Adsorption of polyelectrolytes onto oppositely charged cylindrical macroions
Nenhuma Miniatura disponível
Data
2013-06-28
Autores
De Carvalho, Sidney Jurado [UNESP]
Caetano, Daniel Lucas Zago [UNESP]
Título da Revista
ISSN da Revista
Título de Volume
Editor
Resumo
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.
Descrição
Palavras-chave
Conformational properties, Density dependence, Electrolytic solution, Macroion charges, Metropolis Monte Carlo simulations, Polyelectrolyte chain, Radius of gyration, Weighted histogram analysis method, Ionic strength, Monte Carlo methods, Polyelectrolytes, Adsorption
Como citar
Journal of Chemical Physics, v. 138, n. 24, 2013.