Associating fluids with four bonding sites against a hard wall: density functional theory

By CHAD J. SEGURA; WALTER G. CHAPMAN and KESHAWA P. SHUKLA

doi:10.1080/002689797172110

Associating fluids with four bonding sites against a hard wall: density functional theory

Molecular Physics ◽

10.1080/002689797172110 ◽

1997 ◽

Vol 90 (5) ◽

pp. 759-772 ◽

Cited By ~ 118

Author(s):

By CHAD J. SEGURA ◽

WALTER G. CHAPMAN and KESHAWA P. SHUKLA

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hard Wall ◽

Associating Fluids ◽

Functional Theory

Download Full-text

Associating fluids with four bonding sites against a hard wall: density functional theory

Molecular Physics ◽

10.1080/00268979709482661 ◽

1997 ◽

Vol 90 (5) ◽

pp. 759-771 ◽

Cited By ~ 16

Author(s):

CHAD SEGURA ◽

WALTER CHAPMAN ◽

KESHAWA SHUKLA

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hard Wall ◽

Associating Fluids ◽

Functional Theory

Download Full-text

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 ◽

Cited By ~ 1

Author(s):

Edgar L. Camacho Vergara ◽

Georgios M. Kontogeorgis ◽

Xiaodong Liang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Liquid Interface ◽

Associating Fluids ◽

Functional Theory ◽

Vapor Liquid

Download Full-text

Application of density functional theory for predicting the surface tension of pure polar and associating fluids

Fluid Phase Equilibria ◽

10.1016/s0378-3812(01)00692-6 ◽

2002 ◽

Vol 194-197 ◽

pp. 755-769 ◽

Cited By ~ 16

Author(s):

Jiu-Fang Lu ◽

Dong Fu ◽

Jin-Chen Liu ◽

Yi-Gui Li

Keyword(s):

Density Functional Theory ◽

Surface Tension ◽

Density Functional ◽

Associating Fluids ◽

Functional Theory

Download Full-text

Hard dumbbells in contact with a hard wall: An application of the density functional theory

The Journal of Chemical Physics ◽

10.1063/1.461377 ◽

1991 ◽

Vol 95 (10) ◽

pp. 7513-7517 ◽

Cited By ~ 15

Author(s):

S. Sokol/owski

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hard Wall ◽

Functional Theory ◽

The Density Functional Theory

Download Full-text

Binary associating fluid mixtures against a hard wall: density functional theory and simulation

Molecular Physics ◽

10.1080/00268970150200442 ◽

2001 ◽

Vol 99 (1) ◽

pp. 1-12 ◽

Cited By ~ 6

Author(s):

Chad J. Segura, Jie Zhang, Walter G. Cha

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hard Wall ◽

Functional Theory ◽

Fluid Mixtures

Download Full-text

Vapor−Liquid Equilibria and Interfacial Tensions of Associating Fluids within a Density Functional Theory

Industrial & Engineering Chemistry Research ◽

10.1021/ie049788a ◽

2005 ◽

Vol 44 (5) ◽

pp. 1120-1128 ◽

Cited By ~ 38

Author(s):

Dong Fu ◽

Jianzhong Wu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Associating Fluids ◽

Functional Theory ◽

Interfacial Tensions ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

Download Full-text

Adsorption of Lennard−Jones Molecules on a Hard Wall: A Case Study in the Star-Function Based Density Functional Theory†

Journal of Chemical & Engineering Data ◽

10.1021/je900899a ◽

2010 ◽

Vol 55 (5) ◽

pp. 1897-1903 ◽

Cited By ~ 4

Author(s):

Lloyd L. Lee

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hard Wall ◽

Functional Theory ◽

Lennard Jones

Download Full-text

A comparison of integral equations and density functional theory versus Monte Carlo for hard dumbbells near a hard wall

The Journal of Chemical Physics ◽

10.1063/1.469549 ◽

1995 ◽

Vol 102 (12) ◽

pp. 4991-4995 ◽

Cited By ~ 9

Author(s):

Douglas Henderson ◽

Jacqueline Quintana ◽

Stefan Sokol/owski

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Integral Equations ◽

Density Functional ◽

Hard Wall ◽

Functional Theory ◽

Theory Versus

Download Full-text

Binary associating fluid mixtures against a hard wall: density functional theory and simulation

Molecular Physics ◽

10.1080/00268970109483483 ◽

2001 ◽

Vol 99 (1) ◽

pp. 1-12 ◽

Cited By ~ 21

Author(s):

CHAD J. SEGURA ◽

JIE ZHANG ◽

WALTER G. CHAPMAN

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hard Wall ◽

Functional Theory ◽

Fluid Mixtures

Download Full-text

Adsorption of Associating Fluids on Solid Surfaces: Wetting Transition from Density Functional Theory

The Journal of Physical Chemistry B ◽

10.1021/jp982382p ◽

1999 ◽

Vol 103 (21) ◽

pp. 4466-4473 ◽

Cited By ~ 25

Author(s):

Andrzej Patrykiejew ◽

Stefan Sokołowski

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Solid Surfaces ◽

Wetting Transition ◽

Associating Fluids ◽

Functional Theory

Download Full-text