Adsorption of a weakly charged polymer on an oppositely charged colloidal particle: Monte Carlo simulations investigation

Monte Carlo simulations were used to investigate the conformational and electrical properties of isolated weak polyelectrolytes in the presence of an oppositely charged particle. Titrations curves were calculated to get an insight into the role of pH on the degree of ionization and conformation of isolated chains. The effect of ionic concentration and polyelectrolyte length on the titration curves was also investigated. The complex formation between the isolated polyelectrolyte and the oppositely charged particle was considered at different pH and ionic concentration values. The adsorption/desorption limit was calculated and the effect of the polyelectrolyte adsorption on the titration curves investigated. In particular, it was demonstrated that the presence of an oppositely charged particle clearly increases the degree of ionization of the weak polyelectrolyte and that ionic concentration plays a subtle role by increasing/reducing both the attractive energy between the polyelectrolyte and the particle and the polyelectrolyte degree of ionization. q 2004 Elsevier Ltd. All rights reserved.