Browsing Articles publicats (Agrotecnio Center) by Author "Madurga, Sergio"
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Dealing with long‐range interactions in the determination of polyelectrolyte ionization properties. Extension of the transfer matrix formalism to the full range of ionic strengths
Garcés, Josep Lluís; Madurga, Sergio; Rey Castro, Carlos; Mas i Pujadas, Francesc (Wiley, 2016-11-14)The ionization state of charged macromolecules in solution is usually determined by the extent of the binding processes. These processes are very sensitive to the ionic strength of the medium, which are of long-range nature. ... -
Ionization and Conformational Equilibria of Citric Acid: Delocalized Proton Binding in Solution
Madurga, Sergio; Nedyalkova, Miroslava; Mas, Francesc; Garcés, Josep Lluís (American Chemical Society, 2017-07-13)The microspeciation of citric acid is studied by analyzing NMR titration data. When the site binding (SB) model, which assumes fully localized proton binding to the carboxylic groups, is used to obtain microscopic energy ... -
Non-monotonic behavior of weak-polyelectrolytes adsorption on a cationic surface: a Monte Carlo simulation study
Narambuena, Claudio F.; Blanco, Pablo M.; Rodriguez, Adrian; Rodriguez, Diego E.; Madurga, Sergio; Garcés, Josep Lluís; Mas i Pujadas, Francesc (Elsevier, 2021)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, ... -
Role of charge regulation and fluctuations in the conformational and mechanical properties of weak flexible polyelectrolytes
Blanco, Pablo M.; Madurga, Sergio; Narambuena, Claudio F.; Mas i Pujadas, Francesc; Garcés, Josep Lluís (MDPI, 2019-11-29)This work addresses the role of charge regulation (CR) and the associated fluctuations in the conformational and mechanical properties of weak polyelectrolytes. Due to CR, changes in the pH-value modifies the average ...