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Non-monotonic behavior of weak-polyelectrolytes adsorption on a cationic surface: a Monte Carlo simulation study

dc.contributor.authorNarambuena, Claudio F.
dc.contributor.authorBlanco, Pablo M.
dc.contributor.authorRodriguez, Adrian
dc.contributor.authorRodriguez, Diego E.
dc.contributor.authorMadurga, Sergio
dc.contributor.authorGarcés, Josep Lluís
dc.contributor.authorMas i Pujadas, Francesc
dc.date.accessioned2022-03-14T13:46:29Z
dc.date.available2022-03-14T13:46:29Z
dc.date.issued2021
dc.identifier.issn0032-3861
dc.identifier.urihttp://hdl.handle.net/10459.1/73266
dc.description.abstractIn this work, the weak polyelectrolyte (PE) adsorption on a strong cationic surface is studied with constant pH Monte Carlo simulations using a coarse-grained model. When a large number of PE chains is added to the system, the PE adsorbed amount vs pH curve exhibits a nonmonotonic behavior, with the appearance of a maximum close to the intrinsic p -value of the PE titratable groups. The apparent p -value of the PE chains shows a non-trivial tendency depending on the pH-value and the surface coverage degree. In increasing the pH-value, the small anions that accompany the cationic surface are replaced by PE chains and small cations. For pH > ~ p + 1, an evident charge reversion of surface is observed. These results are explained analyzing the interplay between the attractive and repulsion electrostatic interactions between the different components of the system (inter- and intra-charged monomers of PE chains, the strong cationic surface and small ions) and their effects on the PE chain ionization.ca_ES
dc.description.sponsorshipC.F.N, D.E.R. and A.R acknowledge the financial support from Universidad Tecnológica Nacional (PID IPIFNSR0005173) and the C.F.K. support. P.M.B., S.M., J.L.G. and F.M. acknowledge the financial support from Generalitat de Catalunya (Grants 2017SGR1033, 2017SGR1329). P.M.B., S.M. and F.M. acknowledge Spanish Structures of Excellence María de Maeztu program through (Grant MDM-2017{0767). J.L.G. also acknowledges the Spanish Ministry of Science and Innovation (project CTM2016-78798-C2-1-P). P.M.B. also acknowledges the financial support from grant (FI-2017) of Generalitat de Catalunya.ca_ES
dc.language.isoengca_ES
dc.publisherElsevierca_ES
dc.relationMINECO/PN2013-2016/ CTM2016-78798-C2-1-Pca_ES
dc.relation.isformatofVersió postprint del document publicat a https://doi.org/10.1016/j.polymer.2020.123170 issn:0032-3861ca_ES
dc.relation.ispartofPolymer, 2021, vol. 212, núm. 6, p. 1-41ca_ES
dc.rightscc-by-nc-nd (c) Elsevier, 2021
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectWeak polyelectrolytesca_ES
dc.subjectAdsorptionca_ES
dc.subjectCharge reversionca_ES
dc.subjectCharge surfaceca_ES
dc.subjectConstant pH simulationca_ES
dc.subjectMonte Carloca_ES
dc.titleNon-monotonic behavior of weak-polyelectrolytes adsorption on a cationic surface: a Monte Carlo simulation studyca_ES
dc.typeinfo:eu-repo/semantics/articleca_ES
dc.identifier.idgrec031922
dc.type.versioninfo:eu-repo/semantics/acceptedVersionca_ES
dc.rights.accessRightsinfo:eu-repo/semantics/embargoedAccessca_ES
dc.identifier.doihttps://doi.org/10.1016/j.polymer.2020.123170
dc.date.embargoEndDate2022-10-31


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cc-by-nc-nd (c) Elsevier, 2021
Except where otherwise noted, this item's license is described as cc-by-nc-nd (c) Elsevier, 2021