Direct determination of forces between charged nanogels through coarse-grained simulations.

Abstract

In this work, electrostatic forces between charged nanogels are explored through coarse-grained simulations. These simulations allow us to explicitly consider the complex topology of these nanoparticles and provide reliable force values to examine highly charged nanogels of a few tens of nanometers. The results obtained here clearly reveal that the electrostatic interactions between these nanoparticles are not governed by the net charge of the nanogel, which includes not only the charge of the polymer network but also the charge of ions inside. Thus two theoretical procedures for predicting effective charges are also proposed and investigated. Both provide predictions of the same order and capture the behavior found for the effective charge obtained from simulations.