2026-04-18T06:36:03Zhttps://recercat.cat/oai/request

oai:recercat.cat:2445/1731372025-12-04T21:00:29Zcom_2072_1057col_2072_478796col_2072_478917

urn:hdl:2445/173137 Non-monotonic behavior of weak-polyelectrolytes adsorption on a cationic surface: A Monte Carlo simulation study Narambuena, Claudio F. Blanco Andrés, Pablo M. Rodríguez, Adrián Rodríguez, Diego E. Madurga Díez, Sergio Garcés, Josep Lluís Mas i Pujadas, Francesc Polielectròlits Adsorció Mètode de Montecarlo Polyelectrolytes Adsorption Monte Carlo method In 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 titration curve exhibits a non-monotonic behavior, with the appearance of a maximum close to the intrinsic p𝐾º-value of the PE titratable groups. The apparent p𝐾a-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 > ~ p𝐾º + 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. 2021-01-14T14:33:38Z 2022-10-31T06:10:24Z 2021-01 2021-01-14T14:33:38Z info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Versió postprint del document publicat a: https://doi.org/10.1016/j.polymer.2020.123170 Polymer, 2020, vol. 212, p. 123170 https://doi.org/10.1016/j.polymer.2020.123170 cc-by-nc-nd (c) Elsevier B.V., 2020 http://creativecommons.org/licenses/by-nc-nd/3.0/es info:eu-repo/semantics/openAccess Elsevier B.V. Articles publicats en revistes (Ciència dels Materials i Química Física)