Otro
Adsorption of polyelectrolytes onto oppositely charged cylindrical macroions
Registro en:
Journal of Chemical Physics, v. 138, n. 24, 2013.
0021-9606
10.1063/1.4811842
WOS:000321148200057
2-s2.0-84879924684
Autor
De Carvalho, Sidney Jurado
Caetano, Daniel Lucas Zago
Resumen
In this work we investigate the adsorption of polyelectrolyte chains onto uniformly charged cylindrical macroions by means of the Metropolis Monte Carlo simulations and weighted histogram analysis method. Adopting a simplified model for macromolecules and treating the electrolytic solution in the Debye-Hückel level, conformational properties of the adsorbed chain, such as the radius of gyration and the thickness of the adsorbed layer, are provided as a function of ionic strength and macroion charge density. By analysis of the free energy profile as a function of the radius of gyration it was possible to identify first-order-like transitions between adsorbed and desorbed states and obtain a macroion charge density dependence of the critical ionic strength in good agreement with experiments. © 2013 AIP Publishing LLC.