A Computer Simulation Study on Self- and Cross-Aggregation of Multiple Polar Species in Supercritical Carbon Dioxide

2010 ◽  
Vol 114 (16) ◽  
pp. 5414-5428 ◽  
Author(s):  
Wenhao Xu ◽  
Jichu Yang
Keyword(s):  
Carbon Dioxide ◽  
Computer Simulation ◽  
Supercritical Carbon Dioxide ◽  
Simulation Study ◽  
Computer Simulation Study ◽  
Polar Species ◽  
Supercritical Carbon

Computer simulation study of fluorocarbon phosphate surfactant based aqueous reverse micelle in supercritical CO2: roles of surfactant functional groups, ionic strength, and phase changes in CO2

2020 ◽  
Vol 22 (6) ◽  
pp. 3434-3445 ◽  
Author(s):  
Youngseon Shim
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Computer Simulation ◽  
Ionic Strength ◽  
Computer Simulations ◽  
Simulation Study ◽  
Supercritical Co2 ◽  
Dynamic Properties ◽  
Phase Changes ◽  
Computer Simulation Study

Structural and dynamic properties of an aqueous micelle organized from fluorocarbon phosphate surfactant molecules in supercritical carbon dioxide are investigated via molecular dynamics computer simulations.

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