Monte Carlo simulations of star-branched polyelectrolyte micelles |
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Authors: | M Roger P Guenoun F Muller L Belloni M Delsanti |
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Institution: | (1) DRECAM, Service de Physique de l'Etat Condensé, CEA Saclay, 91191 Gif-sur-Yvette Cedex, France, FR;(2) DRECAM, Service de Chimie Moléculaire, CEA Saclay, 91191 Gif-sur-Yvette Cedex, France, FR |
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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.
Received 18 July 2002 and Received in final form 11 October 2002
RID="a"
ID="a"e-mail: roger@drecam.saclay.cea.fr |
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Keywords: | PACS 82 70 -y Disperse systems complex fluids – 61 20 -p Structure of liquids – 82 35 Rs Polyelectrolytes |
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