Prediction of viscosities and vapor-liquid equilibria for five polyhydric alcohols by molecular simulation

Fluid Phase Equilibria

Volumn 260, Issue 2, 2007, Pages 218-231

  Kelkar, Manish S ^a   Rafferty, Jake L ^b   Maginn, Edward J ^a   Ilja Siepmann, J ^b  

^a University of Notre Dame   (United States)

^b UNIVERSITY OF MINNESOTA   (United States)

Author keywords

Molecular simulation; Polyhydric alcohols; Thermo physical property prediction; Vapor liquid equilibria; Viscosity

Indexed keywords

ALCOHOLS; COMPUTER SIMULATION; GIBBS FREE ENERGY; HYDROGEN BONDS; MOLECULAR DYNAMICS; SHEAR DEFORMATION; VISCOSITY;

BUTANETRIOL MODELED; LIQUID STRUCTURE; MOLECULAR SIMULATION; POLYHYDRIC ALCOHOLS; THERMO PHYSICAL PROPERTY PREDICTION;

PHASE EQUILIBRIA;

ALCOHOLS; COMPUTER SIMULATION; GIBBS FREE ENERGY; HYDROGEN BONDS; MOLECULAR DYNAMICS; PHASE EQUILIBRIA; SHEAR DEFORMATION; VISCOSITY;

EID: 35148882599     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2007.06.033     Document Type: Article

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