Extension of the anisotropic united atoms intermolecular potential to amines, amides and alkanols: Application to the problems of the 2004 fluid simulation challenge

Fluid Phase Equilibria

Volumn 236, Issue 1-2, 2005, Pages 25-41

  Boutard, Y ^a   Ungerer, Ph ^a,b   Teuler, J M ^b   Ahunbay, M G ^b   Sabater, S F ^c   Perez Pellitero J ^c   MacKie, A D ^c   Bourasseau, E ^b,d  

^a IFP ENERGIES NOUVELLES   (France)

^b UNIVERSITÉ PARIS SACLAY   (France)

^c UNIVERSITAT ROVIRA I VIRGILI   (Spain)

^d Direction des Applications Militaires ^*  (France)

Author keywords

Alcohol; Amines; Heat of mixing; Henry constant; Molecular simulation; Vapor liquid equilibrium

Indexed keywords

ALCOHOLS; AMINES; ANISOTROPY; ELECTROSTATICS; OPTIMIZATION; SIMULATION;

HEAT OF MIXING; HENRY CONSTANT; VAPOR LIQUID EQUILIBRIUM;

ATOMS;

ANISOTROPIC MEDIUM; FLUID MECHANICS; MATHEMATICAL ANALYSIS;

EID: 24944549484     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2005.06.009     Document Type: Article

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