A Density Functional Theory for Vapor–Liquid Interfaces of Mixtures Using the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State

2014 ◽  
Vol 53 (14) ◽  
pp. 6169-6178 ◽  
Author(s):  
Christoph Klink ◽  
Joachim Gross
Keyword(s):  
Density Functional Theory ◽  
Equation Of State ◽  
Density Functional ◽  
Liquid Interfaces ◽  
Functional Theory ◽  
Statistical Associating Fluid Theory ◽  
Fluid Theory ◽  
Theory Equation ◽  
Vapor Liquid

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.

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