DOI: 10.1140/epje/i2002-10086-0
Monte Carlo simulations of star-branched polyelectrolyte micelles
M. Roger1, P. Guenoun1, F. Muller1, L. Belloni2 and M. Delsanti21 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
roger@drecam.saclay.cea.fr
(Received 18 July 2002 and Received in final form 11 October 2002 / Published online: 21 January 2003)
Abstract
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