Local Chain Segregation and Entanglements in a Confined Polymer Melt
Local Chain Segregation and Entanglements in a Confined Polymer Melt
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DOI：
10.1103/physrevlett.118.067802
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发表时间：
2017-02-08
影响因子：
8.6
通讯作者：
Johner, Albert
中科院分区：
文献类型：
--
作者：
Lee, Nam-Kyung;Diddens, Diddo;Johner, Albert
由de Gennes和Edwards引入的爬行机制，其中聚合物沿沿着蓬松的管扩散，由其周围环境施加的约束限定，令人信服地描述了长聚合物在浓溶液和熔体中的松弛。我们建议，规模的管直径是由本地链偏析，我们研究分析。我们发现，局部隔离的概念是特别可操作的受限的几何形状，隔离延伸overmesoscopic域，大大减少二进制接触，并提供一个估计的纠缠长度。我们的预测定量支持广泛的分子动力学模拟系统组成的长，纠缠链。
The reptation mechanism, introduced by de Gennes and Edwards, where a polymer diffuses along a fluffy tube, defined by the constraints imposed by its surroundings, convincingly describes the relaxation of long polymers in concentrated solutions and melts. We propose that the scale for the tube diameter is set by local chain segregation, which we study analytically. We show that the concept of local segregation is especially operational for confined geometries, where segregation extends overmesoscopic domains, drastically reducing binary contacts, and provide an estimate of the entanglement length. Our predictions are quantitatively supported by extensive molecular dynamics simulations on systems consisting of long, entangled chains.