Molecular dynamics simulation of a model reverse micelle

1988 ◽  
Vol 92 (10) ◽  
pp. 2881-2888 ◽  
Author(s):  
D. Brown ◽  
J. H. R. Clarke
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Reverse Micelle ◽  
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.

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