scholarly journals Molecular dynamics simulation of the electrical double layer in ionic liquids

2013 ◽  
Vol 418 ◽  
pp. 012021 ◽  
Author(s):  
S A Kislenko ◽  
R H Amirov ◽  
I S Samoylov
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Double Layer ◽  
Electrical Double Layer ◽  
Dynamics Simulation

scholarly journals Dynamic behaviour of the silica-water-bio electrical double layer in the presence of a divalent electrolyte

2017 ◽  
Vol 19 (4) ◽  
pp. 2687-2701 ◽  
Author(s):  
B. M. Lowe ◽  
Y. Maekawa ◽  
Y. Shibuta ◽  
T. Sakata ◽  
C.-K. Skylaris ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Charge Distribution ◽  
Double Layer ◽  
Electrical Double Layer ◽  
Electric Double Layer ◽  
Dynamic Behaviour ◽  
Dynamics Simulation ◽  
Mixed Electrolyte

Molecular dynamics simulation of the electric double layer at the silica-water-bio interface in mixed electrolyte. Water orientation and charge distribution showed a significant effect on the electrostatics at the interface.

Molecular Dynamics Simulation of Highly Confined Glassy Ionic Liquids

2016 ◽  
Vol 120 (2) ◽  
pp. 1013-1024 ◽  
Author(s):  
Georgios Kritikos ◽  
Niki Vergadou ◽  
Ioannis G. Economou
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation

Molecular dynamics simulation of geminal dicationic ionic liquids [Cn(mim)2][NTf2]2 – structural and dynamical properties

2018 ◽  
Vol 20 (1) ◽  
pp. 435-448 ◽  
Author(s):  
Majid Moosavi ◽  
Fatemeh Khashei ◽  
Elaheh Sedghamiz
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Liquid Phase ◽  
Molecular Basis ◽  
Dynamics Simulation ◽  
Bulk Liquid ◽  
Fundamental Understanding ◽  
Dicationic Ionic Liquids ◽  
Dynamical Properties

The structural and dynamical properties of two dicationic ionic liquids, i.e. [Cn(mim)2][NTf2]2 with n = 3 and 5, have been studied to obtain a fundamental understanding of the molecular basis of the macroscopic and microscopic properties of the bulk liquid phase.

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