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 ◽

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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 ◽

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Molecular dynamics simulation of the interfacial properties of methane-water and methane-brine systems

Molecular Simulation ◽

10.1080/08927022.2021.1929969 ◽

2021 ◽

pp. 1-14

Author(s):

Qiuyi Guo ◽

Wenfeng Hu ◽

Yue Zhang ◽

Kun Zhang ◽

Bo Dong ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Interfacial Properties ◽

Dynamics Simulation

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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 ◽

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 ◽

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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 ◽

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

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Molecular Dynamics Simulation of Wetting and Interfacial Properties of Multicationic Ionic Liquid Nanodroplets on Boron Nitride Monolayers: A Comparative Approach

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b11987 ◽

2019 ◽

Vol 123 (22) ◽

pp. 13551-13560 ◽

Author(s):

Farhad Ghalami ◽

Tahereh Sedghamiz ◽

Elaheh Sedghamiz ◽

Fatemeh Khashei ◽

Ehsan Zahedi

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Boron Nitride ◽

Interfacial Properties ◽

Dynamics Simulation ◽

Comparative Approach

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Structural and interfacial properties of the CO2-in-water foams prepared with sodium dodecyl sulfate (SDS): A molecular dynamics simulation study

Colloids and Surfaces A Physicochemical and Engineering Aspects ◽

10.1016/j.colsurfa.2019.123615 ◽

2019 ◽

Vol 578 ◽

pp. 123615 ◽

Author(s):

José G. Parra ◽

Héctor Domínguez ◽

Yosslen Aray ◽

Peter Iza ◽

Ximena Zarate ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Sodium Dodecyl Sulfate ◽

Simulation Study ◽

Sodium Dodecyl ◽

Interfacial Properties ◽

Dynamics Simulation ◽

Dodecyl Sulfate

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Ionic conductivity of molten alkali-metal carbonates A2CO3 (A = Li, Na, K, Rb, and Cs) and binary mixtures (Li1−xCsx)2CO3 and (Li1−xKx)2CO3: A molecular dynamics simulation

The Journal of Chemical Physics ◽

10.1063/1.5109912 ◽

2019 ◽

Vol 151 (7) ◽

pp. 074503

Author(s):

Tetsu Kiyobayashi ◽

Toshikatsu Kojima ◽

Hiroyuki Ozaki ◽

Kenji Kiyohara

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ionic Conductivity ◽

Alkali Metal ◽

Binary Mixtures ◽

Dynamics Simulation ◽

Alkali Metal Carbonates ◽

Metal Carbonates

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Interfacial properties of carboxylic acid functionalized CNT/polyethylene composites: A molecular dynamics simulation study

Applied Surface Science ◽

10.1016/j.apsusc.2015.06.039 ◽

2015 ◽

Vol 351 ◽

pp. 1043-1052 ◽

Author(s):

Zeshuai Yuan ◽

Zixing Lu ◽

Mingyang Chen ◽

Zhenyu Yang ◽

Fan Xie

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Carboxylic Acid ◽

Simulation Study ◽

Interfacial Properties ◽

Dynamics Simulation ◽

Polyethylene Composites

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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 ◽

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Evaluation of composite interfacial properties based on carbon fiber surface chemistry and topography: Nanometer-scale wetting analysis using molecular dynamics simulation

Composites Science and Technology ◽

10.1016/j.compscitech.2018.12.028 ◽

2019 ◽

Vol 171 ◽

pp. 252-260 ◽

Author(s):

Peng Xu ◽

Yunhua Yu ◽

Zhenjiang Guo ◽

Xianren Zhang ◽

Gang Li ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Carbon Fiber ◽

Surface Chemistry ◽

Fiber Surface ◽

Interfacial Properties ◽

Dynamics Simulation ◽

Nanometer Scale ◽

Carbon Fiber Surface

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