Atomistic and coarse-grained molecular dynamics simulation of a cross-linked sulfonated poly(1,3-cyclohexadiene)-based proton exchange membrane

Macromolecules

Volumn 45, Issue 16, 2012, Pages 6669-6685

  Wang, Qifei ^a   Suraweera, Nethika S ^a   Keffer, David J ^a   Deng, Suxiang ^b   Mays, Jimmy ^b  

^a University of Tennessee   (United States)

^b UNIVERSITY OF TENNESSEE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

1 ,3-CYCLOHEXADIENE; ANALYTICAL THEORY; ATOMISTIC LEVELS; ATOMISTIC SIMULATIONS; BOLTZMANN INVERSION; COARSE-GRAINED; COARSE-GRAINED MOLECULAR DYNAMICS SIMULATIONS; EXPERIMENTAL MEASUREMENTS; HYDRATED MEMBRANES; HYDRATION LEVELS; IMPLICIT SOLVENTS; ION PAIRS; ION TRANSPORTS; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR LEVELS; MULTI-SCALE MODELING; PAIR CORRELATION FUNCTIONS; PROTON EXCHANGE MEMBRANES; SELF-DIFFUSIVITY; WATER-WATER;

IONS; MEMBRANE STRUCTURES; MOLECULAR DYNAMICS; POLYMERS; PROTON EXCHANGE MEMBRANE FUEL CELLS (PEMFC);

HYDRATION;

EID: 84865586052     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma300383z     Document Type: Article

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