Proton transport in water confined in carbon nanotubes: A reactive molecular dynamics study

Molecular Simulation

Volumn 36, Issue 7-8, 2010, Pages 568-578

  Esai Selvan, M ^a   Keffer, D J ^a   Cui, S ^a   Paddison, S J ^a  

^a University of Tennessee   (United States)

Author keywords

carbon nanotubes; confinement; proton transport; structural diffusion

Indexed keywords

BULK WATER; CONFINED GEOMETRIES; DIFFUSIVITIES; ENERGETIC FACTORS; HYDRONIUM IONS; OXYGEN ATOM; PREFERENTIAL ORIENTATION; PROTON TRANSFER REACTIONS; PROTON TRANSPORT; RADIAL DENSITY PROFILE; SOLVATION STRUCTURE; STRUCTURAL COMPONENT; STRUCTURAL DIFFUSION; TOTAL CHARGE; TWO-COMPONENT; WATER DIFFUSIVITY; WATER INTERFACE;

CHARGE TRANSFER; DIFFUSION IN LIQUIDS; ELECTRON TRANSITIONS; MOLECULAR DYNAMICS; OXYGEN; PROTONS; REACTION KINETICS; TRANSPORT PROPERTIES;

CARBON NANOTUBES;

EID: 77955460858     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927021003752887     Document Type: Article

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