Molecular dynamics simulations of proton transport in 3M and nafion perfluorosulfonic acid membranes

Journal of Physical Chemistry C

Volumn 117, Issue 16, 2013, Pages 8079-8091

  Tse, Ying Lung Steve ^a,c   Herring, Andrew M ^a   Kim, Kwiseon ^b   Voth, Gregory A ^c  

^a Department of Geology and Geological Engineering   (United States)

^b NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

^c UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EXPERIMENTAL VALUES; GROTTHUSS MECHANISM; MOLECULAR DYNAMICS SIMULATIONS; MULTISTATE EMPIRICAL VALENCE BOND METHOD; OTHER PROPERTIES; PERFLUOROSULFONIC ACID MEMBRANES; RADIAL DISTRIBUTION FUNCTIONS; SELF-DIFFUSION CONSTANT;

DIFFUSION; HYDRATION; ITERATIVE METHODS;

MOLECULAR DYNAMICS;

EID: 84876843303     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp400693g     Document Type: Article

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