Transferable force field for equilibrium and transport properties in linear, branched, and bifunctional amines I. Primary amines

Journal of Physical Chemistry B

Volumn 115, Issue 49, 2011, Pages 14617-14625

  Orozco, Gustavo A ^a,b   Nieto Draghi, Carlos ^a   MacKie, Allan D ^b   Lachet, Véronique ^a  

^a IFP ENERGIES NOUVELLES   (France)

^b UNIVERSITAT ROVIRA I VIRGILI   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPUTER SIMULATION; FORECASTING; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PHASE EQUILIBRIA; THERMODYNAMIC PROPERTIES; VISCOSITY;

ANISOTROPIC UNITED ATOM; BIFUNCTIONAL; CRITICAL DENSITY; CRITICAL PRESSURES; CRITICAL TEMPERATURES; EQUILIBRIUM DENSITY; ETHYLENE DIAMINE; EXPERIMENTAL DATA; EXPERIMENTAL VALUES; FORCE FIELDS; GIBBS ENSEMBLE; ISOBUTYLAMINE; MONTE CARLO SIMULATION; N-PROPYL; N-PROPYLAMINE; NORMAL BOILING POINTS; PRIMARY AMINES; SHEAR VISCOSITY COEFFICIENTS; VAPORIZATION ENTHALPIES; VISCOSITY COEFFICIENT;

AMINES;

EID: 83455195503     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp207601q     Document Type: Article

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