柔性高分子/小分子液晶混合物的自洽场理论

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

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 Saupe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界面性质 .

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.