Low-Temperature Vapor−Liquid Equilibria from Parallelized Molecular Dynamics Simulations. Application to 1- and 2-Methylnaphthalene

Martin Lísal; Ivo Nezbeda; Philippe Ungerer; Jean-Marie Teuler; Bernard Rousseau

doi:10.1021/jp060326f

Low-Temperature Vapor−Liquid Equilibria from Parallelized Molecular Dynamics Simulations. Application to 1- and 2-Methylnaphthalene

The Journal of Physical Chemistry B ◽

10.1021/jp060326f ◽

2006 ◽

Vol 110 (24) ◽

pp. 12083-12088

Author(s):

Martin Lísal ◽

Ivo Nezbeda ◽

Philippe Ungerer ◽

Jean-Marie Teuler ◽

Bernard Rousseau

Keyword(s):

Molecular Dynamics ◽

Low Temperature ◽

Molecular Dynamics Simulations ◽

Vapor Liquid Equilibria ◽

Dynamics Simulations ◽

Vapor Liquid

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Molecular Dynamics Simulations of the Vapor–Liquid Equilibria in CO2/n-Pentane, Propane/n-Pentane, and Propane/n-Hexane Binary Mixtures

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.1c03673 ◽

2021 ◽

Author(s):

Reihaneh Toutouni ◽

Jan Kubelka ◽

Mohammad Piri

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Binary Mixtures ◽

Vapor Liquid Equilibria ◽

Dynamics Simulations ◽

Vapor Liquid

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Vapor–liquid equilibria in the binary mixtures of N-butylpyridinium hexafluorophophate and bis(trifluoromethanesulfonyl)imide ionic liquids with acetone: Molecular dynamics simulations

Fluid Phase Equilibria ◽

10.1016/j.fluid.2016.03.015 ◽

2016 ◽

Vol 419 ◽

pp. 75-83 ◽

Cited By ~ 3

Author(s):

Vitaly V. Chaban

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulations ◽

Binary Mixtures ◽

Vapor Liquid Equilibria ◽

Dynamics Simulations ◽

Vapor Liquid

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An Optimized Force Field for Vapor–Liquid Equilibria and Molecular Dynamics Simulations of Eco-Friendly Dielectric Fluid Perfluoronitriles

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.1c01786 ◽

2021 ◽

Author(s):

Hua Hou ◽

Baoshan Wang

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Molecular Dynamics Simulations ◽

Dielectric Fluid ◽

Vapor Liquid Equilibria ◽

Dynamics Simulations ◽

Vapor Liquid

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Correction to “Molecular Dynamics Simulations of the Vapor–Liquid Equilibria in CO2/n-Pentane, Propane/n-Pentane, and Propane/n-Hexane Binary Mixtures”

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.1c07646 ◽

2021 ◽

Author(s):

Reihaneh Toutouni ◽

Jan Kubelka ◽

Mohammad Piri

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Binary Mixtures ◽

Vapor Liquid Equilibria ◽

Dynamics Simulations ◽

Vapor Liquid

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Molecular dynamics simulations of the O2− ion mobility in dense Ne gas at low temperature: Influence of the repulsive part of the ion-neutral interaction potential

IEEE Transactions on Dielectrics and Electrical Insulation ◽

10.1109/tdei.2018.007080 ◽

2018 ◽

Vol 25 (5) ◽

pp. 1992-1998 ◽

Cited By ~ 1

Author(s):

A. F. Borghesani ◽

F. Aitken

Keyword(s):

Molecular Dynamics ◽

Low Temperature ◽

Molecular Dynamics Simulations ◽

Interaction Potential ◽

Ion Mobility ◽

Temperature Influence ◽

Dynamics Simulations ◽

Repulsive Part

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Quantum Molecular Dynamics Simulations of Low-Temperature High Energy Density Matter: Solid p-H2/Li and p-H2/B

The Journal of Physical Chemistry A ◽

10.1021/jp992098d ◽

1999 ◽

Vol 103 (47) ◽

pp. 9512-9520 ◽

Cited By ~ 12

Author(s):

Soonmin Jang ◽

Seogjoo Jang ◽

Gregory A. Voth

Keyword(s):

Molecular Dynamics ◽

Energy Density ◽

Low Temperature ◽

Molecular Dynamics Simulations ◽

High Energy ◽

High Energy Density ◽

Quantum Molecular Dynamics ◽

Dynamics Simulations ◽

Density Matter

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LEED observations and molecular dynamics simulations of the low-temperature phases of N2 physisordered on graphite

Vacuum ◽

10.1016/0042-207x(83)90628-0 ◽

1983 ◽

Vol 33 (10-12) ◽

pp. 857-858 ◽

Cited By ~ 1

Author(s):

Renee D Diehl ◽

SC Fain ◽

J Talbot ◽

DJ Tildesley ◽

WA Steele

Keyword(s):

Molecular Dynamics ◽

Low Temperature ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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Anomalous fluctuations in low-temperature molecular dynamics simulations

Physical Review E ◽

10.1103/physreve.54.964 ◽

1996 ◽

Vol 54 (1) ◽

pp. 964-967 ◽

Cited By ~ 11

Author(s):

Riccardo Simonazzi ◽

Alexander Tenenbaum

Keyword(s):

Molecular Dynamics ◽

Low Temperature ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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The importance of vibronic perturbations in ferrocytochrome c spectra: A reevaluation of spectral properties based on low-temperature optical absorption, resonance Raman, and molecular-dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.1961556 ◽

2005 ◽

Vol 123 (5) ◽

pp. 054508 ◽

Cited By ~ 16

Author(s):

Matteo Levantino ◽

Qing Huang ◽

Antonio Cupane ◽

Monique Laberge ◽

Andrew Hagarman ◽

...

Keyword(s):

Molecular Dynamics ◽

Low Temperature ◽

Optical Absorption ◽

Molecular Dynamics Simulations ◽

Spectral Properties ◽

Resonance Raman ◽

Ferrocytochrome C ◽

Absorption Resonance ◽

Dynamics Simulations

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Wide-angle X-ray scattering and molecular dynamics simulations of supercooled protein hydration water

Physical Chemistry Chemical Physics ◽

10.1039/d1cp02126e ◽

2021 ◽

Author(s):

Maddalena Bin ◽

Rafat Yousif ◽

Sharon Berkowicz ◽

Sudipta Das ◽

Daniel Schlesinger ◽

...

Keyword(s):

Molecular Dynamics ◽

Low Temperature ◽

Molecular Dynamics Simulations ◽

Protein Hydration ◽

Hydration Water ◽

Wide Angle ◽

X Ray ◽

X Ray Scattering ◽

Dynamics Simulations ◽

Ray Scattering

Understanding the mechanism responsible for the protein low-temperature crossover observed at T≈220K can help us improve current cryopreservation technologies. This crossover is associated with changes in the dynamics of the...

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