Monte Carlo simulations of star-branched polyelectrolyte micellesM. Roger1, P. Guenoun1, F. Muller1, L. Belloni2 and M. Delsanti2
1 DRECAM, Service de Physique de l'Etat Condensé, CEA Saclay, 91191 Gif-sur-Yvette Cedex, France
2 DRECAM, Service de Chimie Moléculaire, CEA Saclay, 91191 Gif-sur-Yvette Cedex, France
(Received 18 July 2002 and Received in final form 11 October 2002 / Published online: 21 January 2003)
The concentration profiles of monomers and counterions in star-branched polyelectrolyte micelles are calculated through Monte Carlo simulations, using the freely jointed chain model. We have investigated the onset of different regimes corresponding to the spherical and Manning condensation of counterions as a function of the strength of the Coulomb coupling. The Monte Carlo results are in fair agreement with the predictions of Self-Consistent-Field analytical models. We have simulated a real system of diblock copolymer micelles of (sodium-polystyrene-sulfonate)(NaPSS)-(polyethylene-propylene)(PEP) with f=54 hydrophilic branches of N=251 monomers at room temperature in salt-free solution. The calculated form factor compares nicely with our neutron scattering data.
82.70.-y - Disperse systems; complex fluids.
61.20.-p - Structure of liquids.
82.35.Rs - Polyelectrolytes.
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2002