Molecular dynamics simulation of CO2hydrates: Prediction of three phase coexistence line

The Journal of Chemical Physics ◽

10.1063/1.4916119 ◽

2015 ◽

Vol 142 (12) ◽

pp. 124505 ◽

Author(s):

J. M. Míguez ◽

M. M. Conde ◽

J.-P. Torré ◽

F. J. Blas ◽

M. M. Piñeiro ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Phase Coexistence ◽

Dynamics Simulation ◽

Three Phase ◽

Coexistence Line

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Different Mechanism Effect between Gas-Solid and Liquid-Solid Interface on the Three-Phase Coexistence Hydrate System Dissociation in Seawater: A Molecular Dynamics Simulation Study

Energies ◽

10.3390/en11010006 ◽

2017 ◽

Vol 11 (1) ◽

pp. 6 ◽

Author(s):

Zhixue Sun ◽

Haoxuan Wang ◽

Jun Yao ◽

Chengwei Yang ◽

Jianlong Kou ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Phase Coexistence ◽

Dynamics Simulation ◽

Solid Interface ◽

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Effect of cage-specific occupancy on the dissociation rate of a three-phase coexistence methane hydrate system: A molecular dynamics simulation study

Journal of Natural Gas Science and Engineering ◽

10.1016/j.jngse.2018.05.004 ◽

2018 ◽

Vol 55 ◽

pp. 235-242 ◽

Author(s):

Zhixue Sun ◽

Haoxuan Wang ◽

Jun Yao ◽

Zhilei Sun ◽

Kelvin Bongole ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Methane Hydrate ◽

Dissociation Rate ◽

Phase Coexistence ◽

Dynamics Simulation ◽

System A ◽

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Growth Mechanism of a Gas Clathrate Hydrate from a Dilute Aqueous Gas Solution: A Molecular Dynamics Simulation of a Three-Phase System

The Journal of Physical Chemistry B ◽

10.1021/jp062182a ◽

2006 ◽

Vol 110 (33) ◽

pp. 16526-16534 ◽

Author(s):

Hiroki Nada

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Growth Mechanism ◽

Clathrate Hydrate ◽

Dynamics Simulation ◽

Phase System ◽

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Phase coexistence for charged soft dumbbell and ionic soft sphere systems via molecular dynamics simulation

Physical Review E ◽

10.1103/physreve.87.012311 ◽

2013 ◽

Vol 87 (1) ◽

Author(s):

Heiko Braun ◽

Reinhard Hentschke

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Phase Coexistence ◽

Dynamics Simulation ◽

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Analysis of three-phase equilibrium points for methane hydrate/water/methane systems by NVT molecular dynamics simulation

The Proceedings of the Thermal Engineering Conference ◽

10.1299/jsmeted.2016.i222 ◽

2016 ◽

Vol 2016 (0) ◽

pp. I222

Author(s):

Daisuke Yuhara ◽

Paul E. Brumby ◽

David T. Wu ◽

Amadeu K. Sum ◽

Kenji Yasuoka

Keyword(s):

Molecular Dynamics ◽

Phase Equilibrium ◽

Molecular Dynamics Simulation ◽

Methane Hydrate ◽

Equilibrium Points ◽

Dynamics Simulation ◽

Hydrate Water ◽

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Molecular dynamics simulation and thermo-mechanical characterization for optimization of three-phase epoxy/TiO2/SiO2 nano-composites

Polymer Testing ◽

10.1016/j.polymertesting.2020.106890 ◽

2021 ◽

Vol 93 ◽

pp. 106890 ◽

Author(s):

Akbar Takari ◽

Ahmad Reza Ghasemi ◽

Masood Hamadanian ◽

Marzieh Sarafrazi ◽

Ahmad Najafidoust

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Mechanical Characterization ◽

Dynamics Simulation ◽

Nano Composites ◽

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Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

Molecular Physics ◽

10.1080/00268979809482256 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rotational Dynamics ◽

Dynamics Simulation

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Molecular dynamics simulation of the dynamics of supercooled silica

Philosophical Magazine B ◽

10.1080/014186398259374 ◽

1998 ◽

Vol 77 (2) ◽

pp. 297-303 ◽

Author(s):

J. Horbach, W. Kob, K. Binder

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Journal de Chimie Physique ◽

10.1051/jcp/1995921809 ◽

1995 ◽

Vol 92 ◽

pp. 1809-1812

Author(s):

V Larue ◽

J Gharby-Benarous ◽

D Todeschi ◽

F Acher ◽

R Azerad ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring

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Nonequilibrium effects in electron-ion strongly coupled plasmas. Molecular dynamics simulation

Journal de Physique IV (Proceedings) ◽

10.1051/jp4:2000545 ◽

2000 ◽

Vol 10 (PR5) ◽

pp. Pr5-255-Pr5-258 ◽

Author(s):

G. E. Norman ◽

A. A. Valuev ◽

I. A. Valuev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Strongly Coupled ◽

Strongly Coupled Plasmas ◽

Nonequilibrium Effects ◽

Coupled Plasmas

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