采用动态密度泛函理论,对本体为球状相的嵌段共聚物受限于方拄中的相行为进行了模拟研究。考察了在不同受限空间和不同表面场下嵌段共聚物的相转变。许多新颖的不同于本体的有序结构被发现,如浸润相、单排球、双螺旋球、四角排列的柱、方筒层、圆筒层、波浪层等。讨论和比较了相应的结果,这些有趣的相结构对新材料的制备提供了帮助。
Using dynamic density functional theory(DDFT), the phase behavior of sphere-forming block copolymers confined in a square well was simulated. How to change the phases of the block copolymers confined in different spaces at different surface fields was studied. The morphologies deviating from the bulk sphere-forming structure were revealed, including wetting phase, a chain of spheres, spheres arranged in double helixes, a square array of cylinders, a squared layer, a cylindrical layer, an undulated layer. These interesting microstructures are helpful in manufacturing new material.