Transferability of Sigma Enlarging Bridge Function for Lennard-Jones Diatomic Solute Using Monatomic Solvent Correlation Obtained from Molecular Dynamics Simulation

Dynamics Simulation ◽

Bridge Function ◽

An assessment of the sigma enlarging bridge function for a Lennard-Jones solution using a solvent-solvent correlation function obtained from molecular dynamics simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2019.111167 ◽

2019 ◽

Vol 290 ◽

pp. 111167 ◽

Cited By ~ 1

Author(s):

Tatsuhiko Miyata ◽

Yu Ogasawara ◽

Takahiro Fujii ◽

Daigo Yano ◽

Yuki Ebato

Keyword(s):

Molecular Dynamics ◽

Correlation Function ◽

Dynamics Simulation ◽

Bridge Function ◽

Lennard Jones ◽

Solvent Solvent

Interfacial properties of binary mixtures of Lennard-Jones chains in planar interfaces by molecular dynamics simulation

The Journal of Chemical Physics ◽

10.1063/5.0042340 ◽

2021 ◽

Vol 154 (8) ◽

pp. 084704

Author(s):

Eder L. Granados-Bazán ◽

Sergio E. Quiñones-Cisneros ◽

Ulrich K. Deiters

Keyword(s):

Molecular Dynamics ◽

Binary Mixtures ◽

Interfacial Properties ◽

Dynamics Simulation ◽

Structures and autocorrelation functions of liquid Al and Mg modelled via Lennard-Jones potential from molecular dynamics simulation

Pramana ◽

10.1007/bf02704880 ◽

2005 ◽

Vol 64 (2) ◽

pp. 269-279 ◽

Cited By ~ 5

Author(s):

G. A. Adebayo ◽

O. Akinlade ◽

L. A. Hussain

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

Lennard Jones Potential ◽

Autocorrelation Functions ◽

Jones Potential ◽

Molecular dynamics simulation data of self-diffusion coefficient for Lennard–Jones chain fluids

Fluid Phase Equilibria ◽

10.1016/j.fluid.2004.04.007 ◽

2004 ◽

Vol 221 (1-2) ◽

pp. 25-33 ◽

Cited By ~ 17

Author(s):

R.A. Reis ◽

F.C. Silva ◽

R. Nobrega ◽

J.Vladimir Oliveira ◽

F.W. Tavares

Keyword(s):

Molecular Dynamics ◽

Diffusion Coefficient ◽

Dynamics Simulation ◽

Simulation Data ◽

Self Diffusion ◽

Lennard Jones ◽

Chain Fluids ◽

Self Diffusion Coefficient

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 ◽

Cited By ~ 187

Author(s):

M. J. P. Nijmeijer ◽

A. F. Bakker ◽

C. Bruin ◽

J. H. Sikkenk

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

Vapor Interface ◽

Lennard Jones ◽

Liquid Vapor

Molecular Dynamics Simulation of Heavy Metal Ions in Aqueous Solution Using Lennard-Jones 12-6 Potential

Chemical Engineering Communications ◽

10.1080/00986445.2014.970251 ◽

2014 ◽

Vol 202 (12) ◽

pp. 1685-1692 ◽

Cited By ~ 5

Author(s):

A. Ansari Dezfoli ◽

M. A. Mehrabian ◽

H. Hashemipour

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Heavy Metal ◽

Metal Ions ◽

Heavy Metal Ions ◽

Dynamics Simulation ◽

Molecular dynamics simulation of nonodroplets with the modified Lennard-Jones potential function

Heat and Mass Transfer ◽

10.1007/s00231-010-0747-7 ◽

2010 ◽

Vol 47 (5) ◽

pp. 579-588 ◽

Cited By ~ 61

Author(s):

D. Toghraie Semiromi ◽

A. R. Azimian

Keyword(s):

Molecular Dynamics ◽

Potential Function ◽

Dynamics Simulation ◽

Lennard Jones Potential ◽

Jones Potential ◽

Temperature and density dependence of the self-diffusion coefficient and Mori coefficients of Lennard-Jones fluids by molecular dynamics simulation

Physical Review E ◽

10.1103/physreve.55.4217 ◽

1997 ◽

Vol 55 (4) ◽

pp. 4217-4224 ◽

Cited By ~ 12

Author(s):

María J. Nuevo ◽

Juan J. Morales ◽

David M. Heyes

Keyword(s):

Molecular Dynamics ◽

Diffusion Coefficient ◽

Density Dependence ◽

The Self ◽

Dynamics Simulation ◽

Self Diffusion ◽

Lennard Jones ◽

Self Diffusion Coefficient

Solvation pressure in a Lennard-Jones fluid by molecular dynamics simulation

Physical Review B ◽

10.1103/physrevb.78.054113 ◽

2008 ◽

Vol 78 (5) ◽

Cited By ~ 1

Author(s):

John P. Everett ◽

David A. Faux

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

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 ◽

Cited By ~ 221

Author(s):

Matthias Mecke ◽

Jochen Winkelmann ◽

Johann Fischer

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

Vapor Interface ◽

Lennard Jones ◽

Liquid Vapor