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化学学报
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化学学报 ›› 1988, Vol. 46 ›› Issue (2): 165-171. 上一篇    下一篇

研究论文

聚合物链构象的研究I: 1,2-聚丁二烯的构象分析

周子南;冯之榴   

  1. 中国科学院长春应用化学研究所
  • 发布日期:1988-02-15

Study on the chain conformation of polymers I: Conformational analysis of 1,2-polybutadiene

ZHOU ZINAN;FENG ZHILIU   

  • Published:1988-02-15

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493

被引次数

1

本文应用Flory的链分子统计理论研究1,2-聚丁二烯的链构象,选择固定键长和键角的分子模型,计算构象能,构成势能面图,并由势能面的构型积分,得到了表征1,2-聚丁二烯链构象特征的统计权重矩阵.

关键词: 结构分析, 高聚物, 聚丁二烯, 链结构, 构象, 统计模型

Two approxns. were made for the vinyl group in the conformational anal. of 1,2-polybutadiene (I): (a) the contribution of the double bond was shared by 2 olefinic carbons and (b) the vinyl group was considered to be spherical in other cases. Conformational energies of meso and racemic dyads of I were computed as function of rotational angles around the skeletal bond. The contours of I were constructed primarily. Truncations did not give evident changes for the topog. and potential surface in the calculation of conformational energies. A simple 3-state scheme was applied to I and the statistical wt. factors were obtained by configurational integral.

Key words: STRUCTURAL ANALYSIS, HIGHPOLYMER, POLYBUTADIENE, CHAIN STRUCTURE, CONFORMATION, STATISTICAL MODEL

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