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Simulations and scattering functions of polyelectrolyte-macroion complexes

Carnal, Fabrice ; Laguecir, Abohachem ; Stoll, Serge

In: Colloid and Polymer Science, 2004, vol. 283, no. 3, p. 317-328

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    Titre
    • Simulations and scattering functions of polyelectrolyte-macroion complexes
    Auteur
    • Carnal, Fabrice. Analytical and Biophysical Environmental Chemistry (CABE), Department of Inorganic, Analytical and Applied Chemistry, Sciences II, University of Geneva, 30 quai E. Ansermet, 1211, Geneva 4, Switzerland
    • Laguecir, Abohachem. Analytical and Biophysical Environmental Chemistry (CABE), Department of Inorganic, Analytical and Applied Chemistry, Sciences II, University of Geneva, 30 quai E. Ansermet, 1211, Geneva 4, Switzerland
    • Stoll, Serge. Analytical and Biophysical Environmental Chemistry (CABE), Department of Inorganic, Analytical and Applied Chemistry, Sciences II, University of Geneva, 30 quai E. Ansermet, 1211, Geneva 4, Switzerland
    Type de document
    • Postprint
    Langue
    • Anglais
    Publié dans
    • Colloid and Polymer Science, 2004, vol. 283, no. 3, p. 317-328. Springer-Verlag
    Autre version électronique
    Identifiant OAI-PMH
    • oai:doc.rero.ch:319492
    Summary
    Using Monte Carlo simulations of complex formation between a polyelectrolyte chain and an oppositely charged macroion, we calculated the scattering function of the polyelectrolyte chain. We investigated the case of the isolated polyelectrolyte chain and studied the effect and influence of key parameters such as the ionic concentration of the solution, polyelectrolyte length and intrinsic rigidity on the scattering function. Then, we focused on the polyelectrolyte-macroion complex by calculating the structure factor S(q) of the adsorbed polyelectrolyte chain. Typical conformations ranging from coils, extended chains to solenoids are revealed and the corresponding S(q) analysed. The effects of ionic concentration, chain length and intrinsic rigidity and relative size ratio between the polyelectrolyte and the macroion are investigated. Important effects on the structure factor of the adsorbed polyelectrolyte are observed when the macroion is partially or totally wrapped by the polyelectrolyte. Distance correlations between the polyelectrolyte monomer positions at the surface of the macroion induce the formation of peaks in the fractal regime of S(q). For semiflexible chains, when solenoid conformations are observed, the position of the peaks in the fractal regime corresponds directly to the separation distance between the turns. The formation of a protruding tail in solution is also observed through the formation in the fractal regime of a linear domain