Diffusion in Lennard‐Jones fluids using dual control volume grand canonical molecular dynamics simulation (DCV‐GCMD)

Grant S. Heffelfinger; Frank van Swol

doi:10.1063/1.466849

Diffusion in Lennard‐Jones fluids using dual control volume grand canonical molecular dynamics simulation (DCV‐GCMD)

The Journal of Chemical Physics ◽

10.1063/1.466849 ◽

1994 ◽

Vol 100 (10) ◽

pp. 7548-7552 ◽

Cited By ~ 224

Author(s):

Grant S. Heffelfinger ◽

Frank van Swol

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Control Volume ◽

Dynamics Simulation ◽

Dual Control ◽

Lennard Jones ◽

Grand Canonical

Download Full-text

Massively parallel dual control volume grand canonical molecular dynamics with LADERA I. Gradient driven diffusion in Lennard-Jones fluids

Molecular Physics ◽

10.1080/002689798167827 ◽

1998 ◽

Vol 94 (4) ◽

pp. 659-671 ◽

Cited By ~ 32

Author(s):

GRANT S. HEFFELFINGER ◽

DAVID M. FORD

Keyword(s):

Molecular Dynamics ◽

Control Volume ◽

Massively Parallel ◽

Dual Control ◽

Lennard Jones ◽

Grand Canonical

Download Full-text

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 ◽

Molecular Dynamics Simulation ◽

Binary Mixtures ◽

Interfacial Properties ◽

Dynamics Simulation ◽

Lennard Jones

Download Full-text

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 ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Lennard Jones Potential ◽

Autocorrelation Functions ◽

Jones Potential ◽

Lennard Jones

Download Full-text

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 ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Simulation Data ◽

Self Diffusion ◽

Lennard Jones ◽

Chain Fluids ◽

Self Diffusion Coefficient

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 ◽

Cited By ~ 187

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 ◽

Liquid Vapor

Download Full-text

Water permeability of poly(ethylene terephthalate): A grand canonical ensemble molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.3274805 ◽

2009 ◽

Vol 131 (23) ◽

pp. 234904 ◽

Cited By ~ 18

Author(s):

Hossein Eslami ◽

Florian Müller-Plathe

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Water Permeability ◽

Ethylene Terephthalate ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Dynamics Simulation ◽

Poly Ethylene Terephthalate ◽

Poly Ethylene ◽

Grand Canonical

Download Full-text

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 ◽

Molecular Dynamics Simulation ◽

Metal Ions ◽

Heavy Metal Ions ◽

Dynamics Simulation ◽

Lennard Jones

Download Full-text

Spermine: an “invisible” component in the crystals of B-DNA. A grand canonical Monte Carlo and molecular dynamics simulation study

Journal of Molecular Biology ◽

10.1006/jmbi.2001.4642 ◽

2001 ◽

Vol 308 (5) ◽

pp. 907-917 ◽

Cited By ~ 60

Author(s):

Nikolay Korolev ◽

Alexander P Lyubartsev ◽

Lars Nordenskiöld ◽

Aatto Laaksonen

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Grand Canonical Monte Carlo ◽

Grand Canonical

Download Full-text

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 ◽

Molecular Dynamics Simulation ◽

Potential Function ◽

Dynamics Simulation ◽

Lennard Jones Potential ◽

Jones Potential ◽

Lennard Jones

Download Full-text

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 ◽

Molecular Dynamics Simulation ◽

Density Dependence ◽

The Self ◽

Dynamics Simulation ◽

Self Diffusion ◽

Lennard Jones ◽

Self Diffusion Coefficient

Download Full-text