Origin of the Low-Viscosity of [emim][(FSO2)2N] Ionic Liquid and Its Lithium Salt Mixture: Experimental and Theoretical Study of Self-Diffusion Coefficients, Conductivities, and Intermolecular Interactions

2010 ◽  
Vol 114 (49) ◽  
pp. 16329-16336 ◽  
Author(s):  
Seiji Tsuzuki ◽  
Kikuko Hayamizu ◽  
Shiro Seki
Keyword(s):  
Ionic Liquid ◽  
Intermolecular Interactions ◽  
Diffusion Coefficients ◽  
Theoretical Study ◽  
Lithium Salt ◽  
Salt Mixture ◽  
Self Diffusion ◽  
Low Viscosity

Self-diffusion, velocity cross-correlation, distinct diffusion and resistance coefficients of the ionic liquid [BMIM][Tf2N] at high pressure

2015 ◽  
Vol 17 (37) ◽  
pp. 23977-23993 ◽  
Author(s):  
Kenneth R. Harris ◽  
Mitsuhiro Kanakubo
Keyword(s):  
High Pressure ◽  
Ionic Liquid ◽  
Transport Properties ◽  
Diffusion Coefficients ◽  
Cross Correlation ◽  
Diffusion Velocity ◽  
Self Diffusion ◽  
Scaling Parameters ◽  
Resistance Coefficients ◽  
Viscosity Dependence

Distinct diffusion coefficients for 1-alkyl-3-imidazolium [Tf2N] salts show very similar viscosity dependence; thermodynamic scaling parameters for the reduced transport properties are equal.

Effect of CO2 dissolution on electrical conductivity and self-diffusion coefficients of 1-butyl-3-methylimidazolium hexafluorophosphate ionic liquid

2013 ◽  
Vol 357 ◽  
pp. 76-79 ◽  
Author(s):  
Tatsuya Umecky ◽  
Mitsuhiro Kanakubo ◽  
Takashi Makino ◽  
Takafumi Aizawa ◽  
Akira Suzuki
Keyword(s):  
Electrical Conductivity ◽  
Ionic Liquid ◽  
Diffusion Coefficients ◽  
Self Diffusion

Proton Conducting Ionic Liquid Organization as Probed by NMR:  Self-Diffusion Coefficients and Heteronuclear Correlations

2008 ◽  
Vol 112 (12) ◽  
pp. 3680-3683 ◽  
Author(s):  
Patrick Judeinstein ◽  
Cristina Iojoiu ◽  
Jean-Yves Sanchez ◽  
Bernard Ancian
Keyword(s):  
Ionic Liquid ◽  
Diffusion Coefficients ◽  
Proton Conducting ◽  
Self Diffusion

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>

scholarly journals Theoretical Modelling of Ion Exchange Processes in Glass: Advances and Challenges

2021 ◽  
Vol 11 (11) ◽  
pp. 5070
Author(s):  
Xesús Prieto-Blanco ◽  
Carlos Montero-Orille
Keyword(s):  
Ion Exchange ◽  
Diffusion Coefficients ◽  
Molten Salts ◽  
Theoretical Modelling ◽  
Copper Films ◽  
Theoretical Frameworks ◽  
Self Diffusion ◽  
Exchange Processes ◽  
The One ◽  
Made In

In the last few years, some advances have been made in the theoretical modelling of ion exchange processes in glass. On the one hand, the equations that describe the evolution of the cation concentration were rewritten in a more rigorous manner. This was made into two theoretical frameworks. In the first one, the self-diffusion coefficients were assumed to be constant, whereas, in the second one, a more realistic cation behaviour was considered by taking into account the so-called mixed ion effect. Along with these equations, the boundary conditions for the usual ion exchange processes from molten salts, silver and copper films and metallic cathodes were accordingly established. On the other hand, the modelling of some ion exchange processes that have attracted a great deal of attention in recent years, including glass poling, electro-diffusion of multivalent metals and the formation/dissolution of silver nanoparticles, has been addressed. In such processes, the usual approximations that are made in ion exchange modelling are not always valid. An overview of the progress made and the remaining challenges in the modelling of these unique processes is provided at the end of this review.

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