Counterion condensation on polyelectrolyte chains adsorbed on charged surfaces

Autores
Narambuena, Claudio Fabian; Leiva, Ezequiel Pedro M.; Pérez, Elías
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We developed a Monte Carlo systematic study into the effect of counterion condensation on the polyelectrolyte adsorption process on charged surfaces. Polyelectrolyte is modeled as a full-flexible chain whose size is characterized by the equilibrium bond length and the number of monomers per chain. The small anions and cations are explicitly modeled. The adsorption proceeds with a non-trivial counterion condensation degree on the polyelectrolyte chain. When the polyelectrolyte coverage degree on the surface is low, the chain looses most of its counterions (anions), due to their electrostatic repulsion with the negatively charged surface. This effect is more evident when the equilibrium bond length is shorter. Counterions are recondensed as coverage degree increases, and this is attributed to two main energetic reasons: first, the chains adsorbed cause shielding of anion-surface repulsive electrostatic interaction; second, the repulsive interaction between chains adsorbed on the surface is shielded by the condensed counterions on these chains. The amount of polyelectrolyte adsorbed and degree of condensation counterions reaches a plateau as a function of the number of chains added to the simulation box. At this point surface charge is overcompensated in a similar magnitude for the different chain types. However, the adsorbed chains keep most of their condensed counterions when the equilibrium bond length is shorter. Additionally, we study the size effect (number of monomer per chain) on the condensation degree on adsorbed polyelectrolyte. Condensation is highly dependent on a low chain size (low than 60 monomers approximately) since end effects are important. With a higher chain size, counterion condensation and charge reversal show a negligible correlation with chain size.
Fil: Narambuena, Claudio Fabian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina. Northwestern University; Estados Unidos
Fil: Leiva, Ezequiel Pedro M.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Pérez, Elías. Instituto de Física, Universidad Autónoma de San Luis Potosí; México
Materia
Polyelectrolyte Adsorption
Counterion Condensation
Electrostatic Interaction
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/47377
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Counterion condensation on polyelectrolyte chains adsorbed on charged surfacesNarambuena, Claudio FabianLeiva, Ezequiel Pedro M.Pérez, ElíasPolyelectrolyte AdsorptionCounterion CondensationElectrostatic Interactionhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1We developed a Monte Carlo systematic study into the effect of counterion condensation on the polyelectrolyte adsorption process on charged surfaces. Polyelectrolyte is modeled as a full-flexible chain whose size is characterized by the equilibrium bond length and the number of monomers per chain. The small anions and cations are explicitly modeled. The adsorption proceeds with a non-trivial counterion condensation degree on the polyelectrolyte chain. When the polyelectrolyte coverage degree on the surface is low, the chain looses most of its counterions (anions), due to their electrostatic repulsion with the negatively charged surface. This effect is more evident when the equilibrium bond length is shorter. Counterions are recondensed as coverage degree increases, and this is attributed to two main energetic reasons: first, the chains adsorbed cause shielding of anion-surface repulsive electrostatic interaction; second, the repulsive interaction between chains adsorbed on the surface is shielded by the condensed counterions on these chains. The amount of polyelectrolyte adsorbed and degree of condensation counterions reaches a plateau as a function of the number of chains added to the simulation box. At this point surface charge is overcompensated in a similar magnitude for the different chain types. However, the adsorbed chains keep most of their condensed counterions when the equilibrium bond length is shorter. Additionally, we study the size effect (number of monomer per chain) on the condensation degree on adsorbed polyelectrolyte. Condensation is highly dependent on a low chain size (low than 60 monomers approximately) since end effects are important. With a higher chain size, counterion condensation and charge reversal show a negligible correlation with chain size.Fil: Narambuena, Claudio Fabian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina. Northwestern University; Estados UnidosFil: Leiva, Ezequiel Pedro M.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Pérez, Elías. Instituto de Física, Universidad Autónoma de San Luis Potosí; MéxicoElsevier Science2015-09-20info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/47377Narambuena, Claudio Fabian; Leiva, Ezequiel Pedro M.; Pérez, Elías; Counterion condensation on polyelectrolyte chains adsorbed on charged surfaces; Elsevier Science; Colloids and Surfaces A: Physicochemical and Engineering Aspects; 487; 20-9-2015; 49-570927-7757CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0927775715302260info:eu-repo/semantics/altIdentifier/doi/10.1016/j.colsurfa.2015.09.038info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:10:52Zoai:ri.conicet.gov.ar:11336/47377instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-22 11:10:53.02CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Counterion condensation on polyelectrolyte chains adsorbed on charged surfaces
title Counterion condensation on polyelectrolyte chains adsorbed on charged surfaces
spellingShingle Counterion condensation on polyelectrolyte chains adsorbed on charged surfaces
Narambuena, Claudio Fabian
Polyelectrolyte Adsorption
Counterion Condensation
Electrostatic Interaction
title_short Counterion condensation on polyelectrolyte chains adsorbed on charged surfaces
title_full Counterion condensation on polyelectrolyte chains adsorbed on charged surfaces
title_fullStr Counterion condensation on polyelectrolyte chains adsorbed on charged surfaces
title_full_unstemmed Counterion condensation on polyelectrolyte chains adsorbed on charged surfaces
title_sort Counterion condensation on polyelectrolyte chains adsorbed on charged surfaces
dc.creator.none.fl_str_mv Narambuena, Claudio Fabian
Leiva, Ezequiel Pedro M.
