Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: The case of carbon dioxide

Journal of Chemical Physics

Volumn 128, Issue 10, 2008, Pages

  Mognetti, B M ^a   Yelash, L ^a   Virnau, P ^a   Paul, W ^a   Binder, K ^a   Muller M ^b   MacDowell, L G ^c  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b UNIVERSITY OF GÖTTINGEN   (Germany)

^c UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

MATHEMATICAL MODELS; MOLECULAR INTERACTIONS; PERTURBATION TECHNIQUES; THERMAL EFFECTS; THERMODYNAMIC PROPERTIES;

COARSE-GRAINED MODELS; QUADRUPOLAR FLUIDS; QUADRUPOLE-QUADRUPOLE INTERACTION; VAPOR-LIQUID COEXISTENCE CURVES;

CARBON DIOXIDE;

EID: 40849097793     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2837291     Document Type: Article

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