环状星形聚合物的构象和拓扑结构

Davide Breoni, Emanuele Locatelli, Luca Tubiana
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引用次数: 0

摘要

我们研究了环状星形聚合物的构象和拓扑特性,这些聚合物有 f 个环臂,每个环臂由 n 个珠子组成。我们发现,无连接环状星形聚合物的构象特性与每个环臂由 n/2 美元珠子组成的 2f 美元线性星形聚合物的构象特性是一致的。当星形聚合物的拓扑结构(以臂间的链接程度来衡量)发生变化时,这种相容性就会消失。事实上,当允许链接时,我们会注意到回旋半径会随着臂的绝对链接数的增加而减小,而与引入链接的协议无关。此外,正如径向密度函数所强调的那样,这些大分子的内部结构在$\vert Lk \vert$值较大时会发生定性变化。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Conformation and topology of cyclical star polymers
We study the conformation and topological properties of cyclical star polymers with $f$ ring arms, each made of $n$ beads. We find that the conformational properties of unlinked cyclical star polymers are compatible to those of linear star polymers with $2f$ arms made of $n/2$ beads each. This compatibility vanishes when the topology of the star, measured as the degree of linking between arms, changes. In fact, when links are allowed we notice that the gyration radius decreases as a function of the absolute linking number $\vert Lk \vert$ of the arms, regardless of the protocol that is employed to introduce said links. Furthermore, the internal structure of the macromolecules, as highlighted by the radial density function, changes qualitatively for large values of $\vert Lk \vert$.
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