The Dynamic Behavior of a Single Semiflexible Ring Chain in a Linear Polymer Matrix

Xiaolin Zhou, Yifan Qin
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Abstract

We studied the dynamic behavior of a single semiflexible ring in linear chain matrix based on a coarse-grained model using the molecular dynamics simulation approach. We found that that ring chains’ hollow centers are frequently filled with linear chains. However, as the rigidity of the linear chains increases, the linear chains arranged parallel to each other and the ring chain are temporary caged. As a result, the swing movement in the normal direction of the ring is significantly limited, and the relaxation time in the normal direction increases significantly. Our findings can help to understand the physical mechanism of the movement of the ring chain in ring–linear polymer blends at the microscopic level.
线性聚合物基体中单个半柔性环链的动力学行为
基于粗粒度模型,采用分子动力学模拟方法研究了线性链矩阵中单个半柔性环的动力学行为。我们发现环链的空心中心经常被线性链填充。然而,随着线性链刚度的增加,平行排列的线性链和环形链被临时笼化。因此,环在法向上的摆动运动明显受限,在法向上的松弛时间明显增加。我们的发现有助于在微观水平上理解环线型聚合物共混物中环链运动的物理机制。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
1.60
自引率
0.00%
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