Molecular-level insights into the structures, dynamics, and hydrogen bonds of ethylammonium nitrate protic ionic liquid at the liquid–vacuum interface

Molecular dynamics simulations have been used to systematically explore the structures, dynamics, and hydrogen bonds of ethylammonium nitrate (EAN) protic ionic liquid and their mutual relationship at the liquid–vacuum interface.

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Concentration-Dependent Hydrogen Bond Behavior of Ethylammonium Nitrate Protic Ionic Liquid–Water Mixtures Explored by Molecular Dynamics Simulations

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.7b00205 ◽

2017 ◽

Vol 62 (8) ◽

pp. 2340-2349 ◽

Cited By ~ 15

Author(s):

Yiping Huang ◽

Zheng Wan ◽

Zhen Yang ◽

Yuanhui Ji ◽

Li Li ◽

...

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Ionic Liquid ◽

Molecular Dynamics Simulations ◽

Liquid Water ◽

Protic Ionic Liquid ◽

Bond Behavior ◽

Ethylammonium Nitrate ◽

Dynamics Simulations

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Molecular dynamics simulations of temperature-dependent structures and dynamics of ethylammonium nitrate protic ionic liquid: The role of hydrogen bond

Chemical Physics ◽

10.1016/j.chemphys.2016.03.020 ◽

2016 ◽

Vol 472 ◽

pp. 105-111 ◽

Cited By ~ 16

Author(s):

Yiping Huang ◽

Guobing Zhou ◽

Yunzhi Li ◽

Zhen Yang ◽

Man Shi ◽

...

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Ionic Liquid ◽

Molecular Dynamics Simulations ◽

Temperature Dependent ◽

Protic Ionic Liquid ◽

Ethylammonium Nitrate ◽

Dynamics Simulations

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Molecular-level insights into composition-dependent structure, dynamics, and hydrogen bonds of binary ionic liquid mixture from molecular dynamics simulations

Chemical Physics ◽

10.1016/j.chemphys.2020.111051 ◽

2020 ◽

pp. 111051

Author(s):

Xueping Wang ◽

Yiping Huang ◽

Li Li ◽

Liangliang Huang ◽

Xiangshu Chen ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Hydrogen Bonds ◽

Molecular Dynamics Simulations ◽

Molecular Level ◽

Liquid Mixture ◽

Structure Dynamics ◽

Dynamics Simulations

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Liquid Structure and the Ion-Ion Interactions of Ethylammonium Nitrate Ionic Liquid Studied by Large Angle X-Ray Scattering and Molecular Dynamics Simulations

Journal of Computer Chemistry Japan ◽

10.2477/jccj.h2013 ◽

2008 ◽

Vol 7 (4) ◽

pp. 125-134 ◽

Cited By ~ 82

Author(s):

Yasuhiro UMEBAYASHI ◽

Wan-Lin CHUNG ◽

Takushi MITSUGI ◽

Shuhei FUKUDA ◽

Munetaka TAKEUCHI ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulations ◽

Large Angle ◽

Liquid Structure ◽

X Ray ◽

Ion Interactions ◽

X Ray Scattering ◽

Ethylammonium Nitrate ◽

Dynamics Simulations

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Density Functional Computations and Molecular Dynamics Simulations of the Triethylammonium Triflate Protic Ionic Liquid

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.7b10373 ◽

2017 ◽

Vol 121 (50) ◽

pp. 11410-11423 ◽

Cited By ~ 6

Author(s):

Juan F. Mora Cardozo ◽

T. Burankova ◽

J. P. Embs ◽

A. Benedetto ◽

P. Ballone

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulations ◽

Density Functional ◽

Protic Ionic Liquid ◽

Dynamics Simulations ◽

Density Functional Computations

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Structure and Transport Properties of Lithium-Doped Aprotic and Protic Ionic Liquid Electrolytes: Insights from Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.9b04477 ◽

2019 ◽

Vol 123 (26) ◽

pp. 5588-5600 ◽

Cited By ~ 4

Author(s):

Amir Taghavi Nasrabadi ◽

Venkat Ganesan

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulations ◽

Transport Properties ◽

Protic Ionic Liquid ◽

Liquid Electrolytes ◽

Dynamics Simulations

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Probing the tricationic ionic liquid/vacuum interface: insights from molecular dynamics simulations

Physical Chemistry Chemical Physics ◽

10.1039/c8cp02471e ◽

2018 ◽

Vol 20 (20) ◽

pp. 14251-14263 ◽

Cited By ~ 6

Author(s):

Elaheh Sedghamiz ◽

Majid Moosavi

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Molecular Dynamics Simulations ◽

Dynamics Simulation ◽

Vacuum Interface ◽

The Common ◽

Dynamics Simulations ◽

Common Anion

The surface properties of three symmetric linear tricationic ionic liquids (LTILs) with the common anion, bis(trifluoromethylsulfonyl)imide ([NTf2]−), were studied using atomistic molecular dynamics simulation and identification of the truly interfacial molecules (ITIM) analysis.

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Molecular dynamics simulations of mixtures of protic and aprotic ionic liquids

Physical Chemistry Chemical Physics ◽

10.1039/c6cp03700c ◽

2016 ◽

Vol 18 (34) ◽

pp. 23932-23943 ◽

Cited By ~ 17

Author(s):

Borja Docampo-Álvarez ◽

Víctor Gómez-González ◽

Trinidad Méndez-Morales ◽

Julio R. Rodríguez ◽

Elena López-Lago ◽

...

Keyword(s):

Molecular Dynamics ◽

Electrical Conductivity ◽

Ionic Liquid ◽

Ionic Liquids ◽

Molecular Dynamics Simulations ◽

Conductivity Measurements ◽

Protic Ionic Liquid ◽

Dynamics Simulations ◽

Experimental Density

Molecular dynamics simulations of mixtures of the protic ionic liquid EAN and the aprotic [EMIM][BF4] are reported and the results are compared with experimental density and electrical conductivity measurements.

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