Structure and Dynamics of Ionic Liquid [MMIM][Br] Confined in Hydrophobic and Hydrophilic Porous Matrices: A Molecular Dynamics Simulation Study

Anirban Sharma; Pradip Kr. Ghorai

doi:10.1021/acs.jpcb.6b07269

Structure and Dynamics of Ionic Liquid [MMIM][Br] Confined in Hydrophobic and Hydrophilic Porous Matrices: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.6b07269 ◽

2016 ◽

Vol 120 (45) ◽

pp. 11790-11799 ◽

Cited By ~ 2

Author(s):

Anirban Sharma ◽

Pradip Kr. Ghorai

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure And Dynamics ◽

Porous Matrices

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Intermolecular structure and dynamics in an ionic liquid: A Car–Parrinello molecular dynamics simulation study of 1,3-dimethylimidazolium chloride

Chemical Physics Letters ◽

10.1016/j.cplett.2005.10.050 ◽

2006 ◽

Vol 417 (4-6) ◽

pp. 486-491 ◽

Cited By ~ 115

Author(s):

B.L. Bhargava ◽

S. Balasubramanian

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure And Dynamics

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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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Local intermolecular structure and dynamics in binary supercritical solutions. A molecular dynamics simulation study of methane in carbon dioxide

Journal of Molecular Liquids ◽

10.1016/j.molliq.2005.11.023 ◽

2006 ◽

Vol 125 (2-3) ◽

pp. 181-186 ◽

Cited By ~ 15

Author(s):

Ioannis Skarmoutsos ◽

Jannis Samios

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure And Dynamics ◽

Supercritical Solutions

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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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Water hydrogen-bonding structure and dynamics near lipid multibilayer surface: Molecular dynamics simulation study with direct experimental comparison

The Journal of Chemical Physics ◽

10.1063/1.5120456 ◽

2019 ◽

Vol 151 (11) ◽

pp. 114705 ◽

Cited By ~ 6

Author(s):

Euihyun Lee ◽

Achintya Kundu ◽

Jonggu Jeon ◽

Minhaeng Cho

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Experimental Comparison ◽

Bonding Structure ◽

Structure And Dynamics ◽

Water Hydrogen

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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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Effects of Silica Surfaces on the Structure and Dynamics of Room-Temperature Ionic Liquids: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b10567 ◽

2017 ◽

Vol 122 (1) ◽

pp. 624-634 ◽

Cited By ~ 18

Author(s):

Tamisra Pal ◽

Constantin Beck ◽

Dominik Lessnich ◽

Michael Vogel

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Room Temperature ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids ◽

Silica Surfaces ◽

Structure And Dynamics

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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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Effect of Uranyl Ion Concentration on Structure and Dynamics of Aqueous Uranyl Solution: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp506477s ◽

2014 ◽

Vol 118 (49) ◽

pp. 14373-14381 ◽

Cited By ~ 18

Author(s):

Manish Chopra ◽

Niharendu Choudhury

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Uranyl Ion ◽

Ion Concentration ◽

Dynamics Simulation ◽

Structure And Dynamics

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