Transport Property Anomalies under High Pressure in Molten Na2O-SiO2 Binary System Studied by Molecular Dynamics Simulation

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb20040304 ◽

2004 ◽

Vol 20 (03) ◽

pp. 237-239

Author(s):

Shao Jun ◽

◽

Xu Hua ◽

Lu Wen-Cong ◽

Chen Nian-Yi

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Molecular Dynamics Simulation ◽

Binary System ◽

Transport Property ◽

Dynamics Simulation

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Molecular dynamics simulation of high-pressure CO2 pasteurization reveals the interfacial denaturation of proteins at CO2/water interface

Journal of CO2 Utilization ◽

10.1016/j.jcou.2019.10.004 ◽

2020 ◽

Vol 35 ◽

pp. 256-264 ◽

Author(s):

Hassan Monhemi ◽

Samaneh Dolatabadi

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Water Interface ◽

High Pressure Co2 ◽

Denaturation Of Proteins

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Equations of states for an ionic liquid under high pressure: A molecular dynamics simulation study

The Journal of Chemical Thermodynamics ◽

10.1016/j.jct.2014.03.028 ◽

2014 ◽

Vol 74 ◽

pp. 39-42 ◽

Author(s):

Mauro C.C. Ribeiro ◽

Agílio A.H. Pádua ◽

Margarida F.C. Gomes

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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Transport property prediction and inhomogeneity analysis of supercritical n-Dodecane by molecular dynamics simulation

Fuel ◽

10.1016/j.fuel.2019.01.181 ◽

2019 ◽

Vol 244 ◽

pp. 48-60 ◽

Author(s):

Cheng Chen ◽

Xi Jiang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Transport Property ◽

Dynamics Simulation ◽

Property Prediction

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First principles isothermal-isobaric centroid molecular dynamics simulation of high pressure ices

Chemical Physics Letters ◽

10.1016/j.cplett.2019.01.008 ◽

2019 ◽

Vol 717 ◽

pp. 141-146 ◽

Author(s):

Takashi Ikeda

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Molecular Dynamics Simulation ◽

First Principles ◽

Dynamics Simulation

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Necessity of Large-Scaled and Non-Empirical Molecular Dynamics Simulation of Silicate Liquids at High Pressure

The Review of High Pressure Science and Technology ◽

10.4131/jshpreview.27.198 ◽

2017 ◽

Vol 27 (3) ◽

pp. 198-204 ◽

Author(s):

Fumiya NORITAKE

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Silicate Liquids

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Predict the glass transition temperature and plasticization of β-cyclodextrin/water binary system by molecular dynamics simulation

Carbohydrate Research ◽

10.1016/j.carres.2014.10.026 ◽

2015 ◽

Vol 401 ◽

pp. 89-95 ◽

Author(s):

Guohui Zhou ◽

Tianhai Zhao ◽

Jie Wan ◽

Chengmei Liu ◽

Wei Liu ◽

...

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Transition Temperature ◽

Glass Transition Temperature ◽

Molecular Dynamics Simulation ◽

Binary System ◽

Dynamics Simulation

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The opposing effect of urea and high pressure on the conformation of the protein β-hairpin: A molecular dynamics simulation study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2017.12.054 ◽

2018 ◽

Vol 251 ◽

pp. 378-384 ◽

Author(s):

Gargi Borgohain ◽

Sandip Paul

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Opposing Effect

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A molecular dynamics simulation of the effect of high pressure on fast-ion conduction in a MgSiO3-perovskite analogue; KCaF3

Physics of The Earth and Planetary Interiors ◽

10.1016/0031-9201(94)02989-o ◽

1995 ◽

Vol 89 (1-2) ◽

pp. 137-144 ◽

Author(s):

G.W. Watson ◽

A. Wall ◽

S.C. Parker

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Ion Conduction ◽

Mgsio3 Perovskite ◽

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The Behavior of Ionic Liquids under High Pressure: A Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/jp3070568 ◽

2012 ◽

Vol 116 (35) ◽

pp. 10876-10884 ◽

Author(s):

Yuling Zhao ◽

Xiaomin Liu ◽

Xingmei Lu ◽

Suojiang Zhang ◽

Jianji Wang ◽

...

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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Mechanisms of Water Exchange between Lanthanide(III) Aqua Ions [Ln(H2O)n]3+ and bulk water: A Molecular Dynamics Simulation Approach Including High-Pressure Effects

Chemistry - A European Journal ◽

10.1002/chem.19960020309 ◽

1996 ◽

Vol 2 (3) ◽

pp. 285-294 ◽

Author(s):

Thomas Kowall ◽

François Foglia ◽

Lothar Helm ◽

André E. Merbach

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Molecular Dynamics Simulation ◽

Water Exchange ◽

Pressure Effects ◽

Dynamics Simulation ◽

Simulation Approach ◽

High Pressure Effects

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