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柔性高分子/小分子液晶混合物的自洽场理论
引用本文:王家芳,张红东,邱枫,杨玉良.柔性高分子/小分子液晶混合物的自洽场理论[J].化学学报,2003,61(8):1180-1185.
作者姓名:王家芳  张红东  邱枫  杨玉良
作者单位:复旦大学高分子科学系聚合物分子工程教育部重点实验室,上海,200433
基金项目:国家自然科学基金 (Nos.2 0 0 0 4 0 0 2 ,1 9832 0 50 ),国家重大基础研究规划 (No .G1 9990 6480 0 ),全国优秀博士论文作者专项基金资助项目
摘    要: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
修稿时间:2003年1月26日

Self-consistent Field Theory of Mixtures of Flexible Polymers and Small Liquid Crystalline Molecules
Institution:Department of Macromolecular Science, Key Lab of Molecular Engineering of Polymers of Education MInistry, Fudan University
Abstract:The continuum self-consistent field theory on mixtures of flexible polymers and small liquid crystalline molecules is developed. Small liquid crystalline molecules are modeled as monomers with orientations independent of their positions and Maier-Saupe anisotropic interaction between small liquid crystalline 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.
Keywords:self-consistent field theory  interface  flexible polymer  liquid crystal
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