化学学报 ›› 2003, Vol. 61 ›› Issue (8): 1180-1185. 上一篇    下一篇

研究论文

柔性高分子/小分子液晶混合物的自洽场理论

王家芳;张红东;邱枫;杨玉良   

  1. 复旦大学高分子科学系
  • 发布日期:2003-08-15

Self-consistent Field Theory of Mixtures of Flexible Polymers and Small Liquid Crystalline Molecules

Wang Jiafang;Zhang Hongdong;Qiu Feng;Yang Yuliang   

  1. Department of Macromolecular Science, Key Lab of Molecular Engineering of Polymers of Education MInistry, Fudan University
  • Published:2003-08-15

发展了柔性高分子/小分子液晶混合物连续自洽场理论,将小分子液晶模型化 为取向与位置无关的单体分子,小分子液晶间存在各向异性的Maier-Saupe相互作 用,该理论可还原成高分子和各向同性小分子组成的Flory-Huggins溶液理论和纯 液晶的Maier-Squpe液晶理论,通过数值解自洽场方程组,还将理论用于研究柔性 高分子/小分子液晶混合物相分离开界面性质,得到的结果与用Helfand格子界面理 论和MOnte Carlo模拟的结果一致。

关键词: 自洽场理论, 液晶, 蒙特卡罗模拟, 各向异性, 液晶

The continuum self-consistent field theory on mixtures of flexible polymers and small liquid crystalline molecules is developed. Small liquid ciystalline molecules are modeled as monomers with orientations independent of their positions and Maier-Saupe anisotropic interaction between small liquid ciystalline molecules is considered. For homogeneous case, the self-consistent field theory is reduced into Flory-Huggins solution theory and Maier-Saupe liquid crystal theory. The theory is applied to study the interfacial properties in mixtures of flexible polymers and small liquid crystalline molecules by solving the self-consistent field equation set numerically. The basic results are consistent with those obtained by Helfand lattice interface theory and lattice Monte Carlo simulation.

Key words: self-consistent field theory, LIQUID CRYSTAL, MONTECARLO SIMULATIONS, ANISOTROPY, LIQUID CRYSTAL

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