Role of image charges in ionic liquid confined between metallic interfaces

2020 ◽  
Vol 22 (19) ◽  
pp. 10786-10791 ◽  
Author(s):  
Samuel Ntim ◽  
Marialore Sulpizi
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Minor Role ◽  
Liquid Gold ◽  
Metallic Interfaces ◽  
Dynamical Properties ◽  
Dynamics Simulations ◽  
A Minor

Atomistic molecular dynamics simulations unveil a minor role of metal polarisation at ionic liquid/gold interface and provide a novel description of the interface where long range effects are seen in dynamical properties up to 10 nm from surface.

Potential dependent changes in the structural and dynamical properties of 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide on graphite electrodes revealed by molecular dynamics simulations

2018 ◽  
Vol 20 (29) ◽  
pp. 19408-19415 ◽  
Author(s):  
Hiroo Miyamoto ◽  
Yasuyuki Yokota ◽  
Akihito Imanishi ◽  
Kouji Inagaki ◽  
Yoshitada Morikawa ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Dynamic Properties ◽  
Graphite Electrodes ◽  
Dynamical Properties ◽  
Dynamics Simulations

Surface distributions and the dynamic properties of an ionic liquid on charged graphite electrodes.

Exploring secondary interactions and the role of temperature in moisture-contaminated polymer networks through molecular simulations

Soft Matter ◽  
2021 ◽  
Vol 17 (10) ◽  
pp. 2942-2956
Author(s):  
Rishabh D. Guha ◽  
Ogheneovo Idolor ◽  
Katherine Berkowitz ◽  
Melissa Pasquinelli ◽  
Landon R. Grace
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Temperature Variation ◽  
Polymer Networks ◽  
Molecular Simulations ◽  
Effect Of Temperature ◽  
Secondary Interactions ◽  
Dynamics Simulations ◽  
Secondary Bonding

We investigated the effect of temperature variation on the secondary bonding interactions between absorbed moisture and epoxies with different morphologies using molecular dynamics simulations.

scholarly journals Molecular insights on poly(N-isopropylacrylamide) coil-to-globule transition induced by pressure

2021 ◽  
Vol 23 (10) ◽  
pp. 5984-5991
Author(s):  
Letizia Tavagnacco ◽  
Ester Chiessi ◽  
Emanuela Zaccarelli
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Chain ◽  
Linear Polymer ◽  
Dynamics Simulations ◽  
Linear Polymer Chain

By using extensive all-atom molecular dynamics simulations of an atactic linear polymer chain, we unveil the role of pressure in the coil-to-globule transition of poly(N-isopropylacrylamide) (PNIPAM).

Sign in / Sign up

Export Citation Format

Share Document