Disclosing the hierarchical structure of ionic liquid mixtures by multiscale computational methods

2021 ◽  
pp. 1-67
Author(s):  
Alessandro Mariani ◽  
Leon Engelbrecht ◽  
Andrea Le Donne ◽  
Francesca Mocci ◽  
Enrico Bodo ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Computational Methods ◽  
Hierarchical Structure ◽  
Liquid Mixtures ◽  
The Hierarchical Structure

Structural origin of proton mobility in a protic ionic liquid/imidazole mixture: insights from computational and experimental results

2016 ◽  
Vol 18 (33) ◽  
pp. 23195-23206 ◽  
Author(s):  
Negin Yaghini ◽  
Víctor Gómez-González ◽  
Luis M. Varela ◽  
Anna Martinelli
Keyword(s):  
Ionic Liquid ◽  
Computational Methods ◽  
Proton Transport ◽  
Liquid Mixtures ◽  
Experimental Results ◽  
Protic Ionic Liquid ◽  
Proton Mobility ◽  
Grotthuss Mechanism

The contribution of the Grotthuss mechanism of proton transport is investigated in imidazole/C2HImTFSI liquid mixtures by means of experimental and computational methods.

Parafia unicka w Rachaniach do 1811 roku/ The Uniate Parish in Rachanie until 1811

2012 ◽  
Vol 67 (2) ◽  
Author(s):  
Janusz Adam Frykowski
Keyword(s):  
Hierarchical Structure ◽  
Geographical Location ◽  
Historical Sources ◽  
Holy Communion ◽  
The Hierarchical Structure ◽  
History Of ◽  
The Church ◽  
Ancillary Equipment

AbstractThe following paper depicts the history of Saint Simeon Stylites Uniate Parish in Rachanie since it became known in historical sources until 1811- that is the time it ceased to be an independent church unit. The introduction of the article contains the geographical location of the parish, its size and the position within the hierarchical structure of the Church. Having analysed post-visit inspection protocols left by Chelm Bishops, the appearance as well as fittings and ancillary equipment of the church in Rachanie in that particular period are reported. Moreover, the list of 4 local clergymen is recreated and their benefice is determined. As far as possible, both the number of worshipers and the number of Holy Communion receivers is determined.

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>

Default Logic Models of Certain Inheritance Systems with Exceptions

1993 ◽  
Vol 18 (2-4) ◽  
pp. 129-149
Author(s):  
Serge Garlatti
Keyword(s):  
Hierarchical Structure ◽  
Formal Semantics ◽  
Sufficient Conditions ◽  
Nonmonotonic Reasoning ◽  
Default Logic ◽  
Representation Systems ◽  
The Hierarchical Structure ◽  
Necessary And Sufficient ◽  
Structure Of Knowledge ◽  
Made In

Representation systems based on inheritance networks are founded on the hierarchical structure of knowledge. Such representation is composed of a set of objects and a set of is-a links between nodes. Objects are generally defined by means of a set of properties. An inheritance mechanism enables us to share properties across the hierarchy, called an inheritance graph. It is often difficult, even impossible to define classes by means of a set of necessary and sufficient conditions. For this reason, exceptions must be allowed and they induce nonmonotonic reasoning. Many researchers have used default logic to give them formal semantics and to define sound inferences. In this paper, we propose a survey of the different models of nonmonotonic inheritance systems by means of default logic. A comparison between default theories and inheritance mechanisms is made. In conclusion, the ability of default logic to take some inheritance mechanisms into account is discussed.

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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