Simulation study of structural, transport, and thermodynamic properties of TIP4P/2005 water in single-walled carbon nanotubes

Journal of Physical Chemistry B

Volumn 116, Issue 2, 2012, Pages 751-762

  Guse, Christa ^a   Hentschke, Reinhard ^a  

^a UNIVERSITY OF WUPPERTAL   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CARBON; COMPUTER SIMULATION; HYDROGEN BONDS; MONTE CARLO METHODS; THERMODYNAMIC PROPERTIES;

AXIAL PRESSURES; BULK WATER; CONTINUUM LIMITS; DENSITY MAXIMA; DENSITY PROFILE; DIAMETER DEPENDENT; DIFFUSION CONSTANT; GRAND CANONICAL MONTE CARLO; HEATS OF ADSORPTION; HYDROGEN BOND NETWORKS; PRESSURE TENSORS; SIMULATION STUDIES; STRONG INTERACTION;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 84856055346     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp210193w     Document Type: Article

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