Hierarchical excluded volume screening in solutions of bottlebrush polymers.
Hierarchical excluded volume screening in solutions of bottlebrush polymers.
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DOI：
10.1039/c7sm01968h
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发表时间：
2017-08
期刊：
影响因子：
3.4
通讯作者：
J. Paturej;T. Kreer
中科院分区：
文献类型：
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作者：
J. Paturej;T. Kreer
聚合物瓶刷提供了有趣的功能是相关的性质和合成系统。虽然它们在关节软骨中的存在优化了滑膜关节润滑，但瓶刷为迷人的应用提供了途径，例如超软弹性体或药物输送。然而，目前的理论理解缺乏完整性，主要是由于许多长度尺度的复杂相互作用。在这里，我们开发了一个分析模型，演示了瓶刷的结构特性如何取决于浓度，从稀溶液到高度浓缩的熔体。我们的模型的有效性是支持广泛的分子动力学模拟的数据。我们表明，瓶刷的层次结构决定了一系列的构象变化，作为溶液浓度的增加。该效果是介导的筛选排除体积相互作用在随后的结构部分的瓶刷。我们的研究结果提供了重要的见解，应该能够改进基于聚合物瓶刷的建筑设计的新型材料的定制。
Polymer bottlebrushes provide intriguing features being relevant both in nature and in synthetic systems. While their presence in the articular cartilage optimizes synovial joint lubrication, bottlebrushes offer pathways for fascinating applications, such as within super-soft elastomers or for drug delivery. However, the current theoretical understanding lacks completeness, primarily due to the complicated interplay of many length scales. Herein, we develop an analytical model that demonstrates how structural properties of bottlebrushes depend on the concentration, ranging from dilute solutions to highly concentrated melts. The validity of our model is supported by data from extensive molecular dynamics simulations. We demonstrate that the hierarchical structure of bottlebrushes dictates a sequence of conformational changes as the solution concentration increases. The effect is mediated by screening of excluded volume interactions at subsequent structural parts of the bottlebrushes. Our findings provide important insights that should enable improved customization of novel materials based on the architectural design of polymer bottlebrushes.