Pérez, Elías
author Narambuena, Claudio Fabian
author_facet Narambuena, Claudio Fabian
Leiva, Ezequiel Pedro M.
Pérez, Elías
author_role author
author2 Leiva, Ezequiel Pedro M.
Pérez, Elías
author2_role author
author
dc.subject.none.fl_str_mv Polyelectrolyte Adsorption
Counterion Condensation
Electrostatic Interaction
topic Polyelectrolyte Adsorption
Counterion Condensation
Electrostatic Interaction
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We developed a Monte Carlo systematic study into the effect of counterion condensation on the polyelectrolyte adsorption process on charged surfaces. Polyelectrolyte is modeled as a full-flexible chain whose size is characterized by the equilibrium bond length and the number of monomers per chain. The small anions and cations are explicitly modeled. The adsorption proceeds with a non-trivial counterion condensation degree on the polyelectrolyte chain. When the polyelectrolyte coverage degree on the surface is low, the chain looses most of its counterions (anions), due to their electrostatic repulsion with the negatively charged surface. This effect is more evident when the equilibrium bond length is shorter. Counterions are recondensed as coverage degree increases, and this is attributed to two main energetic reasons: first, the chains adsorbed cause shielding of anion-surface repulsive electrostatic interaction; second, the repulsive interaction between chains adsorbed on the surface is shielded by the condensed counterions on these chains. The amount of polyelectrolyte adsorbed and degree of condensation counterions reaches a plateau as a function of the number of chains added to the simulation box. At this point surface charge is overcompensated in a similar magnitude for the different chain types. However, the adsorbed chains keep most of their condensed counterions when the equilibrium bond length is shorter. Additionally, we study the size effect (number of monomer per chain) on the condensation degree on adsorbed polyelectrolyte. Condensation is highly dependent on a low chain size (low than 60 monomers approximately) since end effects are important. With a higher chain size, counterion condensation and charge reversal show a negligible correlation with chain size.
Fil: Narambuena, Claudio Fabian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina. Northwestern University; Estados Unidos
Fil: Leiva, Ezequiel Pedro M.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Pérez, Elías. Instituto de Física, Universidad Autónoma de San Luis Potosí; México
description We developed a Monte Carlo systematic study into the effect of counterion condensation on the polyelectrolyte adsorption process on charged surfaces. Polyelectrolyte is modeled as a full-flexible chain whose size is characterized by the equilibrium bond length and the number of monomers per chain. The small anions and cations are explicitly modeled. The adsorption proceeds with a non-trivial counterion condensation degree on the polyelectrolyte chain. When the polyelectrolyte coverage degree on the surface is low, the chain looses most of its counterions (anions), due to their electrostatic repulsion with the negatively charged surface. This effect is more evident when the equilibrium bond length is shorter. Counterions are recondensed as coverage degree increases, and this is attributed to two main energetic reasons: first, the chains adsorbed cause shielding of anion-surface repulsive electrostatic interaction; second, the repulsive interaction between chains adsorbed on the surface is shielded by the condensed counterions on these chains. The amount of polyelectrolyte adsorbed and degree of condensation counterions reaches a plateau as a function of the number of chains added to the simulation box. At this point surface charge is overcompensated in a similar magnitude for the different chain types. However, the adsorbed chains keep most of their condensed counterions when the equilibrium bond length is shorter. Additionally, we study the size effect (number of monomer per chain) on the condensation degree on adsorbed polyelectrolyte. Condensation is highly dependent on a low chain size (low than 60 monomers approximately) since end effects are important. With a higher chain size, counterion condensation and charge reversal show a negligible correlation with chain size.
publishDate 2015
dc.date.none.fl_str_mv 2015-09-20
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/47377
Narambuena, Claudio Fabian; Leiva, Ezequiel Pedro M.; Pérez, Elías; Counterion condensation on polyelectrolyte chains adsorbed on charged surfaces; Elsevier Science; Colloids and Surfaces A: Physicochemical and Engineering Aspects; 487; 20-9-2015; 49-57
0927-7757
CONICET Digital
CONICET
url http://hdl.handle.net/11336/47377
identifier_str_mv Narambuena, Claudio Fabian; Leiva, Ezequiel Pedro M.; Pérez, Elías; Counterion condensation on polyelectrolyte chains adsorbed on charged surfaces; Elsevier Science; Colloids and Surfaces A: Physicochemical and Engineering Aspects; 487; 20-9-2015; 49-57
0927-7757
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0927775715302260
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.colsurfa.2015.09.038
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.982451

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