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三叶结半柔性环状聚合物的均方回转半径和散射函数

Mean-Square Radius of Gyration and Scattering Function of Semiflexible Ring Polymers of the Trefoil Knot.

作者信息

Abe Hiroki, Ida Daichi

机构信息

Department of Polymer Chemistry, Kyoto University, Katsura, Kyoto 615-8510, Japan.

出版信息

Polymers (Basel). 2016 Jul 27;8(8):271. doi: 10.3390/polym8080271.

DOI:10.3390/polym8080271
PMID:30974548
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6432251/
Abstract

A Monte Carlo study of the mean-square radius of gyration R g 2 and scattering function P ( k ) with the magnitude of the scattering vector for semiflexible ring polymers of the trefoil knot was conducted by the use of the discrete version of the Kratky⁻Porod (KP) wormlike ring model. The behavior of R g 2 and P ( k ) as functions of the reduced contour length λ L , defined as the total contour length divided by the stiffness parameter λ - 1 , is clarified. A comparison is made of the results for the KP ring of the trefoil knot with those for the KP ring of the trivial knot and for the phantom KP ring without the topological constraints.

摘要

利用Kratky⁻Porod(KP)蠕虫状环模型的离散形式,对三叶结半柔性环聚合物的均方回转半径(R_g^2)和散射函数(P(k))随散射矢量大小进行了蒙特卡罗研究。明确了(R_g^2)和(P(k))作为折合轮廓长度(\lambda_L)(定义为总轮廓长度除以刚度参数(\lambda^{-1}))的函数的行为。将三叶结的KP环的结果与平凡结的KP环以及无拓扑约束的理想KP环的结果进行了比较。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f05a/6432251/91e48e866766/polymers-08-00271-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f05a/6432251/52b9574673d1/polymers-08-00271-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f05a/6432251/bc75f0759004/polymers-08-00271-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f05a/6432251/a144e7a357d3/polymers-08-00271-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f05a/6432251/91e48e866766/polymers-08-00271-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f05a/6432251/52b9574673d1/polymers-08-00271-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f05a/6432251/bc75f0759004/polymers-08-00271-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f05a/6432251/a144e7a357d3/polymers-08-00271-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f05a/6432251/91e48e866766/polymers-08-00271-g004.jpg

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