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互穿网络微凝胶合成的模拟

Simulation of interpenetrating networks microgel synthesis.

作者信息

Rudyak Vladimir Yu, Kozhunova Elena Yu, Chertovich Alexander V

机构信息

Faculty of Physics, Lomonosov Moscow State University, Leninskie Gory, 1-2, Moscow 119991, Russia.

出版信息

Soft Matter. 2020 May 28;16(20):4858-4865. doi: 10.1039/d0sm00287a. Epub 2020 May 18.

Abstract

In this paper, we have implemented the sequential template synthesis of interpenetrating network (IPN) microgels in computer simulations and studied the behavior of such particles. We explored the influence of the interaction between the components of primary and secondary networks on the polymerization process and determined the necessary conditions for IPN particle formation. The interconnection between the parameters of synthesis and topological properties of the resulting microgels was investigated. We studied the morphologies of microgels in "good", "poor" and "selective" solvents. For the first time, we demonstrated the possibility of the formation of shell-corona structures in IPN microgels obtained by in silico synthesis from monomers and exposed to a selective solvent. These results allow for the better understanding of the required experimental conditions and data interpretation such as static structure factors.

摘要

在本文中,我们在计算机模拟中实现了互穿网络(IPN)微凝胶的顺序模板合成,并研究了此类颗粒的行为。我们探讨了初级和次级网络组分之间的相互作用对聚合过程的影响,并确定了形成IPN颗粒的必要条件。研究了所得微凝胶的合成参数与拓扑性质之间的相互关系。我们研究了微凝胶在“良”溶剂、“不良”溶剂和“选择性”溶剂中的形态。首次证明了通过计算机模拟由单体合成并暴露于选择性溶剂的IPN微凝胶中形成壳-冠结构的可能性。这些结果有助于更好地理解所需的实验条件以及诸如静态结构因子等数据的解释。

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