A density functional theory for vapor-liquid interfaces using the PCP-SAFT equation of state

The Journal of Chemical Physics ◽

10.1063/1.3263124 ◽

2009 ◽

Vol 131 (20) ◽

pp. 204705 ◽

Author(s):

Joachim Gross

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Liquid Interfaces ◽

Functional Theory ◽

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

Industrial & Engineering Chemistry Research ◽

10.1021/ie4029895 ◽

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 ◽

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

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.5b00445 ◽

2015 ◽

Vol 54 (16) ◽

pp. 4633-4642 ◽

Author(s):

Christoph Klink ◽

Barbora Planková ◽

Joachim Gross

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Liquid Interfaces ◽

Functional Theory ◽

Statistical Associating Fluid Theory ◽

Fluid Theory ◽

Theory Equation

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Numerical aspects of classical density functional theory for one-dimensional vapor-liquid interfaces

Fluid Phase Equilibria ◽

10.1016/j.fluid.2017.03.023 ◽

2017 ◽

Vol 444 ◽

pp. 1-12 ◽

Author(s):

Jonas Mairhofer ◽

Joachim Gross

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Liquid Interfaces ◽

Functional Theory ◽

One Dimensional ◽

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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 ◽

Author(s):

Jonas Mairhofer ◽

Bo Xiao ◽

Joachim Gross

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Group Contribution ◽

Liquid Interfaces ◽

Functional Theory ◽

Statistical Associating Fluid Theory ◽

Fluid Theory ◽

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High-Pressure Adsorption of Supercritical Gases on Activated Carbons: An Improved Approach Based on the Density Functional Theory and the Bender Equation of State

Langmuir ◽

10.1021/la030119w ◽

2003 ◽

Vol 19 (20) ◽

pp. 8349-8357 ◽

Author(s):

E. A. Ustinov ◽

D. D. Do

Keyword(s):

Density Functional Theory ◽

High Pressure ◽

Equation Of State ◽

Density Functional ◽

Activated Carbons ◽

Functional Theory ◽

The Density Functional Theory ◽

High Pressure Adsorption

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Wide range equation of state for fluid hydrogen from density functional theory

Physics of Plasmas ◽

10.1063/1.4821839 ◽

2013 ◽

Vol 20 (9) ◽

pp. 092703 ◽

Author(s):

Cong Wang ◽

Ping Zhang

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Functional Theory ◽

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A simple scaling law for the equation of state and the radial distribution functions calculated by density-functional theory molecular dynamics

Physics of Plasmas ◽

10.1063/1.5026045 ◽

2018 ◽

Vol 25 (6) ◽

pp. 060702 ◽

Author(s):

J.-F. Danel ◽

L. Kazandjian

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Equation Of State ◽

Radial Distribution ◽

Density Functional ◽

Scaling Law ◽

Distribution Functions ◽

Radial Distribution Functions ◽

Functional Theory ◽

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On the study of the vapor-liquid interface of associating fluids with classical density functional theory

Fluid Phase Equilibria ◽

10.1016/j.fluid.2020.112744 ◽

2020 ◽

Vol 522 ◽

pp. 112744 ◽

Author(s):

Edgar L. Camacho Vergara ◽

Georgios M. Kontogeorgis ◽

Xiaodong Liang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Liquid Interface ◽

Associating Fluids ◽

Functional Theory ◽

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Vapor–Liquid Coexistence Curves for Methanol and Methane Using Dispersion-Corrected Density Functional Theory

The Journal of Physical Chemistry B ◽

10.1021/jp205072v ◽

2011 ◽

Vol 115 (40) ◽

pp. 11688-11692 ◽

Author(s):

Matthew J. McGrath ◽

I.-F. Will Kuo ◽

Julius N. Ghogomu ◽

Christopher J. Mundy ◽

J. Ilja Siepmann

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

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Density functional theory for the description of spherical non-associating monomers in confined media using the SAFT-VR equation of state and weighted density approximations

The Journal of Chemical Physics ◽

10.1063/1.4869996 ◽

2014 ◽

Vol 140 (13) ◽

pp. 134707 ◽

Author(s):

Carine Malheiro ◽

Bruno Mendiboure ◽

Frédéric Plantier ◽

Felipe J. Blas ◽

Christelle Miqueu

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Functional Theory ◽

Weighted Density ◽

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