A Fully Flexible Potential Model for Carbon Dioxide

Chinese Journal of Chemical Engineering

Volumn 17, Issue 2, 2009, Pages 268-272

  ZHU, Aimei ^a   ZHANG, Xinbo ^a   LIU, Qinglin ^a   ZHANG, Qiugen ^a  

^a XIAMEN UNIVERSITY   (China)

Author keywords

carbon dioxide; fully flexible potential model; molecular simulations; radial distributions

Indexed keywords

AVERAGE ABSOLUTE DEVIATIONS; BOND ANGLES; CAR-PARRINELLO MOLECULAR-DYNAMICS; CRITICAL PROPERTIES; EXPERIMENTAL DATUM; FULLY FLEXIBLE POTENTIAL MODEL; GIBBS ENSEMBLE MONTE CARLO; LARGE DEVIATIONS; MOLECULAR SIMULATIONS; NONLINEAR MOLECULES; PHYSICAL MODELS; POTENTIAL PARAMETERS; PRESSURE AND TEMPERATURES; RADIAL DISTRIBUTION FUNCTIONS; RADIAL DISTRIBUTIONS; RESCALING; SATURATED LIQUIDS; SELF-DIFFUSION COEFFICIENTS; SUPERCRITICAL CARBON DIOXIDES; SUPERCRITICAL CONDITIONS; SUPERCRITICAL STATE; VAPOR DENSITIES; VAPOR LIQUIDS;

BOND LENGTH; CARBON DIOXIDE; DISTRIBUTION FUNCTIONS; LIQUIDS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; THERMOCHEMISTRY; VAPORS;

SUPERCRITICAL FLUID EXTRACTION;

EID: 65549087402     PISSN: 10049541     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1004-9541(08)60204-9     Document Type: Article

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