Monte-Carlo simulations of star-branched polyelectrolyte micelles

Details Monte-Carlo simulations of star-branched polyelectrolyte micelles Monte-Carlo simulations of star-branched polyelectrolyte micelles

2002-10-25

arxiv.org/abs/cond-mat/0210572v1

Physics

Condensed Matter

Soft Condensed Matter

14 pages, 20 figures

Scientific paper

10.1140/epje/i2002-10086-0

The concentration profiles of monomers and counterions in star-branched polyelectrolyte micelles are calculated through Monte-Carlo simulations, using the simplest 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 and compared the calculated form factor with our neutron-scattering data.

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