Nucleation and dissociation of carbon dioxide hydrate in the inter- and intra-particle pores of dioctahedral smectite: Mechanistic insights from molecular dynamics simulations

2022 ◽  
Vol 216 ◽  
pp. 106344
Author(s):  
Yun Li ◽  
Songbai Han ◽  
Baifa Zhang ◽  
Hui Tang ◽  
Jun Han ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Carbon Dioxide Hydrate ◽  
Dioctahedral Smectite ◽  
Dynamics Simulations

Growth of Structure I Carbon Dioxide Hydrate from Molecular Dynamics Simulations

2011 ◽  
Vol 115 (15) ◽  
pp. 7504-7515 ◽  
Author(s):  
Yen-Tien Tung ◽  
Li-Jen Chen ◽  
Yan-Ping Chen ◽  
Shiang-Tai Lin
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Carbon Dioxide Hydrate ◽  
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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