A close look into the excluded volume effects within a double layer

Detalhes bibliográficos
Autor(a) principal: Frydel, Derek
Data de Publicação: 2012
Outros Autores: Levin, Yan
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFRGS
Texto Completo: http://hdl.handle.net/10183/205121
Resumo: We explore the effect of steric interaction on the ionic density distribution near a charged hard wall. For weakly charged walls, small particles, and monovalent ions, the mean-field Poisson-Boltzmann equation provides an excellent description of the density profiles. For large ions and large surface charges, however, deviations appear. To explore these, we use the density functional theory. We find that local density functionals are not able to account for steric interactions near a wall. Based on the weighted density approximation, we derive a simple analytical expression for the contact electrostatic potential, which allows us to analytically calculate the differential capacitance of the double layer.
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spelling Frydel, DerekLevin, Yan2020-01-30T04:09:54Z20120021-9606http://hdl.handle.net/10183/205121000868564We explore the effect of steric interaction on the ionic density distribution near a charged hard wall. For weakly charged walls, small particles, and monovalent ions, the mean-field Poisson-Boltzmann equation provides an excellent description of the density profiles. For large ions and large surface charges, however, deviations appear. To explore these, we use the density functional theory. We find that local density functionals are not able to account for steric interactions near a wall. Based on the weighted density approximation, we derive a simple analytical expression for the contact electrostatic potential, which allows us to analytically calculate the differential capacitance of the double layer.application/pdfengThe journal of chemical physics. New York. Vol. 137, no. 16 (Oct. 2012), 164703, 8 p.Equação de BoltzmannTeoria dos líquidosEquação de PoissonEletrostáticaEletroquímicaPotencial eletricoCondutividade iônicaA close look into the excluded volume effects within a double layerEstrangeiroinfo:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da UFRGSinstname:Universidade Federal do Rio Grande do Sul (UFRGS)instacron:UFRGSTEXT000868564.pdf.txt000868564.pdf.txtExtracted Texttext/plain38308http://www.lume.ufrgs.br/bitstream/10183/205121/2/000868564.pdf.txtdd89d118fe28b3dec5e8d31560d1b827MD52ORIGINAL000868564.pdfTexto completo (inglês)application/pdf827419http://www.lume.ufrgs.br/bitstream/10183/205121/1/000868564.pdfb139e08d8e0bb949cc47f16b40622516MD5110183/2051212023-09-02 03:35:14.485165oai:www.lume.ufrgs.br:10183/205121Repositório de PublicaçõesPUBhttps://lume.ufrgs.br/oai/requestopendoar:2023-09-02T06:35:14Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false
dc.title.pt_BR.fl_str_mv A close look into the excluded volume effects within a double layer
title A close look into the excluded volume effects within a double layer
spellingShingle A close look into the excluded volume effects within a double layer
Frydel, Derek
Equação de Boltzmann
Teoria dos líquidos
Equação de Poisson
Eletrostática
Eletroquímica
Potencial eletrico
Condutividade iônica
title_short A close look into the excluded volume effects within a double layer
title_full A close look into the excluded volume effects within a double layer
title_fullStr A close look into the excluded volume effects within a double layer
title_full_unstemmed A close look into the excluded volume effects within a double layer
title_sort A close look into the excluded volume effects within a double layer
author Frydel, Derek
author_facet Frydel, Derek
Levin, Yan
author_role author
author2 Levin, Yan
author2_role author
dc.contributor.author.fl_str_mv Frydel, Derek
Levin, Yan
dc.subject.por.fl_str_mv Equação de Boltzmann
Teoria dos líquidos
Equação de Poisson
Eletrostática
Eletroquímica
Potencial eletrico
Condutividade iônica
topic Equação de Boltzmann
Teoria dos líquidos
Equação de Poisson
Eletrostática
Eletroquímica
Potencial eletrico
Condutividade iônica
description We explore the effect of steric interaction on the ionic density distribution near a charged hard wall. For weakly charged walls, small particles, and monovalent ions, the mean-field Poisson-Boltzmann equation provides an excellent description of the density profiles. For large ions and large surface charges, however, deviations appear. To explore these, we use the density functional theory. We find that local density functionals are not able to account for steric interactions near a wall. Based on the weighted density approximation, we derive a simple analytical expression for the contact electrostatic potential, which allows us to analytically calculate the differential capacitance of the double layer.
publishDate 2012
dc.date.issued.fl_str_mv 2012
dc.date.accessioned.fl_str_mv 2020-01-30T04:09:54Z
dc.type.driver.fl_str_mv Estrangeiro
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dc.identifier.uri.fl_str_mv http://hdl.handle.net/10183/205121
dc.identifier.issn.pt_BR.fl_str_mv 0021-9606
dc.identifier.nrb.pt_BR.fl_str_mv 000868564
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dc.language.iso.fl_str_mv eng
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dc.relation.ispartof.pt_BR.fl_str_mv The journal of chemical physics. New York. Vol. 137, no. 16 (Oct. 2012), 164703, 8 p.
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reponame_str Repositório Institucional da UFRGS
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