高等学校化学学报

高等学校化学学报 ›› 2002, Vol. 23 ›› Issue (3): 511.

• 研究简报 • 上一篇    下一篇

聚亚甲基链在弹性形变时的链段取向研究

章林溪1, 黄有兴1, 赵得禄2   

  1. 1. 浙江大学物理系, 杭州 310028;
    2. 中国科学院化学研究所分子科学中心, 高分子物理实验室, 北京 100080
  • 收稿日期:2000-12-22 出版日期:2002-03-24 发布日期:2002-03-24
  • 通讯作者: 章林溪(1966年出生),男,教授,从事高分子凝聚态物理研究.E-mail:zhanglx@mail.hz.zj.cn E-mail:zhanglx@mail.hz.zj.cn
  • 基金资助:

    国家自然科学基金(批准号:29874021);国家重点专项基金(批准号:95-预-12;G1999064800)资助

A Study of Molecular Orientation of Polymethylene Chains

ZHANG Lin-Xi1, HUANG You-Xing1, ZHAO De-Lu2   

  1. 1. Department of Physics, Zhejiang University, Hangzhou 310028, China;
    2. Center of Molecular Science, Polymer Physics Laboratory, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, China
  • Received:2000-12-22 Online:2002-03-24 Published:2002-03-24

PDF (PC)

被引次数

1

关键词: 聚亚甲基链, 链段取向, 弹性形变, 旋转异构态模型

Abstract: In this paper, molecular orientation behavior of polymethylene chains was investigated on the basis of considering long-distance interactions by using the enumeration calculation method and the rotational isomeric state(RIS) model. The chain lengths are from N=12 to N=24, and the Lennord-Jennes potential was adopted in the nonlocal interaction calculations. The molecular orientation function(Legen-dre polynomial) may be well expressed as <P2(ζ)>/(λ2-λ-1)=a(λ2-λ-1)+b here a and b only depend on the chain length, and decrease with the increase of chain length, especially for b. In the meantime, we also calculate the Helmholtz free energy change in the process of tensile deformation. Comparisons with Gaussian chains are made, and our results are close to those obtained from the Roe and Krigbaum theory.

Key words: Polymethylene chain, Molecular orientation, Elastic deformation, Rotation isomer state model

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