Effect of dielectric discontinuity on a spherical polyelectrolyte brush

dc.contributor.author	Tergolina, Vinicius Beltram	pt_BR
dc.contributor.author	Santos, Alexandre Pereira dos	pt_BR
dc.date.accessioned	2018-11-17T03:12:06Z	pt_BR
dc.date.issued	2017	pt_BR
dc.identifier.issn	0021-9606	pt_BR
dc.identifier.uri	http://hdl.handle.net/10183/184766	pt_BR
dc.description.abstract	In this paper we perform molecular dynamics simulations of a spherical polyelectrolyte brush and counterions in a salt-free medium. The dielectric discontinuity on the grafted nanoparticle surface is taken into account by the method of image charges. Properties of the polyelectrolyte brush are obtained for different parameters, including valency of the counterions, radius of the nanoparticle, and the brush total charge. The monovalent counterions density profiles are obtained and compared with a simple mean-field theoretical approach. The theory allows us to obtain osmotic properties of the system.	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. 11 (Sept. 2017), 114103, 6 p.	pt_BR
dc.rights	Open Access	en
dc.subject	Dinâmica molecular	pt_BR
dc.subject	Equação de Poisson-Boltzmann	pt_BR
dc.subject	Nanopartículas	pt_BR
dc.subject	Polieletrólitos	pt_BR
dc.title	Effect of dielectric discontinuity on a spherical polyelectrolyte brush	pt_BR
dc.type	Artigo de periódico	pt_BR
dc.identifier.nrb	001070182	pt_BR
dc.type.origin	Estrangeiro	pt_BR

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