Liquid-vapor equilibrium isotopic fractionation of water: How well can classical water models predict it?

Journal of Chemical Physics

Volumn 130, Issue 9, 2009, Pages

  Chialvo, Ariel A ^a   Horita, Juske ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DYNAMICS; FREE ENERGY; ISOTOPES; LIQUIDS; MOLECULAR DYNAMICS; MOSFET DEVICES; PHASE EQUILIBRIA; PRESSURE EFFECTS; QUANTUM ELECTRONICS; VAPOR PRESSURE; WATER VAPOR;

DATA-SETS; EXPERIMENTAL DATUM; FREE ENERGY PERTURBATIONS; GAUSSIAN CHARGE POLARIZABLE MODELS; GIBBS ENSEMBLE MONTE CARLO; INTERMOLECULAR POTENTIAL MODELS; ISOTOPIC EFFECTS; ISOTOPIC FRACTIONATIONS; LIQUID-VAPOR EQUILIBRIUM; MICROSCOPIC INTERPRETATIONS; QUANTUM EFFECTS; REALISTIC MODELS; SIMPLE POINT CHARGES; SIMULATION RESULTS; TEMPERATURE DEPENDENCES; THERMODYNAMIC MODELING; WATER MODELS;

DISTILLATION;

EID: 62249122559     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3082401     Document Type: Article

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