ABA两亲性嵌段共聚物在双选择性溶剂中自组装行为的Monte Carlo模拟

• 作 者: 樊娟娟 韩媛媛 姜伟
• 机 构: 中国科学院长春应用化学研究所高分子物理与化学国家重点实验室,中国科学院研究生院,吉林农业大学信息技术学院,
• 出 处: 化学学报
• 发表日期: 2011年19期
• 关键词: binary block-selective solvents amphiphilic triblock copolymer self-assembly Mon

采用Monte Carlo模拟方法研究了ABA两亲性三嵌段共聚物在两种选择性溶剂中的自组装行为.模拟结果表明,在保证溶剂总浓度一定的情况下,改变两种选择性溶剂的体积比对于ABA两亲性嵌段共聚物自组装所形成的胶束形貌结构有很大影响.随着双选择性溶剂体积比的改变,体系中胶束形貌结构将会发生由囊泡到层状,再到环状、棒状直至球状的一系列转变.通过与ABA两亲性嵌段共聚物在单一选择性溶剂中的自组装行为进行比较发现:改变双选择性溶剂的体积比对于体系胶束形貌结构的影响与在单一选择性溶剂中改变疏水作用具有等同效果.此外,针对体系中囊泡以及环状胶束自组装动力学过程的研究发现:囊泡状胶束是由片层状胶束弯曲闭合形成,而环状胶束则是由片层状胶束从中间塌陷形成.

The Monte Carlo simulation method was used to study the self-assembly behavior of amphiphilic triblock copolymers of ABA in two selective solvents. The simulation results show that the volume of the two selective solvents can be varied with a certain concentration of solvent Has a great influence on the morphology of micelles formed by the self-assembly of ABA amphiphilic block copolymers.With the change of volume ratio of double-selective solvent, the micellar morphology in the system will occur from vesicles to Layered, and then to ring, rod-to-sphere transformation.By comparison with the self-assembly behavior of ABA amphiphilic block copolymers in a single selective solvent, it was found that changing the volume ratio of the bisselective solvent to the system The effect of micellar topography is equivalent to that of hydrophobic interaction in a single selective solvent.In addition, aiming at the dynamics of vesicles and cyclic micelles self-assembly kinetics in the system, vesicle-like micelles are composed of Layered micelles bend and form closed, while the annular micelles are formed by lamellar micelles that collapse from the middle.