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  • Title: Adsorption of polyelectrolytes onto oppositely charged cylindrical macroions.
    Author: de Carvalho SJ, Caetano DL.
    Journal: J Chem Phys; 2013 Jun 28; 138(24):244909. PubMed ID: 23822276.
    Abstract:
    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.
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