Computer simulations of liquid/vapor interface in Lennard-Jones fluids: Some questions and answers

The Journal of Chemical Physics ◽

10.1063/1.480192 ◽

1999 ◽

Vol 111 (18) ◽

pp. 8510-8523 ◽

Author(s):

Andrij Trokhymchuk ◽

José Alejandre

Keyword(s):

Computer Simulations ◽

Vapor Interface ◽

Lennard Jones ◽

Questions And Answers ◽

Download Full-text

A molecular dynamics simulation of the Lennard‐Jones liquid–vapor interface

The Journal of Chemical Physics ◽

10.1063/1.454902 ◽

1988 ◽

Vol 89 (6) ◽

pp. 3789-3792 ◽

Author(s):

M. J. P. Nijmeijer ◽

A. F. Bakker ◽

C. Bruin ◽

J. H. Sikkenk

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Vapor Interface ◽

Lennard Jones ◽

Download Full-text

Monte Carlo Simulations of the Liquid−Vapor Interface of Lennard−Jones Diatomics for the Direct Determination of the Interfacial Tension Using the Test-Area Method†

Journal of Chemical & Engineering Data ◽

10.1021/je100450s ◽

2010 ◽

Vol 55 (10) ◽

pp. 4306-4314 ◽

Author(s):

José G. Sampayo ◽

Felipe J. Blas ◽

Enrique de Miguel ◽

Erich A. Müller ◽

George Jackson

Keyword(s):

Monte Carlo ◽

Interfacial Tension ◽

Monte Carlo Simulations ◽

Direct Determination ◽

Test Area ◽

Vapor Interface ◽

Area Method ◽

Lennard Jones ◽

Download Full-text

Monte Carlo Simulations of Lennard-Jones Nonionic Surfactant Adsorption at the Liquid/Vapor Interface

Langmuir ◽

10.1021/la062419u ◽

2007 ◽

Vol 23 (4) ◽

pp. 1835-1844 ◽

Author(s):

A. J. Howes ◽

C. J. Radke

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Nonionic Surfactant ◽

Surfactant Adsorption ◽

Vapor Interface ◽

Lennard Jones ◽

Download Full-text

Molecular dynamics simulation of the liquid–vapor interface: The Lennard-Jones fluid

The Journal of Chemical Physics ◽

10.1063/1.475217 ◽

1997 ◽

Vol 107 (21) ◽

pp. 9264-9270 ◽

Author(s):

Matthias Mecke ◽

Jochen Winkelmann ◽

Johann Fischer

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Vapor Interface ◽

Lennard Jones ◽

Download Full-text

A new method for determining the interfacial molecules and characterizing the surface roughness in computer simulations. Application to the liquid–vapor interface of water

Journal of Computational Chemistry ◽

10.1002/jcc.20852 ◽

2008 ◽

Vol 29 (6) ◽

pp. 945-956 ◽

Author(s):

Lívia B. Pártay ◽

György Hantal ◽

Pál Jedlovszky ◽

Árpád Vincze ◽

George Horvai

Keyword(s):

Surface Roughness ◽

Computer Simulations ◽

Vapor Interface ◽

Download Full-text

Density functional theory of inhomogeneous liquids. I. The liquid-vapor interface in Lennard-Jones fluids

The Journal of Chemical Physics ◽

10.1063/1.2753500 ◽

2007 ◽

Vol 127 (5) ◽

pp. 054701 ◽

Author(s):

James F. Lutsko

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Vapor Interface ◽

Lennard Jones ◽

Inhomogeneous Liquids ◽

Download Full-text

Molecular dynamics simulation of the liquid–vapor interface: Binary mixtures of Lennard-Jones fluids

The Journal of Chemical Physics ◽

10.1063/1.478160 ◽

1999 ◽

Vol 110 (2) ◽

pp. 1188-1194 ◽

Author(s):

Matthias Mecke ◽

Jochen Winkelmann ◽

Johann Fischer

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Binary Mixtures ◽

Dynamics Simulation ◽

Vapor Interface ◽

Lennard Jones ◽

Download Full-text

A critical study of simulations of the lennard-jones liquid-vapor interface

Fluid Phase Equilibria ◽

10.1016/0378-3812(93)87120-p ◽

1993 ◽

Vol 88 ◽

pp. 303 ◽

Keyword(s):

Critical Study ◽

Vapor Interface ◽

Lennard Jones ◽

Download Full-text

Molecular dynamics simulation of the liquid–vapor interface: I. The orientational profile of 2-center Lennard–Jones and of Stockmayer fluid molecules

Journal of Molecular Liquids ◽

10.1016/j.molliq.2003.12.020 ◽

2004 ◽

Vol 115 (1) ◽

pp. 29-39 ◽

Author(s):

S Enders ◽

H Kahl ◽

M Mecke ◽

J Winkelmann

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Vapor Interface ◽

Lennard Jones ◽

Download Full-text

A critical study of simulations of the Lennard-Jones liquid-vapor interface

Fluid Phase Equilibria ◽

10.1016/0378-3812(92)87016-g ◽

1992 ◽

Vol 75 ◽

pp. 185-196 ◽

Author(s):

C.D. Holcomb ◽

P. Clancy ◽

S.M. Thompson ◽

J.A. Zollweg

Keyword(s):

Critical Study ◽

Vapor Interface ◽

Lennard Jones ◽

Download Full-text