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dc.contributor.authorCalin, David
dc.contributor.authorCompanys Ferran, Encarnació
dc.contributor.authorGalceran i Nogués, Josep
dc.contributor.authorGarcés, Josep Lluís
dc.contributor.authorMas i Pujadas, Francesc
dc.contributor.authorRey Castro, Carlos
dc.contributor.authorSalvador, José
dc.contributor.authorPuy Llorens, Jaume
dc.date.accessioned2016-09-23T11:20:17Z
dc.date.issued2008
dc.identifier.issn1520-6106
dc.identifier.urihttp://hdl.handle.net/10459.1/57836
dc.description.abstractStepwise constants can be used to describe competitive proton and metal binding to macromolecules with a large number of sites. With the aim of accessing information on the microscopic binding model, we report an expression that connects the stepwise constants to the site-specific metal constants. This expression holds for a very general complexation model including heterogeneity, interactions, and chelate complexation. Assuming bidentate binding of the Cd ions to adjacent carboxylate groups in poly(acrylic acid), stepwise and intrinsic stability constants for proton and cadmium binding were estimated from the experimental data. Intrinsic values were split into specific and electrostatic contributions (by means of the Poisson - Boltzmann equation under cylindrical geometry). Free of the electrostatic contribution, the remaining Cd binding energy showed almost no dependence on the coverage and ionic strength, and the corresponding average values allowed for a reasonable reproduction of raw binding data. Small systematic discrepancies from the homogeneous behavior are critically discussed.ca_ES
dc.description.sponsorshipThe authors gratefully acknowledge support of this research by the Spanish Ministry of Education and Science (Projects CTQ2006-14385 and CTM2006-13583) and by the “Comissionat d’Universitats i Recerca de la Generalitat de Catalunya” (2005SGR00616).ca_ES
dc.language.isoengca_ES
dc.publisherAmerican Chemical Societyca_ES
dc.relationMECI/PN2004-2007/CTQ2006-14385-C02/BQUca_ES
dc.relationMIECI/PN2004-2007/CTM2006-13583-C02-01ca_ES
dc.relation.isformatofReproducció del document publicat a https://doi.org/10.1021/jp802571fca_ES
dc.relation.ispartofJournal of Physical Chemistry B, 2008, vol. 112, núm. 33, p. 10092-10100ca_ES
dc.rights(c) American Chemical Society, 2008ca_ES
dc.subject.otherQuímicaca_ES
dc.subject.otherProtonsca_ES
dc.titleCompetitive Cd2+/H+ complexation to polyacrylic acid described by the stepwise and intrinsic stability constantsca_ES
dc.typearticleca_ES
dc.identifier.idgrec012467
dc.type.versionpublishedVersionca_ES
dc.rights.accessRightsinfo:eu-repo/semantics/restrictedAccessca_ES
dc.identifier.doihttps://doi.org/10.1021/jp802571f
dc.date.embargoEndDate2025-01-01


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