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采用模拟退火方法系统研究了对称两嵌段共聚物AB/均聚物A或C混合体系受限在球形纳米孔内的自组装行为.结果表明,体系的自组装结构受均聚物含量、均聚物链长、受限尺度以及A-C间相互作用强度的影响.随着均聚物含量的变化,体系可形成多种自组装结构,包括类洋葱层、笼状、类拱顶状、螺旋状、堆叠圆盘和圆环、平层、及球状结构.当A-C单体间相互作用强度较弱时,均聚物链长越短,混合体系的相容性就越好;且随着均聚物链长的增加,相应的结构出现在较高均聚物含量值.当A-C单体间相互作用强度较强时,均聚物链长对相容性的影响消失.模拟结果与近期类似体系的实验结果有着较好的吻合.
The self-assembly behaviors of the symmetric diblock copolymer AB / homopolymer A or C mixed system in the spherical nanopore were systematically investigated by simulated annealing method.The results show that the self-assembly structure of the system is affected by the homopolymer content, Polymer chain length, restricted scale and the interaction strength between AC.With the content of homopolymer, the system can form a variety of self-assembled structures, including onion-like layer, cage-like, dome-like, , Stacking disks and rings, flat layers, and spherical structures.When the interaction strength between AC monomers is weak, the shorter the homopolymer chain length, the better the compatibility of the mixed system; and with the homopolymerization The chain length increases and the corresponding structure appears at the higher homopolymer content value.When the interaction strength between AC monomers is strong, the influence of homopolymer chain length on the compatibility disappears.The simulation results are similar to those of the recent similar systems The result is a good match.