Lattice model of an ionic liquid at an electrified interface.

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MetadadosDescriçãoIdioma
Autor(es): dc.creatorGirotto, Matheus-
Autor(es): dc.creatorColla, Thiago Escobar-
Autor(es): dc.creatorSantos, Alexandre Pereira dos-
Autor(es): dc.creatorLevin, Yan-
Data de aceite: dc.date.accessioned2025-08-21T15:51:38Z-
Data de disponibilização: dc.date.available2025-08-21T15:51:38Z-
Data de envio: dc.date.issued2018-10-28-
Data de envio: dc.date.issued2018-10-28-
Data de envio: dc.date.issued2017-
Fonte completa do material: dc.identifierhttp://www.repositorio.ufop.br/handle/123456789/10476-
Fonte completa do material: dc.identifierhttps://pubs.acs.org/doi/abs/10.1021/acs.jpcb.7b02258-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1025990-
Descrição: dc.descriptionWe study ionic liquids interacting with electrified interfaces. The ionic fluid is modeled as a Coulomb lattice gas. We compare the ionic density profiles calculated using a popular modified Poisson–Boltzmann equation with the explicit Monte Carlo simulations. The modified Poisson–Boltzmann theory fails to capture the structural features of the double layer and is also unable to correctly predict the ionic density at the electrified interface. The lattice Monte Carlo simulations qualitatively capture the coarse-grained structure of the double layer in the continuum. We propose a convolution relation that semiquantitatively relates the ionic density profiles of a continuum ionic liquid and its lattice counterpart near an electrified interface.-
Formato: dc.formatapplication/pdf-
Idioma: dc.languageen-
Direitos: dc.rightsrestrito-
Título: dc.titleLattice model of an ionic liquid at an electrified interface.-
Aparece nas coleções:Repositório Institucional - UFOP

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