The selectivity of nanoparticles for polydispersed ligand chains during the grafting-to process: a computer simulation study
The selectivity of nanoparticles for polydispersed ligand chains during the grafting-to process: a computer simulation study
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接枝过程中纳米颗粒对多分散配体链的选择性：计算机模拟研究
DOI：
10.1039/c7cp07818h
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发表时间：
2018
影响因子：
3.3
通讯作者：
Xue Yao-Hong
中科院分区：
文献类型：
--
作者：
Xing Ji-Yuan;Lu Zhong-Yuan;Liu Hong;Xue Yao-Hong
通过构建多分散聚合物链与纳米颗粒（NPs）的接枝反应模型，阐明了接枝密度、多分散指数和接枝配体链的链长分布随聚合物链的变化规律.我们的研究表明，线性依赖的平均链长度的进料聚合物的接枝密度。我们还清楚地证明了NP的选择性短链在反应的后期阶段。我们的研究结果还表明，每个单独的NP上的配体链的多分散性通常高于进料聚合物链。此外，模拟表明，多分散的聚合物链更容易绑定在接枝过程中相比，单分散的链。因此，进料聚合物链的相对较高的多分散性有利于提高纳米粒子的接枝密度。我们的研究有助于阐明链多分散性的原因，并可以作为指导，以精细调控纳米粒子上的配体链的多分散性。
By constructing a grafting-to reaction model of polydispersed polymer chains to bind onto nanoparticles (NPs), we elucidate the changes of grafting density, polydispersity index and chain length distribution of grafted ligand chains as a dependent of the feeding polymer chains. Our study shows a linear dependence of the grafting density on the average chain length of the feeding polymers. We also clearly demonstrate the NP's selectivity of short chains in the later stage of the reaction. Our results also show that the polydispersity of the ligand chains on each individual NP is commonly higher than that of the feeding polymer chains. Furthermore, the simulations imply that polydispersed polymer chains are more easily bound during the grafting-to process compared to monodispersed chains. Thus, relatively higher polydispersity of feeding polymer chains are beneficial to promoting the grafting density of NPs. Our study helps to elucidate the cause of chain polydispersity and could act as a guide to finely regulate the polydispersity of ligand chains on nanoparticles.