The structure of brushes made of dendrimers: Recent advances

The structure of brushes made of dendrimers: Recent advances
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由树枝状聚合物制成的刷子的结构:最新进展

DOI:
10.1016/j.polymer.2016.03.018
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发表时间:
2016-08
期刊:
影响因子:
4.6
通讯作者:
Jens-Uwe Sommer
Jens-Uwe Sommer
中科院分区:
化学2区
文献类型:
--
作者:
Cheng-Wu Li;Holger Merlitz;Chen-Xu Wu;Jens-Uwe Sommer

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在最近的出版物中,提出了几种理论模型来描述由树枝状聚合物组成的刷的结构,从简单的缩放方法和盒状平均场模型到自洽场技术。在这项工作中,我们在各种密度范围内进行分子动力学模拟,并将所得数据与最新理论模型的预测进行比较。这项研究使我们能够了解各个模型的有效性和准确性范围以及它们的缺点。在不同模型中的弹性性质的背景下观察和分析了树枝状聚合物的预测构象的显着差异。这项工作为未来的研究方向提供了指导,这可能会导致对支化聚合物刷的理解进一步进展。
In recent publications, a couple of theoretical models, ranging from simple scaling approaches and box-like mean-field models to self-consistent field techniques, have been proposed to describe the structure of brushes that are composed of dendrimers. In this work, we carry out molecular dynamics simulations in various density regimes, and compare the resulting data with predictions of the latest theoretical models. This study enables us to access the ranges of validity and accuracy of the respective models, as well as their shortcomings. Significant differences in the predicted conformations of the dendrimers are observed and analyzed in the context of their elastic properties in the different models. This work offers guidelines for future research directions, which may lead to further progress regarding the understanding of branched polymer brushes.
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