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.

中文翻译：

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纳米凝胶-聚电解质配合物的粗粒度蒙特卡罗模拟：静电效应。

纳米凝胶-聚电解质配合物的粗粒度蒙特卡罗模拟已经进行。此处给出的结果捕获了真实配合物实验中报道的两种现象：（i）仅吸收少量链后尺寸减小；（ii）通过电泳迁移率数据检测到的电荷反转。我们的模拟表明，如果聚电解质电荷足够大，则会发生电荷反转。另外，纳米凝胶内链的分布在很大程度上取决于是否发生电荷反转。还应强调的是，链拓扑对此处研究的大多数属性影响很小。