不对称两嵌段共聚物熔体在平板狭缝中微相分离的Monte Carlo模拟

Monte Carlo Simulation for the Microphase Separation of Asymmetric Diblock Copolymer Melts Confined Between Two Surfaces

采用改进的键长涨落空穴扩散算法对平板狭缝中不对称两嵌段共聚高分子熔体的微相分离进行了MonteCarlo模拟。模拟结果表明 :在强吸引壁条件下 ,靠近壁面处将形成平行于壁面的层状相 ;在弱吸引壁条件下 ,靠近壁面处将形成垂直于壁面的层状相 ;不对称共聚物在远离壁面处有丰富的微区形态。从结构因子上分析可知 ,弱吸引壁条件下不对称共聚物的结构比强吸引壁条件下更接近对称共聚物。

Using the bond-fluctuation-model and vacancy-diffusion-algorithm, the microphase separation of asymmetric diblock copolymer confined between two hard surfaces have been simulated by Monte Carlo method. The result shows that there are lamellas parallel to surfaces for strong attractive walls and domain perpendicular to surfaces are formed for weak attractive walls. Under both kinds of conditions, there is plentiful domain appearance far from surfaces in asymmetric system. As shown in structure factors, the character of structure of asymmetric system for weak attractive walls is closer to character of symmetric system than that for strong walls.