Thermodynamic properties of deep eutectic solvent and ionic liquid mixtures at temperatures from 293.15 K to 343.15 K

Author(s):  
R. S. Achsah ◽  
S. Shyam ◽  
N. Mayuri ◽  
R. Anantharaj
ChemInform ◽  
2006 ◽  
Vol 37 (1) ◽  
Author(s):  
L. P. N. Rebelo ◽  
V. Najdanovic-Visak ◽  
R. Gomes de Azevedo ◽  
J. M. S. S. Esperanca ◽  
M. Nunes da Ponte ◽  
...  

Molecules ◽  
2019 ◽  
Vol 24 (20) ◽  
pp. 3687 ◽  
Author(s):  
Dinis O. Abranches ◽  
Nicolas Schaeffer ◽  
Liliana P. Silva ◽  
Mónia A. R. Martins ◽  
Simão P. Pinho ◽  
...  

It was recently shown that tetramethylammonium chloride presented negative deviations to ideality when mixed with tetraethylammonium chloride or tetrapropylammonium chloride, leading to a strong decrease of the melting points of these salt mixtures, in a behavior akin to that observed in the formation of deep eutectic solvents. To better rationalize this unexpected melting point depression between two structurally similar compounds devoid of dominant hydrogen bonding capability, new solid–liquid equilibria data for tetramethylammonium-based systems were measured and analyzed in this work. Molecular dynamics was used to show that the strong negative deviations from ideality presented by these systems arise from a synergetic share of the chloride ions. A transfer of chloride ions seems to occur from the bigger cation in the mixture (which possesses a more disperse charge) to the smaller cation (tetramethylammonium), resembling the formation of metal–chloride complexes in type I deep eutectic solvents. This rearrangement of the charged species leads to an energetic stabilization of both components in the mixture, inducing the negative deviations to the ideality observed. The conclusions presented herein emphasize the often-neglected contribution of charge delocalization in deep eutectic solvents formation and its applicability toward the design of new ionic liquid mixtures.


Author(s):  
Nicola Molinari ◽  
Jonathan P. Mailoa ◽  
Boris Kozinsky

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>


2021 ◽  
Author(s):  
Yun Wang ◽  
Hong Cheng ◽  
Jia-Rui He ◽  
Qiao-Xia Yao ◽  
Li-Ling Li ◽  
...  

Author(s):  
Daniel C Morris ◽  
Stuart W Prescott ◽  
Jason B Harper

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...


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