From the vapor-liquid equilibrium to the supercritical condition. Molecular dynamics modeling of 1,3-butadiene

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.113702 ◽

2020 ◽

Vol 315 ◽

pp. 113702

Author(s):

Zsófia Borbála Rózsa ◽

Babak Minofar ◽

David Řeha ◽

Béla Viskolcz ◽

Milán Szőri

Keyword(s):

Molecular Dynamics ◽

Supercritical Condition ◽

Dynamics Modeling ◽

Liquid Equilibrium ◽

Vapor Liquid Equilibrium ◽

Molecular Dynamics Modeling ◽

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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 ◽

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 ◽

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Vapor–liquid equilibrium, fluid state, and zero-pressure solid properties of chlorine from anisotropic interaction potential by molecular dynamics

Fluid Phase Equilibria ◽

10.1016/s0378-3812(99)00188-0 ◽

1999 ◽

Vol 161 (2) ◽

pp. 241-256 ◽

Author(s):

Martin Lı́sal ◽

Karel Aim

Keyword(s):

Molecular Dynamics ◽

Interaction Potential ◽

Liquid Equilibrium ◽

Vapor Liquid Equilibrium ◽

Fluid State ◽

Anisotropic Interaction ◽

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Vapor−Liquid Equilibrium of Ethanol by Molecular Dynamics Simulation and Voronoi Tessellation

The Journal of Physical Chemistry B ◽

10.1021/jp075414u ◽

2007 ◽

Vol 111 (46) ◽

pp. 13278-13286 ◽

Author(s):

Jared T. Fern ◽

David J. Keffer ◽

William V. Steele

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Voronoi Tessellation ◽

Dynamics Simulation ◽

Liquid Equilibrium ◽

Vapor Liquid Equilibrium ◽

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Molecular Dynamics Study of Vapor-Liquid Equilibrium State of an Argon Nanodroplet and Its Vapor

Journal of Fluid Science and Technology ◽

10.1299/jfst.5.180 ◽

2010 ◽

Vol 5 (2) ◽

pp. 180-191 ◽

Author(s):

Hisao YAGUCHI ◽

Takeru YANO ◽

Shigeo FUJIKAWA

Keyword(s):

Molecular Dynamics ◽

Equilibrium State ◽

Liquid Equilibrium ◽

Vapor Liquid Equilibrium ◽

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Isomolar-semigrand ensemble molecular dynamics: Application to vapor-liquid equilibrium of the mixture methane/ethane

The Journal of Chemical Physics ◽

10.1063/1.2363972 ◽

2006 ◽

Vol 125 (20) ◽

pp. 204712 ◽

Author(s):

Timothy I. Morrow ◽

Edward J. Maginn

Keyword(s):

Molecular Dynamics ◽

Liquid Equilibrium ◽

Vapor Liquid Equilibrium ◽

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Molecular dynamics simulation on evaporation molecules in a vapor-liquid equilibrium state

10.1063/1.4902621 ◽

2014 ◽

Author(s):

Kazumichi Kobayashi ◽

Kazumasa Hori ◽

Hisao Yaguchi ◽

Masao Watanabe

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Equilibrium State ◽

Dynamics Simulation ◽

Liquid Equilibrium ◽

Vapor Liquid Equilibrium ◽

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Vapor–Liquid Equilibrium Simulations of Hydrocarbons Using Molecular Dynamics with Long-Range Lennard-Jones Interactions

Energy & Fuels ◽

10.1021/acs.energyfuels.8b03700 ◽

2019 ◽

Vol 33 (2) ◽

pp. 848-858 ◽

Author(s):

Brian H. Morrow ◽

Judith A. Harrison

Keyword(s):

Molecular Dynamics ◽

Liquid Equilibrium ◽

Vapor Liquid Equilibrium ◽

Lennard Jones ◽

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Molecular Dynamics Study of Vapor-Liquid Equilibrium State of an Argon Nanodroplet and Its Vapor(Fluids Engineering)

TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series B ◽

10.1299/kikaib.75.752_658 ◽

2009 ◽

Vol 75 (752) ◽

pp. 658-667

Author(s):

Hisao YAGUCHI ◽

Takeru YANO ◽

Shigeo FUJIKAWA

Keyword(s):

Molecular Dynamics ◽

Equilibrium State ◽

Liquid Equilibrium ◽

Vapor Liquid Equilibrium ◽

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Molecular Dynamics Modeling of PEEK, Cyanate Esters, and Carbon Nanotubes for Aerospace Applications

10.37099/mtu.dc.etdr/969 ◽

2019 ◽

Author(s):

Will Pisani

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Dynamics Modeling ◽

Cyanate Esters ◽

Aerospace Applications ◽

Molecular Dynamics Modeling

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COLLABORATIVE RESEARCH AND DEVELOPMENT (CR&D) Delivery Order 0055: Molecular Dynamics Modeling Support

10.21236/ada526252 ◽

2007 ◽

Author(s):

Timothy D. Brietzman

Keyword(s):

Molecular Dynamics ◽

Research And Development ◽

Collaborative Research ◽

Dynamics Modeling ◽

Molecular Dynamics Modeling

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