scholarly journals Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range

2010 ◽  
Vol 133 (2) ◽  
pp. 024704 ◽  
Author(s):  
Fèlix Llovell ◽  
Amparo Galindo ◽  
Felipe J. Blas ◽  
George Jackson
Keyword(s):  
Density Functional Theory ◽  
Surface Tension ◽  
Density Functional ◽  
Interfacial Properties ◽  
Functional Theory ◽  
Statistical Associating Fluid Theory ◽  
Chain Molecules ◽  
Variable Range ◽  
Fluid Theory

scholarly journals An accurate density functional theory for the vapor–liquid interface of chain molecules based on the statistical associating fluid theory for potentials of variable range for Mie chainlike fluids

2019 ◽  
Vol 21 (22) ◽  
pp. 11937-11948 ◽  
Author(s):  
Jesús Algaba ◽  
José Manuel Míguez ◽  
Bruno Mendiboure ◽  
Felipe J. Blas
Keyword(s):  
Density Functional ◽  
Helmholtz Free Energy ◽  
Free Energy Density ◽  
Liquid Interface ◽  
Energy Density Functional ◽  
Functional Theory ◽  
Statistical Associating Fluid Theory ◽  
Chain Molecules ◽  
Fluid Theory ◽  
Vapor Liquid

A new Helmholtz free energy density functional is presented to predict the vapor–liquid interface of chainlike molecules.

scholarly journals Vapour–liquid interfacial properties of square-well chains from density functional theory and Monte Carlo simulation

2017 ◽  
Vol 19 (19) ◽  
pp. 12296-12309 ◽  
Author(s):  
Francisco José Martínez-Ruiz ◽  
Felipe J. Blas ◽  
A. Ignacio Moreno-Ventas Bravo ◽  
José Manuel Míguez ◽  
Luis G. MacDowell
Keyword(s):  
Density Functional Theory ◽  
Surface Tension ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Density Functional ◽  
Liquid Surface ◽  
Interfacial Properties ◽  
Functional Theory ◽  
Liquid Surface Tension ◽  
Square Well

Vapour–liquid surface tension for tangent (open symbols) and vibrating (filled symbols) square-well chains.

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