Adsorption of polyelectrolytes onto oppositely charged cylindrical macroions
Contribuinte(s) |
Universidade Estadual Paulista (UNESP) |
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Data(s) |
27/05/2014
27/05/2014
28/06/2013
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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. |
Identificador |
http://dx.doi.org/10.1063/1.4811842 Journal of Chemical Physics, v. 138, n. 24, 2013. 0021-9606 http://hdl.handle.net/11449/75725 10.1063/1.4811842 WOS:000321148200057 2-s2.0-84879924684 |
Idioma(s) |
eng |
Relação |
Journal of Chemical Physics |
Direitos |
closedAccess |
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 |
Tipo |
info:eu-repo/semantics/article |