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dc.contributor.authorDe Carvalho, Sidney Jurado [UNESP]
dc.contributor.authorCaetano, Daniel Lucas Zago [UNESP]
dc.date.accessioned2014-05-27T11:29:47Z
dc.date.available2014-05-27T11:29:47Z
dc.date.issued2013-06-28
dc.identifierhttp://dx.doi.org/10.1063/1.4811842
dc.identifier.citationJournal of Chemical Physics, v. 138, n. 24, 2013.
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/11449/75725
dc.description.abstractIn this work we investigate the adsorption of polyelectrolyte chains onto uniformly charged cylindrical macroions by means of the Metropolis Monte Carlo simulations and weighted histogram analysis method. Adopting a simplified model for macromolecules and treating the electrolytic solution in the Debye-Hückel level, conformational properties of the adsorbed chain, such as the radius of gyration and the thickness of the adsorbed layer, are provided as a function of ionic strength and macroion charge density. By analysis of the free energy profile as a function of the radius of gyration it was possible to identify first-order-like transitions between adsorbed and desorbed states and obtain a macroion charge density dependence of the critical ionic strength in good agreement with experiments. © 2013 AIP Publishing LLC.en
dc.language.isoeng
dc.relation.ispartofJournal of Chemical Physics
dc.sourceScopus
dc.subjectConformational properties
dc.subjectDensity dependence
dc.subjectElectrolytic solution
dc.subjectMacroion charges
dc.subjectMetropolis Monte Carlo simulations
dc.subjectPolyelectrolyte chain
dc.subjectRadius of gyration
dc.subjectWeighted histogram analysis method
dc.subjectIonic strength
dc.subjectMonte Carlo methods
dc.subjectPolyelectrolytes
dc.subjectAdsorption
dc.titleAdsorption of polyelectrolytes onto oppositely charged cylindrical macroionsen
dc.typeArtigo
dcterms.licensehttp://publishing.aip.org/authors/web-posting-guidelines
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.description.affiliationDepartamento de Física Instituto de Biociências, Letras e Ciências Exatas Universidade Estadual Paulista (UNESP), Rua Cristovão Colombo 2265, Jd.-Nazareth 15054-000, Sao Jose do Rio Preto, Sao Paulo
dc.description.affiliationUnespDepartamento de Física Instituto de Biociências, Letras e Ciências Exatas Universidade Estadual Paulista (UNESP), Rua Cristovão Colombo 2265, Jd.-Nazareth 15054-000, Sao Jose do Rio Preto, Sao Paulo
dc.identifier.doi10.1063/1.4811842
dc.identifier.wosWOS:000321148200057
dc.rights.accessRightsAcesso restrito
dc.identifier.scopus2-s2.0-84879924684
unesp.campusUniversidade Estadual Paulista (Unesp), Instituto de Biociências Letras e Ciências Exatas, São José do Rio Pretopt
unesp.author.orcid0000-0002-9763-2797[1]
unesp.author.orcid0000-0002-0476-3115[2]
dc.relation.ispartofjcr2.843
dc.relation.ispartofsjr1,252
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