Nonuniform Associating Fluids

Computational Methods in Surface and Colloid Science ◽

10.1201/9780429115813-4 ◽

2019 ◽

pp. 167-243

Author(s):

Małgorzata Borówko ◽

Stefan Sokołowski ◽

Orest Pizio

Keyword(s):

Associating Fluids

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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 ◽

Author(s):

CHAD SEGURA ◽

WALTER CHAPMAN ◽

KESHAWA SHUKLA

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hard Wall ◽

Associating Fluids ◽

Functional Theory

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Replica Ornstein—Zernike theory for chemically associating fluids with directional forces in disordered porous media: Smith—Nezbeda model in a hard sphere matrix

Molecular Physics ◽

10.1080/00268979709482752 ◽

1997 ◽

Vol 91 (4) ◽

pp. 625-634 ◽

Author(s):

GERARDO OROZCO ◽

OREST PIZIO ◽

STEFAN SOKOLOWSKI ◽

ANDRIJ TROKHYMCHUK

Keyword(s):

Porous Media ◽

Hard Sphere ◽

Associating Fluids ◽

Disordered Porous Media

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Efficient simulation of chemical potentials and phase equilibria in associating fluids: monomer/dimer insertion versus gradual particle insertion in primitive water models

Molecular Physics ◽

10.1080/00268970500404455 ◽

2006 ◽

Vol 104 (2) ◽

pp. 233-241 ◽

Author(s):

Horst L. Vörtler ◽

Matthias Kettler

Keyword(s):

Phase Equilibria ◽

Associating Fluids ◽

Efficient Simulation ◽

Chemical Potentials ◽

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Chemical, quasi-chemical and perturbation theories for associating fluids

AIChE Journal ◽

10.1002/aic.690371212 ◽

1991 ◽

Vol 37 (12) ◽

pp. 1875-1894 ◽

Author(s):

Ioannis G. Economou ◽

Marc D. Donohue

Keyword(s):

Associating Fluids

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A Monte Carlo method for simulating associating fluids

The Journal of Chemical Physics ◽

10.1063/1.467562 ◽

1994 ◽

Vol 101 (4) ◽

pp. 3147-3156 ◽

Author(s):

N. A. Busch ◽

M. S. Wertheim ◽

Y. C. Chiew ◽

M. L. Yarmush

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Associating Fluids

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Can the Boyle's and critical parameters be unambiguously correlated for polar and associating fluids, liquid metals, ionic liquids?

Fluid Phase Equilibria ◽

10.1016/j.fluid.2016.11.034 ◽

2017 ◽

Vol 434 ◽

pp. 200-210 ◽

Author(s):

Oleg V. Rogankov ◽

Vitaly B. Rogankov

Keyword(s):

Ionic Liquids ◽

Liquid Metals ◽

Critical Parameters ◽

Associating Fluids

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Theory and simulation for associating fluids with four bonding sites

Molecular Physics ◽

10.1080/00268979300101221 ◽

1993 ◽

Vol 79 (2) ◽

pp. 291-311 ◽

Author(s):

D. Ghonasgi ◽

Walter G. Chapman

Keyword(s):

Associating Fluids

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Modeling the Monte Carlo simulation of associating fluids

The Journal of Chemical Physics ◽

10.1063/1.478512 ◽

1999 ◽

Vol 110 (12) ◽

pp. 5493-5502 ◽

Author(s):

Donald P. Visco ◽

David A. Kofke

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Associating Fluids

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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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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 ◽

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

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