Molecular dynamics simulations of solvent-exfoliation and stabilization of graphene with the assistance of compressed carbon dioxide and pyrene–polyethylene glycol

2017 ◽  
Vol 19 (24) ◽  
pp. 16062-16070 ◽  
Author(s):  
Xiaodan Xu ◽  
Lu Cai ◽  
Xiaoli Zheng ◽  
Qun Xu
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Polyethylene Glycol ◽  
Molecular Dynamics Simulations ◽  
Compressed Carbon Dioxide ◽  
Dynamics Simulations

Understanding the solvent-exfoliation and stabilization of graphene with cpCO2and pyrene–polyethylene glycol from 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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