Entropic Repulsion and Local Order in Doubly Tethered Polymers on a Surface

IF 1.8 4区 工程技术 Q3 POLYMER SCIENCE
Min Chu, Dieter W. Heermann
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引用次数: 0

Abstract

The behavior of (athermal) mobile doubly tethered polymers (ring-like in 3D) is investigated, on a 2D substrate using the bond fluctuation model. The end-monomers can move laterally within a constrained distance range. Conformational properties of loop polymers are analyzed and specifically the ordering of the 2D system of end-monomers. For this, the director is considered between the end-monomers for local ordering. As tethering density increases, a transition from mushroom-like conformations to nearly upright structures is observed, as is the case for linear grafted polymers. The effects of loop repulsion are explored, i.e., entropic repulsion, and tethering density on the order parameter and orientational correlations of the directors in 2D. Despite the lack of a global phase transition, local orientational order emerges in 2D due to loop interactions in 3D.

表面上双系链聚合物的熵排斥和局部序
使用键波动模型研究了(非热)可移动双系绳聚合物(三维环状)在二维衬底上的行为。端单体可以在限定的距离范围内横向移动。分析了环状聚合物的构象性质,特别是端单体二维体系的有序性。为此,在端单体之间考虑定向以进行局部排序。随着栓接密度的增加,可以观察到从蘑菇状构象到几乎直立结构的转变,就像线性接枝聚合物的情况一样。探讨了环斥力,即熵斥力和系缚密度对二维指导者的序参量和取向相关性的影响。尽管缺乏全局相变,但由于三维中的环相互作用,局部定向顺序在二维中出现。
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
Macromolecular Theory and Simulations
Macromolecular Theory and Simulations 工程技术-高分子科学
CiteScore
3.00
自引率
14.30%
发文量
45
审稿时长
2 months
期刊介绍: Macromolecular Theory and Simulations is the only high-quality polymer science journal dedicated exclusively to theory and simulations, covering all aspects from macromolecular theory to advanced computer simulation techniques.
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