Coarse-grained Monte Carlo simulations of nanogel-polyelectrolyte complexes: electrostatic effects.
Coarse-grained Monte-Carlo simulations of nanogel-polyelectrolyte complexes have been carried out. The results presented here capture two phenomena reported in experiments with real complexes: i) the reduction in size after absorbing just a few chains; ii) the charge inversion detected through electrophoretic mobility data. Our simulations reveal that charge inversion occurs if the polyelectrolyte charge is large enough. In addition, the distribution of chains inside the nanogel strongly depends on whether charge inversion takes place. It should be also stressed that the chain topology has very scarce influence on most of the properties studied here.