Molecular dynamics simulation of electric-field-induced self-assembly of diblock copolymers

2016 ◽  
Vol 144 (23) ◽  
pp. 234901 ◽  
Author(s):  
Qiuzhi Zhang ◽  
Rui Xu ◽  
Di Kan ◽  
Xuehao He
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Electric Field ◽  
Self Assembly ◽  
Diblock Copolymers ◽  
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.

Brownian Molecular Dynamics Simulation on Self-Assembly Behavior of Rod−Coil Diblock Copolymers

2007 ◽  
Vol 40 (5) ◽  
pp. 1684-1692 ◽  
Author(s):  
Shaoliang Lin ◽  
Naoko Numasawa ◽  
Takuhei Nose ◽  
Jiaping Lin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Self Assembly ◽  
Diblock Copolymers ◽  
Dynamics Simulation ◽  
Assembly Behavior

Influence of electric field on nanoconfined proton behaviours: A molecular dynamics simulation

2020 ◽  
Vol 319 ◽  
pp. 114113
Author(s):  
En Jiang ◽  
Jun Huo ◽  
Yang Luo ◽  
Zhiying Li ◽  
Xiaopeng Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Electric Field ◽  
Dynamics Simulation
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