Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. III. Impact of combining rules on mixtures properties

Journal of Chemical Physics

Volumn 140, Issue 10, 2014, Pages

  Desgranges, Caroline ^a   Delhommelle, Jerome ^a  

^a UNIVERSITY OF NORTH DAKOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; METABOLISM; MOLECULAR STRUCTURE; THERMODYNAMICS; UREA;

COMBINING RULES; HYDRATION FREE ENERGIES; LARGEST DEVIATION; LORENTZ-BERTHELOT RULES; MOLECULAR SIMULATIONS; PARTITION FUNCTIONS; PHASE CO-EXISTENCE; SIMULATION APPROACH;

BINARY MIXTURES;

ARGON; CARBON DIOXIDE; NEON; SOLUTION AND SOLUBILITY; UREA; WATER; XENON;

ALGORITHM; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; EVALUATION STUDY; MOLECULAR DYNAMICS; MONTE CARLO METHOD; SOLUTION AND SOLUBILITY; THERMODYNAMICS;

ALGORITHMS; ARGON; CARBON DIOXIDE; COMPUTER SIMULATION; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MONTE CARLO METHOD; NEON; SOLUTIONS; THERMODYNAMICS; UREA; WATER; XENON;

EID: 84896347092     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4867498     Document Type: Article

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