Molecular Dynamics Simulation of Gas Solubility in Room Temperature Ionic Liquids

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb20051015 ◽

2005 ◽

Vol 21 (10) ◽

pp. 1138-1142 ◽

Author(s):

WU Xiao-ping ◽

◽

LIU Zhi-ping ◽

WANG Wen-chuan

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Room Temperature ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids ◽

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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 ◽

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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Nanoscale organization in room temperature ionic liquids: a coarse grained molecular dynamics simulation study

Soft Matter ◽

10.1039/b710801j ◽

2007 ◽

Vol 3 (11) ◽

pp. 1395 ◽

Author(s):

B. Lokegowda Bhargava ◽

Russell Devane ◽

Michael L. Klein ◽

Sundaram Balasubramanian

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Room Temperature ◽

Dynamics Simulation ◽

Coarse Grained ◽

Room Temperature Ionic Liquids ◽

Coarse Grained Molecular Dynamics

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Solvation of “big” spherical solutes in room temperature ionic liquids and at their aqueous interface: A molecular dynamics simulation study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2006.08.055 ◽

2007 ◽

Vol 131-132 ◽

pp. 36-47 ◽

Author(s):

A. Chaumont ◽

G. Wipff

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Room Temperature ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids

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A comparison of ether- and alkyl-derivatized imidazolium-based room-temperature ionic liquids: a molecular dynamics simulation study

Physical Chemistry Chemical Physics ◽

10.1039/b808303g ◽

2008 ◽

Vol 10 (41) ◽

pp. 6301 ◽

Author(s):

Grant D. Smith ◽

Oleg Borodin ◽

Liyong Li ◽

Hojin Kim ◽

Qin Liu ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Room Temperature ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids

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Anion pairs in room temperature ionic liquids predicted by molecular dynamics simulation, verified by spectroscopic characterization

RSC Advances ◽

10.1039/c3ra46069j ◽

2014 ◽

Vol 4 (11) ◽

pp. 5457 ◽

Author(s):

Birgit Schwenzer ◽

Sebastien N. Kerisit ◽

M. Vijayakumar

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Room Temperature ◽

Spectroscopic Characterization ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids

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Nanoclusters of room temperature ionic liquids: a molecular dynamics simulation study

Physical Chemistry Chemical Physics ◽

10.1039/b908339a ◽

2009 ◽

Vol 11 (39) ◽

pp. 8745 ◽

Author(s):

S.S. Sarangi ◽

B.L. Bhargava ◽

S. Balasubramanian

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Room Temperature ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids

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A molecular dynamics simulation study of the electric double layer and capacitance of [BMIM][PF6] and [BMIM][BF4] room temperature ionic liquids near charged surfaces

Physical Chemistry Chemical Physics ◽

10.1039/c3cp51218e ◽

2013 ◽

Vol 15 (34) ◽

pp. 14234 ◽

Author(s):

Zongzhi Hu ◽

Jenel Vatamanu ◽

Oleg Borodin ◽

Dmitry Bedrov

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Double Layer ◽

Simulation Study ◽

Electric Double Layer ◽

Room Temperature ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids ◽

Charged Surfaces

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Molecular dynamics simulation of membrane in room temperature ionic liquids

10.1063/1.5005466 ◽

2017 ◽

Author(s):

Soong Guan Theng ◽

Khairulazhar bin Jumbri ◽

Mohd Dzul Hakim Wirzal

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Room Temperature ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids

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Cover Feature: Ether‐Functionalized Pyrrolidinium‐Based Room Temperature Ionic Liquids: Physicochemical Properties, Molecular Dynamics, and the Lithium Ion Coordination Environment (15/2021)

ChemPhysChem ◽

10.1002/cphc.202100512 ◽

2021 ◽

Vol 22 (15) ◽

pp. 1544-1544

Author(s):

Kazuki Yoshii ◽

Takuya Uto ◽

Takakazu Onishi ◽

Daichi Kosuga ◽

Naoki Tachikawa ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Physicochemical Properties ◽

Room Temperature ◽

Lithium Ion ◽

Room Temperature Ionic Liquids ◽

Coordination Environment

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Ether‐functionalized Pyrrolidinium‐based Room Temperature Ionic Liquids: Physicochemical Properties, Molecular Dynamics, and the Li ion Coordination Environment

ChemPhysChem ◽

10.1002/cphc.202100380 ◽

2021 ◽

Author(s):

Kazuki Yoshii ◽

Takuya Uto ◽

Takakazu Onishi ◽

Daichi Kosuga ◽

Naoki Tachikawa ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Physicochemical Properties ◽

Room Temperature ◽

Room Temperature Ionic Liquids ◽

Coordination Environment ◽

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