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dc.contributor.authorSantos, Alexandre Pereira dospt_BR
dc.contributor.authorLevin, Yanpt_BR
dc.date.accessioned2020-02-06T04:17:15Zpt_BR
dc.date.issued2015pt_BR
dc.identifier.issn0021-9606pt_BR
dc.identifier.urihttp://hdl.handle.net/10183/205474pt_BR
dc.description.abstractWe present a simulation method to study electrolyte solutions in a dielectric slab geometry using a modified 3D Ewald summation. The method is fast and easy to implement, allowing us to rapidly resum an infinite series of image charges. In the weak coupling limit, we also develop a mean-field theory which allows us to predict the ionic distribution between the dielectric charged plates. The agreement between both approaches, theoretical and simulational, is very good, validating both methods. Examples of ionic density profiles in the strong electrostatic coupling limit are also presented. Finally, we explore the confinement of charge asymmetric electrolytes between neutral surfaces.en
dc.format.mimetypeapplication/pdfpt_BR
dc.language.isoengpt_BR
dc.relation.ispartofThe journal of chemical physics. New York. Vol. 142, no. 19 (May 2015), 194104, 7 p.pt_BR
dc.rightsOpen Accessen
dc.subjectEletrólitospt_BR
dc.subjectEletrostáticapt_BR
dc.titleElectrolytes between dielectric charged surfaces : simulations and theorypt_BR
dc.typeArtigo de periódicopt_BR
dc.identifier.nrb000983057pt_BR
dc.type.originEstrangeiropt_BR


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