Effects of repulsive interaction on the electric double layer of an imidazolium-based ionic liquid by molecular dynamics simulation

2015 ◽  
Vol 17 (4) ◽  
pp. 2628-2633 ◽  
Author(s):  
Wenyang Jin ◽  
Xiaohong Liu ◽  
Yining Han ◽  
Shu Li ◽  
Tianying Yan
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Double Layer ◽  
Electric Double Layer ◽  
Graphite Electrode ◽  
Dynamics Simulation ◽  
Repulsive Interaction

Effects of repulsion between BMIM+/PF6− and the graphite electrode on electric double layer was studied by molecular dynamics simulation.

scholarly journals An electric double layer structure and differential capacitance at the electrode interface of tributylmethylammonium bis(trifluoromethanesulfonyl)amide studied using a molecular dynamics simulation

2020 ◽  
Vol 22 (9) ◽  
pp. 5198-5210 ◽  
Author(s):  
Seiji Katakura ◽  
Naoya Nishi ◽  
Kazuya Kobayashi ◽  
Ken-ichi Amano ◽  
Tetsuo Sakka
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Quaternary Ammonium ◽  
Electric Double Layer ◽  
Layer Structure ◽  
Differential Capacitance ◽  
Dynamics Simulation ◽  
Double Layer Structure ◽  
Electrode Interface

A molecular dynamics simulation at the electrode interface of a quaternary ammonium ionic liquid, tributylmethylammonium bis(trifluoromethanesulfonyl)amide ([N1444+][TFSA−]), has been performed.

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.

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