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半柔性带状聚合物的统计力学

Statistical mechanics of semiflexible ribbon polymers.

作者信息

Golestanian R, Liverpool T B

机构信息

Max-Planck-Institut für Polymerforschung, D-55021 Mainz, Germany.

出版信息

Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics. 2000 Oct;62(4 Pt B):5488-99. doi: 10.1103/physreve.62.5488.

Abstract

The statistical mechanics of a ribbon polymer made up of two semiflexible chains is studied using both analytical techniques and simulation. The system is found to have a crossover transition at some finite temperature, from one type of short-range order to a fundamentally different sort of short-range order. In the high temperature regime, the two-point correlation functions of the object are identical to wormlike chains, while in the low temperature regime they are different due to a twist structure. The crossover happens when the persistence length of individual strands becomes comparable to the thickness of the ribbon. In the low temperature regime, the ribbon is observed to have a "kink-rod" structure with a mutual exclusion of twist and bend in contrast to smooth wormlike chain behavior. This is due to its anisotropic rigidity and corresponds to an infinitely strong twist-bend coupling. The double-stranded polymer is also studied in a confined geometry. It is shown that when the polymer is restricted in a particular direction to a size less than the bare persistence length of the individual strands, it develops zigzag conformations which are indicated by an oscillatory tangent-tangent correlation function in the direction of confinement. Increasing the separation of the confining plates leads to a crossover to the free behavior, which takes place at separations close to the bare persistence length. These results are expected to be relevant for experiments that involve complexation of two or more stiff or semiflexible polymers.

摘要

利用分析技术和模拟研究了由两条半柔性链组成的带状聚合物的统计力学。发现该系统在某个有限温度下存在交叉转变,从一种短程有序转变为一种本质上不同的短程有序。在高温区域,该物体的两点关联函数与蠕虫状链相同,而在低温区域,由于扭曲结构,它们有所不同。当单链的持久长度与带的厚度相当时,就会发生交叉。在低温区域,观察到带具有“扭结 - 杆”结构,与光滑的蠕虫状链行为相反,存在扭曲和弯曲的相互排斥。这是由于其各向异性刚性,对应于无限强的扭曲 - 弯曲耦合。还研究了双链聚合物在受限几何结构中的情况。结果表明,当聚合物在特定方向上被限制在小于单链裸持久长度的尺寸时,它会形成锯齿状构象,这由在限制方向上的振荡切向 - 切向关联函数表示。增加限制板之间的间距会导致向自由行为的交叉,该交叉发生在接近裸持久长度的间距处。这些结果预计与涉及两种或更多种刚性或半柔性聚合物络合的实验相关。

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