Molecular dynamics simulations of interfacial properties of the CO2–water and CO2–CH4–water systems

2020 ◽  
Vol 153 (4) ◽  
pp. 044701
Author(s):  
Parisa Naeiji ◽  
Tom K. Woo ◽  
Saman Alavi ◽  
Ryo Ohmura
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Interfacial Properties ◽  
Water Systems ◽  
Dynamics Simulations

Interfacial anomaly in low global warming potential refrigerant blends as predicted by molecular dynamics simulations

2019 ◽  
Vol 21 (39) ◽  
pp. 22092-22102 ◽  
Author(s):  
Yuting Li ◽  
Wael A. Fouad ◽  
Lourdes F. Vega
Keyword(s):  
Molecular Dynamics ◽  
Global Warming ◽  
Molecular Dynamics Simulations ◽  
Global Warming Potential ◽  
Md Simulations ◽  
Interfacial Properties ◽  
Anomalous Behavior ◽  
Dynamics Simulations ◽  
Low Global Warming Potential

Anomalous behavior of the interfacial properties of low GWP refrigerants predicted by MD simulations.

ReaxFF molecular dynamics simulations of electrolyte–water systems at supercritical temperature

2020 ◽  
Vol 152 (20) ◽  
pp. 204502
Author(s):  
Nabankur Dasgupta ◽  
Yun Kyung Shin ◽  
Mark V. Fedkin ◽  
Adri van Duin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Water Systems ◽  
Dynamics Simulations ◽  
Supercritical Temperature
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