不对称二聚物粒子在两嵌段共聚物形成的支撑膜上的自组装

结合自洽场理论和密度泛函理论，研究了不对称的二聚物粒子在AB两嵌段共聚物形成的支撑膜上的自组装行为. 不对称的二聚物粒子是由两个不同的球组成的两性分子. 其中一个球与A嵌段相亲，另外一个喜欢B嵌段. 不对称粒子能在支撑膜上形成一个双层结构. 由于衬底的存在，所形成的支撑膜上下两叶的对称性被破坏，导致了二聚物粒子在膜上形成的结构也变的不对称. 随着二聚物粒子浓度的增加，在膜上的二聚物粒子的结构将发生变化，从稀四方、六角、密四方再到圆柱结构. 在一个高浓度的密堆积下，二聚物粒子将形成弯曲的圆柱结构. 在支撑膜

Self-assembly of Asymmetric Dimer Particles in Supported Copolymer Bilayer

Using self-consistent field and density functional theories, we investigate the self-assembly behavior of asymmetric dimer particles in a supported AB block copolymer bilayer. Asym-metric dimer particles are amphiphilic molecules composed by two different spheres. One prefers to A block of copolymers and the other likes B block when they are introduced into the copolymer bilayer. The two layer structure of the dimer particles is formed within the bilayer. Due to the presence of the substrate surface, the symmetry of the two leaflets of the bilayer is broken, which may lead to two different layer structures of dimer particles within each leaflet of the bilayer. With the increasing concentration of the asymmetric dimer particles, in-plane structure of the dimer particles undergoes sparse square, hexagonal, dense square, and cylindrical structures. In a further condensed packing, a bending cylindrical structure comes into being. Here we verify that the entropic effect of copolymers, the enthalpy of the system and the steric repulsion of the dimer particles are three important factors determing the self-assembly of dimer particles within the supported copolymer bilayer.