Molecular Dynamics Simulation and Pulsed-Field Gradient NMR Studies of Bis(fluorosulfonyl)imide (FSI) and Bis[(trifluoromethyl)sulfonyl]imide (TFSI)-Based Ionic Liquids

2010 ◽  
Vol 114 (20) ◽  
pp. 6786-6798 ◽  
Author(s):  
Oleg Borodin ◽  
W. Gorecki ◽  
Grant D. Smith ◽  
Michel Armand
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Field Gradient ◽  
Dynamics Simulation ◽  
Nmr Studies ◽  
Pulsed Field Gradient Nmr ◽  
Pulsed Field

Lithium-ion diffusivity in complex hydrides: Pulsed-field-gradient NMR studies of LiLa(BH4)3Cl, Li3(NH2)2I and Li-1-CB9H10

2021 ◽  
Vol 362 ◽  
pp. 115585
Author(s):  
A.V. Skripov ◽  
G. Majer ◽  
O.A. Babanova ◽  
R.V. Skoryunov ◽  
A.V. Soloninin ◽  
...  
Keyword(s):  
Field Gradient ◽  
Lithium Ion ◽  
Nmr Studies ◽  
Pulsed Field Gradient Nmr ◽  
Pulsed Field ◽  
Complex Hydrides

Influence of Water on Diffusion in Imidazolium-Based Ionic Liquids: A Pulsed Field Gradient NMR study

2009 ◽  
Vol 113 (18) ◽  
pp. 6353-6359 ◽  
Author(s):  
Amrish Menjoge ◽  
JaNeille Dixon ◽  
Joan F. Brennecke ◽  
Edward J. Maginn ◽  
Sergey Vasenkov
Keyword(s):  
Ionic Liquids ◽  
Field Gradient ◽  
Pulsed Field Gradient Nmr ◽  
Pulsed Field ◽  
Nmr Study ◽  
Influence Of Water

Diffusion of Tetrafluoromethane in Single-Walled Aluminosilicate Nanotubes: Pulsed Field Gradient NMR and Molecular Dynamics Simulations

2012 ◽  
Vol 116 (40) ◽  
pp. 21350-21355 ◽  
Author(s):  
Muslim Dvoyashkin ◽  
Ji Zang ◽  
G. Ipek Yucelen ◽  
Aakanksha Katihar ◽  
Sankar Nair ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Field Gradient ◽  
Pulsed Field Gradient Nmr ◽  
Pulsed Field ◽  
Dynamics Simulations

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

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 Membrane Free Energy Profiles Using Accurate Force Field for Ionic Liquids

2017 ◽  
pp. 265-284
Author(s):  
Thorsten Köddermann ◽  
Martin R. Schenk ◽  
Marco Hülsmann ◽  
Andreas Krämer ◽  
Karl N. Kirschner ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Force Field ◽  
Dynamics Simulation ◽  
Energy Profiles ◽  
Free Energy Profiles

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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