Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. II. Confined fluids and vapor-liquid interfaces

Ahmadreza F. Ghobadi; J. Richard Elliott

doi:10.1063/1.4886398

Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. II. Confined fluids and vapor-liquid interfaces

The Journal of Chemical Physics ◽

10.1063/1.4886398 ◽

2014 ◽

Vol 141 (2) ◽

pp. 024708 ◽

Cited By ~ 9

Author(s):

Ahmadreza F. Ghobadi ◽

J. Richard Elliott

Keyword(s):

Molecular Dynamics ◽

Perturbation Theory ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Liquid Interfaces ◽

Confined Fluids ◽

Vapor Liquid

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Intermolecular Forces and Molecular Dynamics Simulation of 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) Using Symmetry Adapted Perturbation Theory

The Journal of Physical Chemistry A ◽

10.1021/jp4005289 ◽

2013 ◽

Vol 117 (16) ◽

pp. 3507-3520 ◽

Cited By ~ 19

Author(s):

DeCarlos E. Taylor

Keyword(s):

Molecular Dynamics ◽

Perturbation Theory ◽

Molecular Dynamics Simulation ◽

Intermolecular Forces ◽

Dynamics Simulation

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Mass transfer through vapour–liquid interfaces: a molecular dynamics simulation study

Molecular Physics ◽

10.1080/00268976.2020.1810798 ◽

2020 ◽

pp. e1810798 ◽

Cited By ~ 1

Author(s):

Simon Stephan ◽

Dominik Schaefer ◽

Kai Langenbach ◽

Hans Hasse

Keyword(s):

Molecular Dynamics ◽

Mass Transfer ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Liquid Interfaces

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Solute Kinetics at Liquid-Liquid Interfaces: A Molecular Dynamics Simulation

Physica Scripta ◽

10.1088/0031-8949/1991/t39/056 ◽

1991 ◽

Vol T39 ◽

pp. 356-361 ◽

Cited By ~ 1

Author(s):

M Meyer ◽

M Mareschal ◽

M Hayoun

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Liquid Interfaces

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J053022 Molecular Dynamics Simulation for Vapor/Liquid Coexistence of Water Molecules in Nanopore

The Proceedings of Mechanical Engineering Congress Japan ◽

10.1299/jsmemecj.2013._j053022-1 ◽

2013 ◽

Vol 2013 (0) ◽

pp. _J053022-1-_J053022-4

Author(s):

Toshiki Mima ◽

Ikuya Kinefuchi ◽

Yuta Yoshimoto ◽

Akinori Fukushima ◽

Takashi Tokumasu ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Water Molecules ◽

Vapor Liquid

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Calcium chloride adsorption at liquid-liquid interfaces: A molecular dynamics simulation study

Colloids and Surfaces A Physicochemical and Engineering Aspects ◽

10.1016/j.colsurfa.2017.05.019 ◽

2017 ◽

Vol 527 ◽

pp. 70-80 ◽

Cited By ~ 2

Author(s):

N.P. Khiabani ◽

A. Bahramian ◽

P. Chen ◽

P. Pourafshary ◽

W.A. Goddard ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Calcium Chloride ◽

Simulation Study ◽

Dynamics Simulation ◽

Liquid Interfaces

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Isobaric vapor-liquid equilibrium of 2-propanone+2-butanol system at 101.325 kPa: Experimental and molecular dynamics simulation

Korean Journal of Chemical Engineering ◽

10.1007/s11814-017-0089-y ◽

2017 ◽

Vol 34 (7) ◽

pp. 2011-2018 ◽

Cited By ~ 1

Author(s):

Hardjono ◽

Asalil Mustain ◽

Profiyanti Hermien Suharti ◽

Dhoni Hartanto ◽

Ianatul Khoiroh

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Liquid Equilibrium ◽

Vapor Liquid Equilibrium ◽

Vapor Liquid

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Static and Dynamic Properties of Curved Vapour-Liquid Interfaces by Massively Parallel Molecular Dynamics Simulation

Competence in High Performance Computing 2010 ◽

10.1007/978-3-642-24025-6_7 ◽

2011 ◽

pp. 73-84

Author(s):

M. T. Horsch ◽

S. K. Miroshnichenko ◽

J. Vrabec ◽

C. W. Glass ◽

C. Niethammer ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamic Properties ◽

Dynamics Simulation ◽

Massively Parallel ◽

Liquid Interfaces ◽

Parallel Molecular Dynamics

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Surface charge induced modifications of the structure and dynamics of mixed dipolar liquids at solid–liquid interfaces: A molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.1318773 ◽

2000 ◽

Vol 113 (19) ◽

pp. 8817-8826 ◽

Cited By ~ 3

Author(s):

Sanjib Senapati ◽

Amalendu Chandra

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Surface Charge ◽

Simulation Study ◽

Dynamics Simulation ◽

Liquid Interfaces ◽

Structure And Dynamics ◽

Solid Liquid

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State conditions transferability of vapor–liquid equilibria via fluctuation solution theory with correlation function integrals from molecular dynamics simulation

Fluid Phase Equilibria ◽

10.1016/j.fluid.2007.06.026 ◽

2007 ◽

Vol 260 (2) ◽

pp. 169-176 ◽

Cited By ~ 16

Author(s):

Steen Christensen ◽

Günther H. Peters ◽

Flemming Y. Hansen ◽

John P. O’Connell ◽

Jens Abildskov

Keyword(s):

Molecular Dynamics ◽

Correlation Function ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Solution Theory ◽

Fluctuation Solution Theory ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

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Osmotic molecular dynamics simulation of vapor–liquid equilibria for propylene + dimethyl ether and nitroethane + propylene glycol monomethyl ether mixtures

Fluid Phase Equilibria ◽

10.1016/s0378-3812(03)00356-x ◽

2004 ◽

Vol 217 (1) ◽

pp. 89-95 ◽

Cited By ~ 8

Author(s):

Tim R Pollock ◽

Paul Crozier ◽

Richard L Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Propylene Glycol ◽

Dimethyl Ether ◽

Monomethyl Ether ◽

Dynamics Simulation ◽

Glycol Monomethyl Ether ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

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