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Title: | Non-monotonic behavior of weak-polyelectrolytes adsorption on a cationic surface: A Monte Carlo simulation study |
Author: | Narambuena, Claudio F. Blanco Andrés, Pablo M. Rodríguez, Adrián Rodríguez, Diego E. Madurga Díez, Sergio Garcés, Josep Lluís Mas i Pujadas, Francesc |
Keywords: | Polielectròlits Adsorció Mètode de Montecarlo Polyelectrolytes Adsorption Monte Carlo method |
Issue Date: | Jan-2021 |
Publisher: | Elsevier B.V. |
Abstract: | 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. |
Note: | Versió postprint del document publicat a: https://doi.org/10.1016/j.polymer.2020.123170 |
It is part of: | Polymer, 2020, vol. 212, p. 123170 |
URI: | http://hdl.handle.net/2445/173137 |
Related resource: | https://doi.org/10.1016/j.polymer.2020.123170 |
ISSN: | 0032-3861 |
Appears in Collections: | Articles publicats en revistes (Ciència dels Materials i Química Física) |
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