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

Carine Malheiro; Bruno Mendiboure; Frédéric Plantier; Felipe J. Blas; Christelle Miqueu

doi:10.1063/1.4869996

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 ◽

Cited By ~ 21

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 ◽

Confined Media

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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 ◽

Cited By ~ 27

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 ◽

Cited By ~ 22

Author(s):

Cong Wang ◽

Ping Zhang

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Functional Theory ◽

Wide Range ◽

Range Equation

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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 ◽

Cited By ~ 2

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 ◽

Simple Scaling

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Weighted-density-functional theory of inhomogeneous liquids and the freezing transition

Physical Review A ◽

10.1103/physreva.32.2909 ◽

1985 ◽

Vol 32 (5) ◽

pp. 2909-2919 ◽

Cited By ~ 426

Author(s):

W. A. Curtin ◽

N. W. Ashcroft

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Weighted Density ◽

Freezing Transition ◽

Inhomogeneous Liquids

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Self-consistent density functional theory and the equation of state for simple fluids

Molecular Physics ◽

10.1080/002689798167502 ◽

1998 ◽

Vol 94 (6) ◽

pp. 929-935 ◽

Cited By ~ 25

Author(s):

YAAKOV ROSENFELD

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Functional Theory ◽

Simple Fluids ◽

Self Consistent

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Comment on ‘‘Modified weighted-density-functional theory of nonuniform classical liquids’’

Physical Review A ◽

10.1103/physreva.41.2222 ◽

1990 ◽

Vol 41 (4) ◽

pp. 2222-2223 ◽

Cited By ~ 11

Author(s):

Soon-Chul Kim ◽

Gerald L. Jones

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Weighted Density

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Weighted density functional theory of the solvophobic effect

Physical Review E ◽

10.1103/physreve.64.021512 ◽

2001 ◽

Vol 64 (2) ◽

Cited By ~ 10

Author(s):

Sean X. Sun

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Weighted Density ◽

Solvophobic Effect

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Weighted-density-functional theory of nonuniform ionic fluids: Application to electric double layers

Physical Review E ◽

10.1103/physreve.47.4088 ◽

1993 ◽

Vol 47 (6) ◽

pp. 4088-4097 ◽

Cited By ~ 50

Author(s):

Chandra N. Patra ◽

Swapan K. Ghosh

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Double Layers ◽

Functional Theory ◽

Electric Double Layers ◽

Weighted Density ◽

Ionic Fluids

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Prediction of Contact Angles and Density Profiles of Sessile Droplets Using Classical Density Functional Theory Based on the PCP-SAFT Equation of State

Langmuir ◽

10.1021/acs.langmuir.8b01985 ◽

2018 ◽

Vol 34 (42) ◽

pp. 12519-12531 ◽

Cited By ~ 9

Author(s):

Elmar Sauer ◽

Alexandros Terzis ◽

Marc Theiss ◽

Bernhard Weigand ◽

Joachim Gross

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Contact Angles ◽

Density Profiles ◽

Functional Theory

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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 ◽

Cited By ~ 75

Author(s):

Joachim Gross

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Liquid Interfaces ◽

Functional Theory ◽

Vapor Liquid

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