Transport properties of room-temperature ionic liquids from classical molecular dynamics

The Journal of Chemical Physics ◽

10.1063/1.4737388 ◽

2012 ◽

Vol 137 (4) ◽

pp. 044508 ◽

Author(s):

Oliviero Andreussi ◽

Nicola Marzari

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Transport Properties ◽

Room Temperature ◽

Room Temperature Ionic Liquids ◽

Classical Molecular Dynamics

Download Full-text

A Molecular Dynamics Study of Collective Transport Properties of Imidazolium-Based Room-Temperature Ionic Liquids

Journal of Chemical & Engineering Data ◽

10.1021/je500132u ◽

2014 ◽

Vol 59 (10) ◽

pp. 3061-3068 ◽

Author(s):

Anirban Mondal ◽

Sundaram Balasubramanian

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Transport Properties ◽

Room Temperature ◽

Room Temperature Ionic Liquids ◽

Collective Transport

Download Full-text

Molecular Dynamics Simulations of Equilibrium and Transport Properties of Amino Acid-Based Room Temperature Ionic Liquids

The Journal of Physical Chemistry B ◽

10.1021/jp808882s ◽

2009 ◽

Vol 113 (23) ◽

pp. 8103-8113 ◽

Author(s):

Andrew Sirjoosingh ◽

Saman Alavi ◽

Tom K. Woo

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulations ◽

Transport Properties ◽

Room Temperature ◽

Room Temperature Ionic Liquids ◽

Dynamics Simulations

Download Full-text

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

Download Full-text

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 ◽

Download Full-text

Physical and Transport Properties of Bis(trifluoromethylsulfonyl)imide-Based Room-Temperature Ionic Liquids: Application to the Diffusion of Tris(2,2[sup ʹ]-bipyridyl)ruthenium(II)

Journal of The Electrochemical Society ◽

10.1149/1.3505006 ◽

2011 ◽

Vol 158 (1) ◽

pp. F1 ◽

Author(s):

Yunfeng Pan ◽

Laura E. Boyd ◽

Joan F. Kruplak ◽

Walter E. Cleland ◽

John S. Wilkes ◽

...

Keyword(s):

Ionic Liquids ◽

Transport Properties ◽

Room Temperature ◽

Room Temperature Ionic Liquids

Download Full-text

Static and Transport Properties of Alkyltrimethylammonium Cation-Based Room-Temperature Ionic Liquids

The Journal of Physical Chemistry B ◽

10.1021/jp500123q ◽

2014 ◽

Vol 118 (17) ◽

pp. 4590-4599 ◽

Author(s):

Shiro Seki ◽

Seiji Tsuzuki ◽

Kikuko Hayamizu ◽

Nobuyuki Serizawa ◽

Shimpei Ono ◽

...

Keyword(s):

Ionic Liquids ◽

Transport Properties ◽

Room Temperature ◽

Room Temperature Ionic Liquids

Download Full-text

Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations

Chemistry of Materials ◽

10.1021/cm200679y ◽

2011 ◽

Vol 23 (11) ◽

pp. 2979-2986 ◽

Author(s):

Shyue Ping Ong ◽

Oliviero Andreussi ◽

Yabi Wu ◽

Nicola Marzari ◽

Gerbrand Ceder

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Ionic Liquids ◽

Density Functional ◽

Room Temperature ◽

Density Functional Theory Calculations ◽

Room Temperature Ionic Liquids ◽

Functional Theory

Download Full-text

Room-Temperature Ionic Liquids Interacting with a Phospholipid Bilayer: A Comprehensive Neutron Scattering and Molecular Dynamics Study

Biophysical Journal ◽

10.1016/j.bpj.2013.11.2792 ◽

2014 ◽

Vol 106 (2) ◽

pp. 499a

Author(s):

Antonio Benedetto ◽

Miguel A. Gonzalez ◽

Pietro Ballone

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Neutron Scattering ◽

Room Temperature ◽

Phospholipid Bilayer ◽

Room Temperature Ionic Liquids

Download Full-text

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

Download Full-text

Molecular Dynamics Study of Polarity in Room-Temperature Ionic Liquids

The Journal of Physical Chemistry B ◽

10.1021/jp035891m ◽

2004 ◽

Vol 108 (3) ◽

pp. 1072-1079 ◽

Author(s):

Vasiliy Znamenskiy ◽

Mark N. Kobrak

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Room Temperature ◽

Room Temperature Ionic Liquids

Download Full-text