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

Fecha

2020-02-14

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Editor

Royal Society of Chemistry

Resumen

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.

Descripción

Palabras clave

nanogel, polyelectrolyte, coarse-grained model, coarse-grained simulation

Citación

L. Pérez-Mas, A. Martín-Molina, M. Quesada-Pérez; "Coarse-grained Monte Carlo simulations of nanogel-polyelectrolyte complexes: electrostatic effects"; Soft Matter, 2020, 16, 3022 (DOI:10.1039/d0sm00173b)

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