Charge Environment and Hydrogen Bond Dynamics in Binary Ionic Liquid Mixtures: A Computational Study

2018 ◽  
Vol 9 (12) ◽  
pp. 3511-3516 ◽  
Author(s):  
Nikhil V. S. Avula ◽  
Anirban Mondal ◽  
Sundaram Balasubramanian
Keyword(s):  
Hydrogen Bond ◽  
Ionic Liquid ◽  
Computational Study ◽  
Liquid Mixtures ◽  
Hydrogen Bond Dynamics

Hydrogen-Bond Dynamics in a Protic Ionic Liquid: Evidence of Large-Angle Jumps

2012 ◽  
Vol 3 (20) ◽  
pp. 3034-3038 ◽  
Author(s):  
Johannes Hunger ◽  
Thomas Sonnleitner ◽  
Liyuan Liu ◽  
Richard Buchner ◽  
Mischa Bonn ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Ionic Liquid ◽  
Large Angle ◽  
Protic Ionic Liquid ◽  
Hydrogen Bond Dynamics

General Trend of Negative Transference Number in Li Salt/Ionic Liquid Mixtures

2019 ◽  
Author(s):  
Nicola Molinari ◽  
Jonathan P. Mailoa ◽  
Boris Kozinsky
Keyword(s):  
Ionic Liquid ◽  
Transference Number ◽  
Liquid Mixtures ◽  
Single Linkage ◽  
Self Diffusion ◽  
Wide Range ◽  
Single Linkage Cluster ◽  
Concentrated Solution ◽  
The One ◽  
Dynamics Simulations

We show that strong cation-anion interactions in a wide range of lithium-salt/ionic liquid mixtures result in a negative lithium transference number, using molecular dynamics simulations and rigorous concentrated solution theory. This behavior fundamentally deviates from the one obtained using self-diffusion coefficient analysis and agrees well with experimental electrophoretic NMR measurements, which accounts for ion correlations. We extend these findings to several ionic liquid compositions. We investigate the degree of spatial ionic coordination employing single-linkage cluster analysis, unveiling asymmetrical anion-cation clusters. Additionally, we formulate a way to compute the effective lithium charge that corresponds to and agrees well with electrophoretic measurements and show that lithium effectively carries a negative charge in a remarkably wide range of chemistries and concentrations. The generality of our observation has significant implications for the energy storage community, emphasizing the need to reconsider the potential of these systems as next generation battery electrolytes.<br>

Rapid relaxation NMR measurements to predict rate coefficients in ionic liquid mixtures. An examination of reaction outcome changes in a homologous series of ionic liquids

2021 ◽  
Author(s):  
Daniel C Morris ◽  
Stuart W Prescott ◽  
Jason B Harper
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Homologous Series ◽  
Rate Coefficient ◽  
Liquid Mixtures ◽  
Solvent Mixture ◽  
Rate Coefficients ◽  
Substitution Process

A series of ionic liquids based on the 1-alkyl-3-methylimidazolium cations were examined as components of the solvent mixture for a bimolecular substitution process. The effects on both the rate coefficient...

Hydrogen bond donor functionalized poly(ionic liquid)s for efficient synergistic conversion of CO2 to cyclic carbonates

2020 ◽  
Author(s):  
Haibin Gou ◽  
Xifei Ma ◽  
Qian Su ◽  
Lei Liu ◽  
Ting Ying ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Ionic Liquid ◽  
Value Added ◽  
Pivotal Role ◽  
Cyclic Carbonates ◽  
Hydrogen Bond Donor ◽  
Metal Free ◽  
Recyclable Catalysts ◽  
Poly Ionic Liquid ◽  
Value Added Products

The development of metal-free, high effective and recyclable catalysts plays a pivotal role in transforming CO2 into high value-added products such as cyclic carbonates. In this paper, we have introduced...

Eutectic ionic liquid mixtures and their effect on CO2 solubility and conductivity

RSC Advances ◽  
2015 ◽  
Vol 5 (63) ◽  
pp. 51407-51412 ◽  
Author(s):  
Anna S. Ivanova ◽  
Thomas Brinzer ◽  
Elliot A. Roth ◽  
Victor A. Kusuma ◽  
John D. Watkins ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Binary System ◽  
Liquid Mixtures ◽  
Short Chain ◽  
Co2 Solubility

A simple binary system of compounds resembling short-chain versions of popular ionic liquids has been shown to have alloying properties.

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