Electrostatic interactions in charged nanoslits within an explicit solvent theory

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dc.citation.issueNumber45en_US
dc.citation.volumeNumber27en_US
dc.contributor.authorBuyukdagli, S.en_US
dc.date.accessioned2016-02-08T09:34:40Z
dc.date.available2016-02-08T09:34:40Z
dc.date.issued2015en_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractWithin a dipolar Poisson-Boltzmann theory including electrostatic correlations, we consider the effect of explicit solvent structure on solvent and ion partition confined to charged nanopores. We develop a relaxation scheme for the solution of this highly non-linear integro-differential equation for the electrostatic potential. The scheme is an extension of the approach previously introduced for simple planes (Buyukdagli and Blossey 2014 J. Chem. Phys. 140 234903) to nanoslit geometry. We show that the reduced dielectric response of solvent molecules at the membrane walls gives rise to an electric field significantly stronger than the field of the classical Poisson-Boltzmann equation. This peculiarity associated with non-local electrostatic interactions results in turn in an interfacial counterion adsorption layer absent in continuum theories. The observation of this enhanced counterion affinity in the very close vicinity of the interface may have important impacts on nanofluidic transport through charged nanopores. Our results indicate the quantitative inaccuracy of solvent implicit nanofiltration theories in predicting the ionic selectivity of membrane nanopores.en_US
dc.description.provenanceMade available in DSpace on 2016-02-08T09:34:40Z (GMT). No. of bitstreams: 1 bilkent-research-paper.pdf: 70227 bytes, checksum: 26e812c6f5156f83f0e77b261a471b5a (MD5) Previous issue date: 2015en
dc.identifier.doi10.1088/0953-8984/27/45/455101en_US
dc.identifier.eissn1361-648X
dc.identifier.issn0953-8984
dc.identifier.urihttp://hdl.handle.net/11693/20759
dc.language.isoEnglishen_US
dc.publisherInstitute of Physics Publishingen_US
dc.relation.isversionofhttp://dx.doi.org/10.1088/0953-8984/27/45/455101en_US
dc.source.titleJournal of Physics Condensed Matteren_US
dc.subjectCharge correlationsen_US
dc.subjectElectrolytesen_US
dc.subjectSolvent structureen_US
dc.subjectBoltzmann equationen_US
dc.subjectContinuum mechanicsen_US
dc.subjectDifferential equationsen_US
dc.subjectElectric fieldsen_US
dc.subjectElectrolytesen_US
dc.subjectElectrostaticsen_US
dc.subjectIntegrodifferential equationsen_US
dc.subjectIonsen_US
dc.subjectNanoporesen_US
dc.subjectNanostructuresen_US
dc.subjectPoisson equationen_US
dc.subjectCharge correlationen_US
dc.subjectDielectric responseen_US
dc.subjectElectrostatic correlationen_US
dc.subjectElectrostatic potentialsen_US
dc.subjectNon-linear integro-differential equationsen_US
dc.subjectPoisson-Boltzmann equationsen_US
dc.subjectPoisson-Boltzmann theoryen_US
dc.subjectSolvent structuresen_US
dc.subjectSolventsen_US
dc.titleElectrostatic interactions in charged nanoslits within an explicit solvent theoryen_US
dc.typeArticleen_US

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