Finding the Tube with Isoconfigurational Averaging

被引：54

作者：

Bisbee, Windsor ^{[1
]}

Qin, Jian ^{[1
]}

Milner, Scott T. ^{[1
]}

机构：

[1] Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA

来源：

MACROMOLECULES | 2011年 / 44卷 / 22期

关键词：

LINEAR POLYMER MELTS; DYNAMICS; PATH; ENTANGLEMENTS; DIAMETER;

D O I：

10.1021/ma2012333

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

In an entangled polymer melt or solution, the uncrossability of chains effectively restricts a given chain to move within a confining tube. In this work, we find the tube for a simulated melt of topologically equilibrated rings by averaging chain trajectories over a short time interval, combined with "isoconfigurational" averaging over initial velocities for the same starting configuration. This method allows us to nondestructively image the tube and determine its shape, confining potential, and statistical properties. Using this approach, we investigated the effects of a free surface; we find that tube segments within a few tube diameters of the surface have increased tube diameters by about 25%, and strongly tend to lie parallel to the surface.

引用

页码：8972 / 8980

页数：9

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