2026-04-18T03:21:00Zhttps://recercat.cat/oai/request

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

00925njm 22002777a 4500 dc Narambuena, Claudio F. author Blanco Andrés, Pablo M. author Rodríguez, Adrián author Rodríguez, Diego E. author Madurga Díez, Sergio author Garcés, Josep Lluís author Mas i Pujadas, Francesc author 2021-01-14T14:33:38Z 2022-10-31T06:10:24Z 2021-01 2021-01-14T14:33:38Z 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. Polielectròlits Adsorció Mètode de Montecarlo Polyelectrolytes Adsorption Monte Carlo method Non-monotonic behavior of weak-polyelectrolytes adsorption on a cationic surface: A Monte Carlo simulation study