Molecular Dynamics Simulation of a Reverse Micelle Self Assembly in Supercritical CO2

2004 ◽  
Vol 126 (33) ◽  
pp. 10254-10255 ◽  
Author(s):  
Lanyuan Lu ◽  
Max L. Berkowitz
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Reverse Micelle ◽  
Self Assembly ◽  
Supercritical Co2 ◽  
Dynamics Simulation

scholarly journals Molecular Dynamics Simulation of Aggregates in the Dodecane/span80 System and Their Behaviour in an Electric Field

2015 ◽  
Vol 2015 ◽  
pp. 1-9 ◽  
Author(s):  
Madhusoodanan Mannoor ◽  
Sangmo Kang ◽  
Yong Kweon Suh
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Electric Field ◽  
Reverse Micelle ◽  
Self Assembly ◽  
Reverse Micelles ◽  
Charge Carriers ◽  
Dynamics Simulation ◽  
The Core ◽  
Solvated Ions

Molecular dynamics simulation of self-assembly of surfactant span80 molecules to form reverse micelles in nonpolar liquid dodecane is carried out. Simulations are performed using a united atom model for dodecane and a hybrid model for span80 molecules. Various physical characteristics of reverse micelle are measured, and the same are compared with available experimental results. Presence of charge carriers in the form of solvated ions in the core of reverse micelles is confirmed by the simulation. Movement of reverse micelles under the effect of uniform external electric field is also discussed.

scholarly journals Mechanism of asphaltene aggregation induced by supercritical CO2: insights from molecular dynamics simulation

RSC Advances ◽  
2017 ◽  
Vol 7 (80) ◽  
pp. 50786-50793 ◽  
Author(s):  
Bing Liu ◽  
Jiawei Li ◽  
Chao Qi ◽  
Xiaoqi Li ◽  
Tingyi Mai ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Supercritical Co2 ◽  
Selective Extraction ◽  
Dynamics Simulation ◽  
Aggregation Process

Asphaltene was found first separated and then associated in aggregation process due to the selective extraction.

Molecular insights into the self-assembly of short amphiphilic peptides FmDn and FmKn

RSC Advances ◽  
2014 ◽  
Vol 4 (105) ◽  
pp. 60741-60748 ◽  
Author(s):  
Naresh Thota ◽  
Yijia Ma ◽  
Jianwen Jiang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Self Assembly ◽  
The Self ◽  
Dynamics Simulation ◽  
Amphiphilic Peptides

Molecular dynamics simulation is reported for the self-assembly of short amphiphilic peptides FmDn and FmKn.

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