Exfoliation and stabilization mechanism of graphene in carbon dioxide expanded organic solvents: molecular dynamics simulations

2020 ◽  
Vol 22 (4) ◽  
pp. 2061-2072 ◽  
Author(s):  
Lu Cai ◽  
Sensheng Hou ◽  
Xiangyu Wei ◽  
Guangsu Tan ◽  
Zhengwei Peng ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Organic Solvents ◽  
Stabilization Mechanism ◽  
Dynamics Simulations

The exfoliation mechanism of graphene in CO2 expanded solvents with different organic parts was quantitatively explained using molecular dynamics simulations.

Carbon Dioxide Solubility in Three Fluorinated Polyimides Studied by Molecular Dynamics Simulations

2010 ◽  
Vol 43 (5) ◽  
pp. 2605-2621 ◽  
Author(s):  
Sudharsan Pandiyan ◽  
David Brown ◽  
Sylvie Neyertz ◽  
N. F. A. van der Vegt
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Fluorinated Polyimides ◽  
Dynamics Simulations

Molecular Dynamics Simulations of Carbon Dioxide Intercalation in Hydrated Na-Montmorillonite

2013 ◽  
Vol 117 (21) ◽  
pp. 11028-11039 ◽  
Author(s):  
Evgeniy M. Myshakin ◽  
Wissam A. Saidi ◽  
Vyacheslav N. Romanov ◽  
Randall T. Cygan ◽  
Kenneth D. Jordan
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations
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