Modeling hydration-mediated ion-ion interactions in electrolytes through oscillating Yukawa potentials

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Autor(es): dc.contributorNorth Dakota State Univ-
Autor(es): dc.contributorUniversidade Estadual Paulista (Unesp)-
Autor(es): dc.creatorSpaight, John-
Autor(es): dc.creatorDowning, Rachel-
Autor(es): dc.creatorMay, Sylvio-
Autor(es): dc.creatorCarvalho, Sidney J. de [UNESP]-
Autor(es): dc.creatorBossa, Guilherme Volpe [UNESP]-
Data de aceite: dc.date.accessioned2022-02-22T00:10:40Z-
Data de disponibilização: dc.date.available2022-02-22T00:10:40Z-
Data de envio: dc.date.issued2020-12-09-
Data de envio: dc.date.issued2020-12-09-
Data de envio: dc.date.issued2020-05-08-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1103/PhysRevE.101.052603-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/196864-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/196864-
Descrição: dc.descriptionClassical Poisson-Boltzmann theory represents a mean-field description of the electric double layer in the presence of only Coulomb interactions. However, aqueous solvents hydrate ions, which gives rise to additional hydration-mediated ion-ion interactions. Experimental and computational studies suggest damped oscillations to be a characteristic feature of these hydration-mediated interactions. We have therefore incorporated oscillating Yukawa potentials into the mean-field description of the electric double layer. This is accomplished by allowing the decay length of the Yukawa potential to be complex valued. Ion specificity emerges from assigning individual strengths and phases to the Yukawa potential for anion-anion, anion-cation, and cation-cation pairs as well as for anions and cations interacting with an electrode or macroion. Excluded volume interactions between ions are approximated by replacing the ideal gas entropy by that of a lattice gas. We derive mean-field equations for the Coulomb and Yukawa potentials and use their solutions to compute the differential capacitance for an isolated planar electrode and the pressure that acts between two planar, like-charged macroion surfaces. Attractive interactions appear if the surface charge density of the macroions is sufficiently small.-
Descrição: dc.descriptionNorth Dakota Space Grant Consortium-
Descrição: dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)-
Descrição: dc.descriptionND EPSCoR-
Descrição: dc.descriptionNorth Dakota State Univ, Dept Phys, Fargo, ND 58108 USA-
Descrição: dc.descriptionSao Paulo State Univ, Dept Phys, Inst Biosci Humanities & Exact Sci, Sao Jose Do Rio Preto, SP, Brazil-
Descrição: dc.descriptionSao Paulo State Univ, Dept Phys, Inst Biosci Humanities & Exact Sci, Sao Jose Do Rio Preto, SP, Brazil-
Descrição: dc.descriptionFAPESP: 2018/01841-2-
Descrição: dc.descriptionFAPESP: 2017/21772-2-
Formato: dc.format12-
Idioma: dc.languageen-
Publicador: dc.publisherAmer Physical Soc-
Relação: dc.relationPhysical Review E-
???dc.source???: dc.sourceWeb of Science-
Título: dc.titleModeling hydration-mediated ion-ion interactions in electrolytes through oscillating Yukawa potentials-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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