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平面壁附近高分子链的尺寸和形状

黄建花; 胡慧俊; 蒋文华; 韩世钧   

  1. Department of Chemistry, Zhejiang University, Hangzhou 310027,China
  • 收稿日期:1900-01-01 修回日期:1900-01-01 出版日期:2002-10-28 发布日期:2002-10-28
  • 通讯作者: 黄建花

Size and Shape of Polymer Chain near a Flat Surface

HUANG Jianhua; HU Huijun; JIANG Wenhua; HAN Shijun   

  1. Department of Chemistry, Zhejiang University, Hangzhou 310027,China
  • Received:1900-01-01 Revised:1900-01-01 Online:2002-10-28 Published:2002-10-28
  • Contact: HUANG Jianhua

摘要: The size and the shape of non-reversal random-walking polymer chains near an impenetrable,
non-interacting flat surface are investigated by means of Monte Carlo simulation on the
simple cubic lattice. It wasfound that both size and shape are dependent on the normal-to-
surface distance z0 of the first segment of chain. Wefind that the size and shape of
chains, characterized by mean square radius of gyration and mean asphericityparameter
respectively, show similar dependence on distance z0. Both and reach the
maximum atz0 = 0, then decrease with the increase of z0 and soon reach the minimum values,
afterwards they go up continuouslyand approach to the limit values of free chain. The
similar dependence of and
on z0 can be explained by apositive correlation between
A and S2. However, the dependence of the correlation coefficient CA,S2 on z0 is
verycomplicated and deserves further study. The overall density probability of segments is
also investigated. Resultsshow that segments near the surface are relatively less, and the
symmetrical distribution disappears when the chainlocates near the surface.

关键词: polymer;geometric constraint;size and shape;correlation;Monte Carlo simulation

Abstract: The size and the shape of non-reversal random-walking polymer chains near an impenetrable,
non-interacting flat surface are investigated by means of Monte Carlo simulation on the
simple cubic lattice. It wasfound that both size and shape are dependent on the normal-to-
surface distance z0 of the first segment of chain. Wefind that the size and shape of
chains, characterized by mean square radius of gyration and mean asphericityparameter
respectively, show similar dependence on distance z0. Both and reach the
maximum atz0 = 0, then decrease with the increase of z0 and soon reach the minimum values,
afterwards they go up continuouslyand approach to the limit values of free chain. The
similar dependence of and
on z0 can be explained by apositive correlation between
A and S2. However, the dependence of the correlation coefficient CA,S2 on z0 is
verycomplicated and deserves further study. The overall density probability of segments is
also investigated. Resultsshow that segments near the surface are relatively less, and the
symmetrical distribution disappears when the chainlocates near the surface.

Key words: polymer, geometric constraint, size and shape, correlation, Monte Carlo simulation