Li+ Solvation and Transport Properties in Ionic Liquid/Lithium Salt Mixtures: A Molecular Dynamics Simulation Study

Zhe Li; Grant D. Smith; Dmitry Bedrov

doi:10.1021/jp3052246

Li+ Solvation and Transport Properties in Ionic Liquid/Lithium Salt Mixtures: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp3052246 ◽

2012 ◽

Vol 116 (42) ◽

pp. 12801-12809 ◽

Cited By ~ 92

Author(s):

Zhe Li ◽

Grant D. Smith ◽

Dmitry Bedrov

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Transport Properties ◽

Simulation Study ◽

Lithium Salt ◽

Dynamics Simulation ◽

Liquid Lithium ◽

Salt Mixtures

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Lithium coordination and diffusion coefficients of PEGylated ionic liquid and lithium salt blends: A molecular dynamics simulation study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.115694 ◽

2021 ◽

pp. 115694

Author(s):

Ramaswamy I. Venkatanarayanan ◽

Janice L. Lebga-Nebane ◽

Lin Wu ◽

Sitaraman Krishnan

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Diffusion Coefficients ◽

Lithium Salt ◽

Dynamics Simulation ◽

And Diffusion

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Equations of states for an ionic liquid under high pressure: A molecular dynamics simulation study

The Journal of Chemical Thermodynamics ◽

10.1016/j.jct.2014.03.028 ◽

2014 ◽

Vol 74 ◽

pp. 39-42 ◽

Cited By ~ 10

Author(s):

Mauro C.C. Ribeiro ◽

Agílio A.H. Pádua ◽

Margarida F.C. Gomes

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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Transport Properties of the Ionic Liquid 1-Ethyl-3-Methylimidazolium Chloride from Equilibrium Molecular Dynamics Simulation. The Effect of Temperature

The Journal of Physical Chemistry B ◽

10.1021/jp0680746 ◽

2006 ◽

Vol 110 (32) ◽

pp. 16157-16157 ◽

Cited By ~ 4

Author(s):

Carlos Rey-Castro ◽

Lourdes F. Vega

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Transport Properties ◽

Dynamics Simulation ◽

Effect Of Temperature

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Nonpolar solvation dynamics for a nonpolar solute in room temperature ionic liquid: a nonequilibrium molecular dynamics simulation study

Journal of Chemical Sciences ◽

10.1007/s12039-017-1404-1 ◽

2018 ◽

Vol 130 (1) ◽

Cited By ~ 1

Author(s):

Sandipa Indra ◽

Snehasis Daschakraborty

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Room Temperature ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Solvation Dynamics ◽

Nonpolar Solvation ◽

Nonequilibrium Molecular Dynamics Simulation

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A Molecular Dynamics Simulation Study of Ionic Liquid-Solvent Mixtures as Electrolytes for Lithium Batteries

ECS Meeting Abstracts ◽

10.1149/ma2010-02/9/594 ◽

2010 ◽

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Lithium Batteries ◽

Dynamics Simulation ◽

Solvent Mixtures

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Ionic Liquid-Lithium Salt Mixtures: Linking Ion Structure with Electrolyte Transport Properties

ECS Meeting Abstracts ◽

10.1149/ma2011-02/17/1233 ◽

2011 ◽

Keyword(s):

Ionic Liquid ◽

Transport Properties ◽

Lithium Salt ◽

Electrolyte Transport ◽

Liquid Lithium ◽

Ion Structure ◽

Salt Mixtures

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Distance Angle Descriptors of the Interionic and Ion–Solvent Interactions in Imidazolium-Based Ionic Liquid Mixtures with Aprotic Solvents: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.9b03838 ◽

2019 ◽

Vol 123 (28) ◽

pp. 6065-6075 ◽

Cited By ~ 3

Author(s):

Volodymyr A. Koverga ◽

Yevheniia Smortsova ◽

François Alexandre Miannay ◽

Oleg N. Kalugin ◽

Toshiyuki Takamuku ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Liquid Mixtures ◽

Dynamics Simulation ◽

Aprotic Solvents ◽

Solvent Interactions

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Transport Properties of Waxy Crude Oil: A Molecular Dynamics Simulation Study

ACS Omega ◽

10.1021/acsomega.0c00070 ◽

2020 ◽

Vol 5 (30) ◽

pp. 18557-18564

Author(s):

Xuejiao Chen ◽

Lei Hou ◽

Xiaoyu Wei ◽

Dmitry Bedrov

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Crude Oil ◽

Transport Properties ◽

Simulation Study ◽

Dynamics Simulation ◽

Waxy Crude Oil ◽

Waxy Crude

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Transport properties of bulk water at 243–550 K: a Comparative molecular dynamics simulation study using SPC/E, TIP4P, and TIP4P/2005 water models

Molecular Physics ◽

10.1080/00268976.2018.1562123 ◽

2019 ◽

Vol 117 (14) ◽

pp. 1926-1933 ◽

Cited By ~ 4

Author(s):

Song Hi Lee ◽

Jahun Kim

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Transport Properties ◽

Simulation Study ◽

Bulk Water ◽

Dynamics Simulation ◽

Water Models

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Effects of variation in chain length on ternary polymer electrolyte – Ionic liquid mixture – A molecular dynamics simulation study

Journal of Power Sources ◽

10.1016/j.jpowsour.2015.06.030 ◽

2015 ◽

Vol 293 ◽

pp. 983-992 ◽

Cited By ~ 7

Author(s):

S.G. Raju ◽

Krishnan S. Hariharan ◽

Da-Hye Park ◽

HyoRang Kang ◽

Subramanya Mayya Kolake

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Polymer Electrolyte ◽

Chain Length ◽

Simulation Study ◽

Liquid Mixture ◽

Dynamics Simulation ◽

Ternary Polymer

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