Implementation of soft computing approaches for prediction of physicochemical properties of ionic liquid mixtures

2016 ◽  
Vol 34 (2) ◽  
pp. 425-439 ◽  
Author(s):  
Saeid Atashrouz ◽  
Hamed Mirshekar ◽  
Abdolhossein Hemmati-Sarapardeh ◽  
Mostafa Keshavarz Moraveji ◽  
Bahram Nasernejad
Keyword(s):  
Ionic Liquid ◽  
Physicochemical Properties ◽  
Soft Computing ◽  
Liquid Mixtures

scholarly journals Linking the structures, free volumes, and properties of ionic liquid mixtures

2017 ◽  
Vol 8 (9) ◽  
pp. 6359-6374 ◽  
Author(s):  
Nicholas J. Brooks ◽  
Franca Castiglione ◽  
Cara M. Doherty ◽  
Andrew Dolan ◽  
Anita J. Hill ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Physicochemical Properties ◽  
Free Volume ◽  
Liquid Mixtures ◽  
The Relationship

SAXS, 129Xe NMR and PALS were used to interrogate the relationship between the structure, free volume and physicochemical properties of ionic liquid mixtures.

Physicochemical Properties of Polyaniline–Ionic Liquid Mixtures and Their Application in Dye-Sensitized Solar Cells

2015 ◽  
Vol 7 (12) ◽  
pp. 2583-2595 ◽  
Author(s):  
Pankaj Attri ◽  
Dae Hoon Park ◽  
Seung-Hyun Lee ◽  
Young Sun Kim ◽  
Young Beom Kim ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Solar Cells ◽  
Physicochemical Properties ◽  
Dye Sensitized Solar Cells ◽  
Liquid Mixtures ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

WITHDRAWN: Ionic liquid mixtures with tunable physicochemical properties

2014 ◽  
Author(s):  
J. Serra Moreno ◽  
S. Jeremias ◽  
A. Moretti ◽  
S. Panero ◽  
S. Passerini ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Physicochemical Properties ◽  
Liquid Mixtures

Ionic liquid mixtures with tunable physicochemical properties

2015 ◽  
Vol 151 ◽  
pp. 599-608 ◽  
Author(s):  
J. Serra Moreno ◽  
S. Jeremias ◽  
A. Moretti ◽  
S. Panero ◽  
S. Passerini ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Physicochemical Properties ◽  
Liquid Mixtures

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...

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