针对一系列疏溶剂嵌段与溶剂间的相互作用,用模拟退火方法研究了双亲半柔性两嵌段共聚物在溶液中的自组装形态.模拟结果显示共聚物在溶液中均形成核一壳聚集体,其中疏溶剂嵌段形成聚集体的核,亲溶剂嵌段形成聚集体的壳.当上述相互作用较小时,核呈球形,而壳如同长在核上的刺.随着上述相互作用的增大,核逐渐增大.在较大的相互作用时,核呈柱形;而随着相互作用的加大,长在核上的刺逐渐伏贴于核表面.在更大的相互作用时,核又呈球状,壳伏贴于核表面.
The simulated annealing method was applied to study the self-assembling morphologies of amphiphilic, semi-flexible diblock copolymers in solution with a series of interactions between the core-forming blocks and the solvents. The simulation results illustrated that the core-corona aggregates were formed in all cases. The spherical micelles with thorns on the surface are formed when the interaction parameter is small. And the spherical micelles increase in size with the increase of the interactions. Rod-like micelles with thorns on the surface are formed when the interaction parameter increases. And the thorns on the surface gradually tailed off with the further increase of the interactions. The bigger spherical micelles without thorns on the surface are formed when the interaction parameter increases further .