
- W2037352307 cites W1988422679 @default.
- W2037352307 cites W1989110104 @default.
- W2037352307 cites W1989450404 @default.
- W2037352307 cites W1989886890 @default.
- W2037352307 cites W1990208157 @default.
- W2037352307 cites W1992213734 @default.
- W2037352307 cites W1994838073 @default.
- W2037352307 cites W2002015916 @default.
- W2037352307 cites W2003453488 @default.
- W2037352307 cites W2003927823 @default.
- W2037352307 cites W2009592144 @default.
- W2037352307 cites W2011291654 @default.
- W2037352307 cites W2015176992 @default.
- W2037352307 cites W2015928039 @default.
- W2037352307 cites W2016938234 @default.
- W2037352307 cites W2018359435 @default.
- W2037352307 cites W2023471031 @default.
- W2037352307 cites W2025346738 @default.
- W2037352307 cites W2026509698 @default.
- W2037352307 cites W2032496486 @default.
- W2037352307 cites W2035100871 @default.
- W2037352307 cites W2035266068 @default.
- W2037352307 cites W2035687084 @default.
- W2037352307 cites W2039107936 @default.
- W2037352307 cites W2040084221 @default.
- W2037352307 cites W2046001409 @default.
- W2037352307 cites W2046941894 @default.
- W2037352307 cites W2049475242 @default.
- W2037352307 cites W2051381895 @default.
- W2037352307 cites W2051939800 @default.
- W2037352307 cites W2057477511 @default.
- W2037352307 cites W2059149370 @default.
- W2037352307 cites W2060345580 @default.
- W2037352307 cites W2062412036 @default.
- W2037352307 cites W2064882890 @default.
- W2037352307 cites W2065033779 @default.
- W2037352307 cites W2065799704 @default.
- W2037352307 cites W2067142118 @default.
- W2037352307 cites W2067174909 @default.
- W2037352307 cites W2068639446 @default.
- W2037352307 cites W2072076590 @default.
- W2037352307 cites W2073476357 @default.
- W2037352307 cites W2078184681 @default.
- W2037352307 cites W2081532958 @default.
- W2037352307 cites W2084628727 @default.
- W2037352307 cites W2085872790 @default.
- W2037352307 cites W2086538891 @default.
- W2037352307 cites W2091975616 @default.
- W2037352307 cites W2092561071 @default.
- W2037352307 cites W2094255943 @default.
- W2037352307 cites W2096701335 @default.
- W2037352307 cites W2098432400 @default.
- W2037352307 cites W2116223045 @default.
- W2037352307 cites W2122020716 @default.
- W2037352307 cites W2132629607 @default.
- W2037352307 cites W2141607915 @default.
- W2037352307 cites W2143100625 @default.
- W2037352307 cites W2143443629 @default.
- W2037352307 cites W2150883795 @default.
- W2037352307 cites W2156564617 @default.
- W2037352307 cites W2159038917 @default.
- W2037352307 cites W2159726220 @default.
- W2037352307 cites W2159898685 @default.
- W2037352307 cites W2165346850 @default.
- W2037352307 cites W2165779834 @default.
- W2037352307 cites W2169398350 @default.
- W2037352307 cites W2317071789 @default.
- W2037352307 cites W2322467476 @default.
- W2037352307 cites W2328544013 @default.
- W2037352307 cites W2332886019 @default.
- W2037352307 doi "https://doi.org/10.1039/c2sm26561c" @default.
- W2037352307 hasPublicationYear "2012" @default.
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