Modified PT-LJ-SAFT Density Functional Theory. I. Prediction of surface properties and phase equilibria of non-associating fluids

Fluid Phase Equilibria

Volumn 270, Issue 1-2, 2008, Pages 50-61

  Kahl, H ^a   Winkelmann, J ^a  

^a MARTIN LUTHER UNIVERSITY HALLE WITTENBERG   (Germany)

Author keywords

Density Functional Theory; Interface; Liquid vapor; SAFT; Surface tension

Indexed keywords

ASSOCIATION REACTIONS; CAPILLARITY; CHEMICAL ENGINEERING; DISCRETE FOURIER TRANSFORMS; FLOW INTERACTIONS; FREE ENERGY; HYDROCARBONS; INTERFACIAL ENERGY; LIQUID PHASE EPITAXY; LIQUIDS; ORGANIC COMPOUNDS; PARAFFINS; PERTURBATION TECHNIQUES; PHASE EQUILIBRIA; PHOTOTRANSISTORS; PROBABILITY DENSITY FUNCTION; SPHERES; SURFACE CHEMISTRY; SURFACE PROPERTIES; SURFACE TENSION; SURFACE WAVES; SYNTHETIC APERTURES; TRACE ANALYSIS; VAPORS; WETTING;

DENSITY-FUNCTIONAL APPROACH; EXPERIMENTAL DATA; FLUID THEORY; FREE-ENERGY FUNCTIONAL; HELMHOLTZ FREE-ENERGY; HIGH FLEXIBILITY; HYDROCARBON FLUIDS; INTERACTION MODELING; INTERACTION POTENTIALS; INTERFACE; INTERFACIAL BEHAVIORS; INTERFACIAL PROPERTIES; LENNARD-JONES; LENNARD-JONES INTERACTION POTENTIAL; LENNARD-JONES POTENTIALS; LIQUID-VAPOR; MESO-SCALE; NON-ASSOCIATING FLUIDS; PERTURBATION DENSITY FUNCTIONAL THEORY; SAFT; SEMI-EMPIRICAL MODELING; SIMULATION DATA; TANGENT SPHERES; THERMAL FLUCTUATIONS; VAPOR-LIQUID EQUILIBRIUM DATA; VAPOR-LIQUID PHASE EQUILIBRIUM;

DENSITY FUNCTIONAL THEORY;

EID: 49549104442     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2008.06.002     Document Type: Article

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