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聚合物刷的标度概念及其计算机模拟测试

Scaling concepts for polymer brushes and their test with computer simulation.

作者信息

Binder K

机构信息

Institut für Physik, Johannes Gutenberg-Universität Mainz, Staudinger Weg 7, 55099 Mainz, Germany.

出版信息

Eur Phys J E Soft Matter. 2002 Nov;9(3):293-8. doi: 10.1140/epje/i2002-10076-2.

Abstract

After a brief review of the scaling concepts for static and dynamic properties of polymer brushes in good solvents and Theta solvents, the Monte Carlo evidence is discussed. It is shown that under typical conditions the diameter of the last blob is of the order of 10-20% of the brush height, and therefore pronounced deviations from the self-consistent field predictions occur. In bad solvents, lateral microphase separation occurs leading to an irregular pattern of "dimples". Particularly interesting is the response of brushes to shear deformation, and the interaction between two interpenetrating brushes. Recent attempts to understand the resulting shear forces via molecular-dynamics simulations are briefly described, and an outlook on related experiments is given.

摘要

在简要回顾了聚合物刷在良溶剂和θ溶剂中静态和动态性质的标度概念之后,讨论了蒙特卡罗证据。结果表明,在典型条件下,最后一个链段的直径约为刷高的10%-20%,因此与自洽场预测存在明显偏差。在不良溶剂中,会发生横向微相分离,导致出现不规则的“凹坑”图案。特别有趣的是聚合物刷对剪切变形的响应以及两个互穿聚合物刷之间的相互作用。简要描述了最近通过分子动力学模拟理解由此产生的剪切力的尝试,并对相关实验进行了展望。

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