Ionic size effects on the Poisson-Boltzmann theory
dc.contributor.author | Colla, Thiago Escobar | pt_BR |
dc.contributor.author | Lopes, Lucas Nunes | pt_BR |
dc.contributor.author | Santos, Alexandre Pereira dos | pt_BR |
dc.date.accessioned | 2018-08-18T03:01:38Z | pt_BR |
dc.date.issued | 2017 | pt_BR |
dc.identifier.issn | 0021-9606 | pt_BR |
dc.identifier.uri | http://hdl.handle.net/10183/181167 | pt_BR |
dc.description.abstract | In 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.mimetype | application/pdf | pt_BR |
dc.language.iso | eng | pt_BR |
dc.relation.ispartof | The journal of chemical physics. New York. Vol. 147, no. 1 (July 2017), 014104, 8 p. | pt_BR |
dc.rights | Open Access | en |
dc.subject | Nanopartículas | pt_BR |
dc.subject | Equação de Poisson-Boltzmann | pt_BR |
dc.subject | Método de Monte Carlo | pt_BR |
dc.subject | Teoria do funcional de densidade | pt_BR |
dc.title | Ionic size effects on the Poisson-Boltzmann theory | pt_BR |
dc.type | Artigo de periódico | pt_BR |
dc.identifier.nrb | 001070177 | pt_BR |
dc.type.origin | Estrangeiro | pt_BR |
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