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• W2063772425 startingPage "7754" @default.
• W2063772425 abstract "Orientational anisotropies are calculated from molecular dynamics simulations of bulk water and the Na+ and H+ forms of hydrated Nafion and then compared with corresponding experimental values. The extended jump model of Laage and Hynes is applied to water reorientations for each system, and the anisotropies are explored as a product of hydrogen bond restricted “wobble-in-a-cone” reorientations and that due to the discrete jumps of hydrogen bond reorganization. Additionally, the timescales of hydrogen bond switching and proton transport are presented for bulk water and the H+ form of hydrated Nafion. The short time scale of proton hopping is found to be independent of Nafion water loading, suggesting the short time dynamics of proton hopping are relatively insensitive to the level of hydration. Furthermore, the long time decay for the forward rate of hydrogen bond switching is shown to be identical to the long time decay in the forward rate of proton hopping, for bulk water and all water loadings of Nafion investigated, suggesting a unified process." @default.
• W2063772425 created "2016-06-24" @default.
• W2063772425 creator A5021058127 @default.
• W2063772425 creator A5051191590 @default.
• W2063772425 creator A5088327041 @default.
• W2063772425 date "2008-06-06" @default.
• W2063772425 modified "2023-09-30" @default.
• W2063772425 title "Orientational Dynamics of Water in the Nafion Polymer Electrolyte Membrane and Its Relationship to Proton Transport" @default.
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• W2063772425 doi "https://doi.org/10.1021/jp800221x" @default.
• W2063772425 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/18533697" @default.
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