Orientational Cross-Correlation in Entangled Binary Blends in Primitive Chain Network Simulations
Orientational Cross-Correlation in Entangled Binary Blends in Primitive Chain Network Simulations
复制标题
原链网络模拟中纠缠二元混合中的方向互相关
DOI：
10.1021/acs.macromol.6b01642
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发表时间：
2016
期刊：
影响因子：
5.5
通讯作者：
Y. Amamoto
中科院分区：
文献类型：
--
作者：
Y. Masubuchi;Y. Amamoto
分子动力学模拟表明，取向互相关（OCC）对聚合物的弛豫模量有显著的影响。值得注意的是，已经发现OCC贡献对于未缠结聚合物的分子量甚至其分布是普遍的[Cao; Likhtman Phys.Rev.Lett. 2010，104，207801]。在这项研究中，在纠缠的双分散聚合物熔体的OCC多链滑动链接模拟评估。所得OCC的强度与单分散体系中的OCC相似。另一方面，时间发展反映了短链和长链的运动，因此当两种组分的分子量分离良好且长链分数较小时，未观察到普遍性。通过与另一种滑移链模型的比较，我们发现这种互相关是由力的平衡和纠缠的涨落引起的。
It has been reported from the molecular dynamics simulation that the orientational cross-correlation (OCC) has a significant contribution to the relaxation modulus of polymers. Remarkably, the OCC contribution has been found to be universal with respect to the molecular weight and even to its distribution for unentangled polymers [Cao; Likhtman Phys. Rev. Lett. 2010, 104, 207801]. In this study, the OCC in entangled bidisperse polymer melts was evaluated by multichain slip-link simulations. The obtained OCC was similar to that in monodisperse systems in its intensity. On the other hand, the time development reflected the motion of short and long chains, and consequently the universality was not observed when the molecular weights of two components are well-separated and the long chain fraction is small. Comparison to the results obtained by the other slip-link model suggests that the cross-correlation is induced by the force balance and the fluctuation at the entanglement.