2026-04-18T06:52:29Zhttps://recercat.cat/oai/requestoai:recercat.cat:2445/1731372025-12-04T21:00:29Zcom_2072_1057col_2072_478796col_2072_478917
RECERCAT
author
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
2021-01-14T14:33:38Z2022-10-31T06:10:24Z2021-012021-01-14T14:33:38Z
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.
cc-by-nc-nd (c) Elsevier B.V., 2020 http://creativecommons.org/licenses/by-nc-nd/3.0/es info:eu-repo/semantics/openAccess
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
info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion