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dc.contributor.authorColla, Thiago Escobarpt_BR
dc.contributor.authorLopes, Lucas Nunespt_BR
dc.contributor.authorSantos, Alexandre Pereira dospt_BR
dc.date.accessioned2018-08-18T03:01:38Zpt_BR
dc.date.issued2017pt_BR
dc.identifier.issn0021-9606pt_BR
dc.identifier.urihttp://hdl.handle.net/10183/181167pt_BR
dc.description.abstractIn this paper, we develop a simple theory to study the effects of ionic size on ionic distributions around a charged spherical particle. We include a correction to the regular Poisson-Boltzmann equation in order to take into account the size of ions in a mean-field regime. The results are compared with Monte Carlo simulations and a density functional theory based on the fundamental measure approach and a second-order bulk expansion which accounts for electrostatic correlations. The agreement is very good even for multivalent ions. Our results show that the theory can be applied with very good accuracy in the description of ions with highly effective ionic radii and low concentration, interacting with a colloid or a nanoparticle in an electrolyte solution.en
dc.format.mimetypeapplication/pdfpt_BR
dc.language.isoengpt_BR
dc.relation.ispartofThe journal of chemical physics. New York. Vol. 147, no. 1 (July 2017), 014104, 8 p.pt_BR
dc.rightsOpen Accessen
dc.subjectNanopartículaspt_BR
dc.subjectEquação de Poisson-Boltzmannpt_BR
dc.subjectMétodo de Monte Carlopt_BR
dc.subjectTeoria do funcional de densidadept_BR
dc.titleIonic size effects on the Poisson-Boltzmann theorypt_BR
dc.typeArtigo de periódicopt_BR
dc.identifier.nrb001070177pt_BR
dc.type.originEstrangeiropt_BR


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