Molecular simulation study of dynamical properties of room temperature ionic liquids with carbon pieces

Science China Chemistry ◽

10.1007/s11426-016-5580-5 ◽

2016 ◽

Vol 59 (5) ◽

pp. 594-600 ◽

Author(s):

Guang Feng ◽

Wei Zhao ◽

Peter T. Cummings ◽

Song Li

Keyword(s):

Ionic Liquids ◽

Molecular Simulation ◽

Simulation Study ◽

Room Temperature ◽

Room Temperature Ionic Liquids ◽

Dynamical Properties

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Capture of CO2 in carbon nanotube bundles supported with room-temperature ionic liquids: A molecular simulation study

Chemical Engineering Science ◽

10.1016/j.ces.2018.07.025 ◽

2018 ◽

Vol 192 ◽

pp. 94-102 ◽

Author(s):

Yongping Zeng ◽

Kai Li ◽

Qingyu Zhu ◽

Jilong Wang ◽

Yanan Cao ◽

...

Keyword(s):

Ionic Liquids ◽

Carbon Nanotube ◽

Molecular Simulation ◽

Simulation Study ◽

Room Temperature ◽

Room Temperature Ionic Liquids ◽

Nanotube Bundles

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Dispersion and Solvation Effects on the Structure and Dynamics of N719 Adsorbed to Anatase Titania (101) Surfaces in Room-Temperature Ionic Liquids: An ab Initio Molecular Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b08964 ◽

2015 ◽

Vol 120 (1) ◽

pp. 21-30 ◽

Author(s):

Aaron Byrne ◽

Niall J. English ◽

Udo Schwingenschlögl ◽

David F. Coker

Keyword(s):

Ionic Liquids ◽

Ab Initio ◽

Molecular Simulation ◽

Simulation Study ◽

Room Temperature ◽

Room Temperature Ionic Liquids ◽

Solvation Effects ◽

Structure And Dynamics ◽

Anatase Titania

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The Physical Properties of Room Temperature Ionic Liquids Near Electrified Surfaces: A Simulation Study

ECS Meeting Abstracts ◽

10.1149/ma2014-01/24/1059 ◽

2014 ◽

Keyword(s):

Ionic Liquids ◽

Physical Properties ◽

Simulation Study ◽

Room Temperature ◽

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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A molecular dynamics computer simulation study of room-temperature ionic liquids. I. Equilibrium solvation structure and free energetics

The Journal of Chemical Physics ◽

10.1063/1.1819317 ◽

2005 ◽

Vol 122 (4) ◽

pp. 044510 ◽

Author(s):

Y. Shim ◽

M. Y. Choi ◽

Hyung J. Kim

Keyword(s):

Molecular Dynamics ◽

Computer Simulation ◽

Ionic Liquids ◽

Simulation Study ◽

Room Temperature ◽

Room Temperature Ionic Liquids ◽

Computer Simulation Study ◽

Solvation Structure

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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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Phase Behavior of Poly(ethylene oxide) in Room Temperature Ionic Liquids: A Molecular Simulation and Deep Neural Network Study

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c06510 ◽

2020 ◽

Vol 124 (41) ◽

pp. 9230-9238

Author(s):

Hyuntae Jung ◽

Arun Yethiraj

Keyword(s):

Neural Network ◽

Ionic Liquids ◽

Ethylene Oxide ◽

Phase Behavior ◽

Molecular Simulation ◽

Room Temperature ◽

Deep Neural Network ◽

Room Temperature Ionic Liquids ◽

Poly Ethylene Oxide ◽

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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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