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dc.contributor.author
Messias Da Silva, Andresa
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dc.contributor.author
da Silva, Débora A. C.
dc.contributor.author
Fileti, Eudes E.
dc.date.available
2023-08-24T14:46:33Z
dc.date.issued
2022-01
dc.identifier.citation
Messias Da Silva, Andresa; da Silva, Débora A. C.; Fileti, Eudes E.; Salt-in-water and water-in-salt electrolytes: The effects of the asymmetry in cation and anion valence on their properties; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 24; 1; 1-2022; 336-346
dc.identifier.issn
1463-9076
dc.identifier.uri
http://hdl.handle.net/11336/209275
dc.description.abstract
We investigated the structural, dynamic, energetic, and electrostatic properties of electrolytes based on the ion pairs LiCl and Li2SO4. Atomistic molecular dynamics simulations were used to simulate these aqueous electrolytic solutions at two different concentrations 2 M (normal) and 21 M (superconcentrated, WiSE). The effects of the valence asymmetry of the Li2SO4electrolyte were also discussed for both salt concentrations. Our results differ in the physical aspect of pure electrolytes, showing the drastic effect of high concentration, in particular on the viscosity, which is dramatically increased in WiSE. This is a consequence of their reduced ionic mobility and has a direct effect on ionic conductivity. Also, our results for graphene-based supercapacitors, as indicated by some experimental work, do not indicate any better performance of WiSEs over normal electrolytes. In fact, the differences in the total capacitance, due to the concentration of ions, presented by both electrolytes are negligible. The valence asymmetry can be clearly observed in some properties but for most of them its effects could not be quantified or isolated.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry
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dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
electrolytes
dc.subject
energy storage
dc.subject
supercapacitor
dc.subject
water-in-salt
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
Salt-in-water and water-in-salt electrolytes: The effects of the asymmetry in cation and anion valence on their properties
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2023-07-10T11:27:29Z
dc.journal.volume
24
dc.journal.number
1
dc.journal.pagination
336-346
dc.journal.pais
Reino Unido
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dc.description.fil
Fil: Messias Da Silva, Andresa. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
dc.description.fil
Fil: da Silva, Débora A. C.. Universidade Estadual de Campinas; Brasil
dc.description.fil
Fil: Fileti, Eudes E.. Universidade de Sao Paulo; Brasil
dc.journal.title
Physical Chemistry Chemical Physics
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/d1cp04259a
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