Issue 12, 2020

Coarse-grained Monte Carlo simulations of nanogel–polyelectrolyte complexes: electrostatic effects

Abstract

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 and (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 also be stressed that the chain topology has little influence on most of the properties studied here.

Graphical abstract: Coarse-grained Monte Carlo simulations of nanogel–polyelectrolyte complexes: electrostatic effects

Article information

Article type
Paper
Submitted
30 Jan 2020
Accepted
14 Feb 2020
First published
14 Feb 2020

Soft Matter, 2020,16, 3022-3028

Coarse-grained Monte Carlo simulations of nanogel–polyelectrolyte complexes: electrostatic effects

L. Pérez-Mas, A. Martín-Molina and M. Quesada-Pérez, Soft Matter, 2020, 16, 3022 DOI: 10.1039/D0SM00173B

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