Reactive molecular dynamics study of proton transport in polymer electrolyte membranes

Journal of Physical Chemistry C

Volumn 115, Issue 38, 2011, Pages 18835-18846

  Selvan, Myvizhi Esai ^a   Keffer, David J ^a,b   Cui, Shengting ^a  

^a University of Tennessee Knoxville   (United States)

^b Yonsei University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SYSTEM; BULK WATER; CHARGE DIFFUSION; DIFFUSION COEFFICIENTS; DYNAMICAL PROPERTIES; EQUIVALENT WEIGHT; HYDRATION LEVELS; HYDROGEN BONDING NETWORK; INSTANTANEOUS REACTION; LOCAL ENVIRONMENTS; MD SIMULATION; MEAN LIFETIME; NEGATIVE CORRELATION; NONREACTIVE SYSTEMS; POLYMER ELECTROLYTE MEMBRANES; PROTON TRANSPORT; REACTIVE SYSTEM; STRUCTURAL COMPONENT; STRUCTURAL DIFFUSION; SULFONATE GROUPS; TOTAL CHARGE; TWO-COMPONENT; WATER DIFFUSIVITY;

ALGORITHMS; DIFFUSION IN LIQUIDS; DYNAMICS; HYDROGEN; HYDROGEN BONDS; MOLECULAR DYNAMICS; RATE CONSTANTS; REACTION KINETICS; WATER CONTENT;

PROTONS;

EID: 80053068408     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp203443c     Document Type: Article

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