Understanding the influence of Coulomb and dispersion interactions on the wetting behavior of ionic liquids

2014 ◽  
Vol 141 (17) ◽  
pp. 174706 ◽  
Author(s):  
Kaustubh S. Rane ◽  
Jeffrey R. Errington
Keyword(s):  
Ionic Liquids ◽  
Dispersion Interactions ◽  
Wetting Behavior

Molecular Insights into the Abnormal Wetting Behavior of Ionic Liquids Induced by the Solidified Ionic Layer

2020 ◽  
Vol 59 (16) ◽  
pp. 8028-8036 ◽  
Author(s):  
Chenlu Wang ◽  
Cheng Qian ◽  
Zhen Li ◽  
Ning Wei ◽  
Ning Zhang ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Wetting Behavior ◽  
Ionic Layer

Electrotunable lubricity with ionic liquids: the influence of nanoscale roughness

2017 ◽  
Vol 199 ◽  
pp. 279-297 ◽  
Author(s):  
Alessio David ◽  
Oscar Y. Fajardo ◽  
Alexei A. Kornyshev ◽  
Michael Urbakh ◽  
Fernando Bresme
Keyword(s):  
Ionic Liquids ◽  
Electrostatic Potential ◽  
Lower Surface ◽  
Coarse Grained ◽  
Dispersion Interactions ◽  
Surface Charges ◽  
Flat Surfaces ◽  
Non Equilibrium Molecular Dynamics ◽  
The One ◽  
Dynamics Simulations

The properties of ionic liquids can be modified by applying an external electrostatic potential, providing a route to control their performance in nanolubrication applications. Most computational studies to date have focused on the investigation of smooth surfaces. Real surfaces are generally inhomogeneous and feature roughness of different length scales. We report here a study of the possible effects that surface roughness may have on electrotunable lubricity with ionic liquids, performed here by means of non-equilibrium molecular dynamics simulations. In order to advance our understanding of the interplay of friction and substrate structure we investigate coarse grained models of ionic liquids confined in model surfaces with nanometer roughness. The friction is shown to depend on the roughness of the substrate and the direction of shear. For the investigated systems, the friction coefficient is found to increase with roughness. These results are in contrast with previous studies, where roughness induced reduction of friction was reported, and they highlight the strong sensitivity of the friction process to the structure of the surfaces. The friction force features a maximum at a specific surface charge density. This behaviour is reminiscent of the one reported in ionic liquids confined by flat surfaces, showing the generality of this physical effect in confined ionic liquids. We find that an increase of the substrate–liquid dispersion interactions shifts the maximum to lower surface charges. This effect opens a route to control electrotunable friction phenomena by tuning both the electrostatic potential and the composition of the confining surfaces.

CO Permeability and Wetting Behavior of Ionic Liquids on Pt(111): An IRAS and PM-IRAS Study from Ultrahigh Vacuum to Ambient Pressure

2021 ◽  
Author(s):  
Dominik Blaumeiser ◽  
Christian Schuschke ◽  
Lukas Fromm ◽  
Nicola Taccardi ◽  
Simon Schötz ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Ambient Pressure ◽  
Ultrahigh Vacuum ◽  
Wetting Behavior

scholarly journals Humidity-accelerated spreading of ionic liquids on a mica surface

RSC Advances ◽  
2017 ◽  
Vol 7 (68) ◽  
pp. 42718-42724 ◽  
Author(s):  
Zhantao Wang ◽  
Fuxi Shi ◽  
Cunlu Zhao
Keyword(s):  
Ionic Liquids ◽  
Water Vapor ◽  
Relative Humidity ◽  
Film Formation ◽  
Water Vapor Adsorption ◽  
Precursor Film ◽  
Mica Surface ◽  
Droplet Spreading ◽  
Wetting Behavior

The role of relative humidity (RH) on the wetting behavior of droplets of two [Rmim][NTf2] ionic liquids (ILs) on a mica surface was investigated and water vapor adsorption was found to enhance the ILs precursor film formation and droplet spreading.

scholarly journals Dispersion interactions in room-temperature ionic liquids: Results from a non-empirical density functional

2011 ◽  
Vol 135 (15) ◽  
pp. 154505 ◽  
Author(s):  
Jorge Kohanoff ◽  
Carlos Pinilla ◽  
Tristan G. A. Youngs ◽  
Emilio Artacho ◽  
José M. Soler
Keyword(s):  
Ionic Liquids ◽  
Density Functional ◽  
Room Temperature ◽  
Room Temperature Ionic Liquids ◽  
Dispersion Interactions ◽  
Empirical Density

The wetting behavior of aqueous imidazolium based ionic liquids: a molecular dynamics study

2020 ◽  
Vol 22 (16) ◽  
pp. 8595-8605 ◽  
Author(s):  
Sanchari Bhattacharjee ◽  
Sandip Khan
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Liquid Droplet ◽  
Graphite Sheet ◽  
Wetting Behavior ◽  
Hydrophobic Ionic Liquid

Aqueous hydrophilic and hydrophobic ionic liquid droplet on graphite sheet.

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