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基于单链平均场理论中蠕虫状链模型的聚合物晶体折叠链表面的局部交换模型。

A Local-Exchange Model of Folding Chain Surface of Polymer Crystal Based on Worm-Like Chain Model within Single-Chain in Mean-Field Theory.

作者信息

Xiao Hongyi, Zhang Xinghua, Yan Dadong

机构信息

Department of Physics, Beijing Normal University, Beijing 100875, China.

School of Science, Beijing Jiaotong University, Beijing 100044, China.

出版信息

Polymers (Basel). 2020 Oct 30;12(11):2555. doi: 10.3390/polym12112555.

DOI:10.3390/polym12112555
PMID:33143387
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7693907/
Abstract

The structure of amorphous layer of folding surface controls the properties of the polymer lamellar crystal, which consists of chains with a loop conformation. The surface tension depends on the length and the distance between two injection points of the loop which involving the reptation motion and lateral exchange motion of the stems. In the present work, a local-exchange motion model based on the worm-like chain model is developed to investigate the effects of lateral motion of stems on the release the surface tension. The optimal distance between two injection points is determined by the balance of chain bending energy and conformational entropy. The numerical results provide evidences to the adjacent re-entry model for various loop lengths. A possible explanation involving density of injection points is proposed to interpret the mechanism.

摘要

折叠表面非晶层的结构控制着由具有环构象链组成的聚合物片晶的性能。表面张力取决于环的长度以及两个注入点之间的距离,这涉及到链段的蛇形运动和横向交换运动。在本工作中,基于蠕虫状链模型开发了一个局部交换运动模型,以研究链段横向运动对表面张力释放的影响。两个注入点之间的最佳距离由链弯曲能和构象熵的平衡决定。数值结果为各种环长度的相邻再入模型提供了证据。提出了一种涉及注入点密度的可能解释来阐释该机制。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/7693907/a63782bace44/polymers-12-02555-g011.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/7693907/0d60b2ecf437/polymers-12-02555-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/7693907/a63782bace44/polymers-12-02555-g011.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/7693907/0395bcd84972/polymers-12-02555-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/7693907/6aca5dfa365a/polymers-12-02555-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/7693907/7aa351599fe0/polymers-12-02555-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/7693907/f8a659ea973f/polymers-12-02555-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/7693907/1c6b0b8a0f15/polymers-12-02555-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/7693907/1420f85bfc01/polymers-12-02555-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/7693907/0d60b2ecf437/polymers-12-02555-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/7693907/a63782bace44/polymers-12-02555-g011.jpg

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本文引用的文献

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Crystallization of Bulk Polymers With Chain Folding: Theory of Growth of Lamellar Spherulites.具有链折叠的本体聚合物结晶:片晶球晶生长理论
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