Molecular Dynamics Studies of Cation Aggregation in the Room Temperature Ionic Liquid [C10mim][Br] in Aqueous Solution†

2009 ◽  
Vol 113 (10) ◽  
pp. 1898-1904 ◽  
Author(s):  
B. L. Bhargava ◽  
Michael L. Klein
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Ionic Liquid ◽  
Room Temperature ◽  
Room Temperature Ionic Liquid

An Electrochemical and ESR Spectroscopic Study on the Molecular Dynamics of TEMPO in Room Temperature Ionic Liquid Solvents

ChemPhysChem ◽  
2005 ◽  
Vol 6 (6) ◽  
pp. 1035-1039 ◽  
Author(s):  
Russell G. Evans ◽  
Andrew J. Wain ◽  
Christopher Hardacre ◽  
Richard G. Compton
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Spectroscopic Study ◽  
Room Temperature ◽  
Room Temperature Ionic Liquid

When do defectless alkanethiol SAMs in ionic liquids become penetrable? A molecular dynamics study

2015 ◽  
Vol 17 (47) ◽  
pp. 31947-31955 ◽  
Author(s):  
Sergey A. Kislenko ◽  
Victoria A. Nikitina ◽  
Renat R. Nazmutdinov
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulations ◽  
Room Temperature ◽  
Room Temperature Ionic Liquid ◽  
Self Assembled Monolayers ◽  
Assembled Monolayers ◽  
Self Assembled ◽  
Dynamics Simulations

Molecular dynamics simulations were performed to address the permeability of defectless alkanethiol self-assembled monolayers (SAMs) on charged and uncharged Au(111) surfaces in 1-butyl-3-methylimidazolium ([bmim][BF4]) room-temperature ionic liquid (IL).

Atomistic reverse nonequilibrium molecular dynamics simulation of the viscosity of ionic liquid 1-n-butyl 3-methylimidazolium bis(trifluoromethylsulfonyl)imide [bmim][Tf2N]

2018 ◽  
Vol 20 (33) ◽  
pp. 21544-21551 ◽  
Author(s):  
Rouhollah Safinejad ◽  
Nargess Mehdipour ◽  
Hossein Eslami
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Shear Viscosity ◽  
Room Temperature ◽  
Room Temperature Ionic Liquid ◽  
Dynamics Simulation ◽  
Nonequilibrium Molecular Dynamics ◽  
Temperature Range ◽  
Nonequilibrium Molecular Dynamics Simulation

The shear viscosity of room-temperature ionic liquid (IL) 1-n-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide [bmim][Tf2N] is calculated over a temperature range 298–353 K, using the reverse nonequilibrium molecular dynamics simulation technique.

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