Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory

Equation Of State ◽

Density Functional ◽

Solution Theory ◽

Functional Theory ◽

Ideal Adsorbed Solution Theory ◽

Fluid Theory ◽

Theory Equation ◽

Adsorbed Solution

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

10.1021/acs.iecr.5b00445 ◽

2015 ◽

Vol 54 (16) ◽

pp. 4633-4642 ◽

Cited By ~ 21

Author(s):

Christoph Klink ◽

Barbora Planková ◽

Joachim Gross

Keyword(s):

Equation Of State ◽

Density Functional ◽

Liquid Interfaces ◽

Functional Theory ◽

Fluid Theory ◽

Theory Equation

Classical Density Functional Theory for Liquid–Fluid Interfaces and Confined Systems: A Functional for the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State

10.1021/acs.iecr.6b04551 ◽

2017 ◽

Vol 56 (14) ◽

pp. 4119-4135 ◽

Cited By ~ 34

Author(s):

Elmar Sauer ◽

Joachim Gross

Keyword(s):

Equation Of State ◽

Density Functional ◽

Fluid Interfaces ◽

Confined Systems ◽

Functional Theory ◽

Fluid Theory ◽

Theory Equation

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

10.1021/ie4029895 ◽

2014 ◽

Vol 53 (14) ◽

pp. 6169-6178 ◽

Cited By ~ 32

Author(s):

Christoph Klink ◽

Joachim Gross

Keyword(s):

Equation Of State ◽

Density Functional ◽

Liquid Interfaces ◽

Functional Theory ◽

Fluid Theory ◽

Theory Equation ◽

Vapor Liquid

An accurate density functional theory for the vapor-liquid interface of associating chain molecules based on the statistical associating fluid theory for potentials of variable range

The Journal of Chemical Physics ◽

10.1063/1.1807833 ◽

2004 ◽

Vol 121 (24) ◽

pp. 12740 ◽

Cited By ~ 90

Author(s):

Guy J. Gloor ◽

George Jackson ◽

Felipe J. Blas ◽

Elvira Martı́n del Rı́o ◽

Enrique de Miguel

Keyword(s):

Density Functional ◽

Liquid Interface ◽

Functional Theory ◽

Chain Molecules ◽

Variable Range ◽

Fluid Theory ◽

Vapor Liquid

Orbital-free extension to Kohn-Sham density functional theory equation of state calculations: Application to silicon dioxide

Physical Review B ◽

10.1103/physrevb.92.115104 ◽

2015 ◽

Vol 92 (11) ◽

Cited By ~ 10

Author(s):

Travis Sjostrom ◽

Scott Crockett

Keyword(s):

Equation Of State ◽

Silicon Dioxide ◽

Density Functional ◽

Functional Theory ◽

Free Extension ◽

Theory Equation ◽

Orbital Free

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

The Journal of Chemical Physics ◽

10.1063/1.3449143 ◽

2010 ◽

Vol 133 (2) ◽

pp. 024704 ◽

Cited By ~ 62

Author(s):

Fèlix Llovell ◽

Amparo Galindo ◽

Felipe J. Blas ◽

George Jackson

Keyword(s):

Surface Tension ◽

Density Functional ◽

Interfacial Properties ◽

Functional Theory ◽

Chain Molecules ◽

Variable Range ◽

Fluid Theory

An Efficient Algorithm for Molecular Density Functional Theory in Cylindrical Geometry: Application to Interfacial Statistical Associating Fluid Theory (iSAFT)

10.1021/acs.iecr.9b06895 ◽

2020 ◽

Vol 59 (14) ◽

pp. 6716-6728

Author(s):

Shun Xi ◽

Jinlu Liu ◽

Arjun Valiya Parambathu ◽

Yuchong Zhang ◽

Walter G. Chapman

Keyword(s):

Efficient Algorithm ◽

Density Functional ◽

Cylindrical Geometry ◽

Functional Theory ◽

Molecular Density ◽

Fluid Theory

Modified interfacial statistical associating fluid theory: A perturbation density functional theory for inhomogeneous complex fluids

The Journal of Chemical Physics ◽

10.1063/1.2806932 ◽

2007 ◽

Vol 127 (24) ◽

pp. 244904 ◽

Cited By ~ 96

Author(s):

Shekhar Jain ◽

Aleksandra Dominik ◽

Walter G. Chapman

Keyword(s):

Density Functional ◽

Complex Fluids ◽

Functional Theory ◽

Fluid Theory

A classical density functional theory for vapor-liquid interfaces consistent with the heterosegmented group-contribution perturbed-chain polar statistical associating fluid theory

Fluid Phase Equilibria ◽

10.1016/j.fluid.2018.05.016 ◽

2018 ◽

Vol 472 ◽

pp. 117-127 ◽

Cited By ~ 3

Author(s):

Jonas Mairhofer ◽

Bo Xiao ◽

Joachim Gross

Keyword(s):

Density Functional ◽

Group Contribution ◽

Liquid Interfaces ◽

Functional Theory ◽

Fluid Theory ◽

Vapor Liquid

Predicting the Adsorption of Gas Mixtures: Adsorbed Solution Theory versus Classical Density Functional Theory

Langmuir ◽

10.1021/la0200358 ◽

2002 ◽

Vol 18 (26) ◽

pp. 10443-10454 ◽

Cited By ~ 20

Author(s):

M. B. Sweatman ◽

N. Quirke

Keyword(s):

Density Functional ◽

Gas Mixtures ◽

Solution Theory ◽

Functional Theory ◽

Theory Versus ◽

Adsorbed Solution ◽

Adsorbed Solution Theory