嵌段序列对聚合物囊泡形成过程影响的Monte Carlo模拟-Jiang Wei

采用Monte Carlo模拟方法研究了具有相同链长和组分比的不同嵌段序列AB两嵌段共聚物与ABA三嵌段共聚物在选择性溶剂中形成囊泡的动力学过程。模拟结果表明，AB两嵌段共聚物囊泡与ABA三嵌段共聚物囊泡的形成动力学过程不同：在慢速退火条件下，ABA三嵌段共聚物囊泡通过亲水链段向胶束表面和中心扩散而形成，而AB两嵌段共聚物囊泡由片层弯曲闭合形成。退火速度对AB两嵌段共聚物囊泡形成的动力学过程没有显著影响，仅影响亲水链段与疏水链段相分离的难易程度；快速退火时相分离较快且发生在囊泡形成之前，慢速退火时相分离在囊泡形成后仍在进行。

Monte Carlo simulations were employed to study the kinetic processes of vesicle formation of AB diblock copolymers and ABA triblock copolymers with the same chain length and composition in selective solvents. The simulation results show that the formation kinetics of AB diblock copolymer vesicles differs from that of ABA triblock copolymer vesicles. Under slow annealing, ABA triblock copolymer vesicles form through diffusion of hydrophilic segments toward the surface and center of micelles, whereas AB diblock copolymer vesicles form through bending and closure of lamellae. The annealing rate has no significant effect on the kinetic process of AB diblock copolymer vesicle formation; it only affects the ease of phase separation between hydrophilic and hydrophobic segments. At fast annealing, phase separation is rapid and occurs before vesicle formation, while at slow annealing, phase separation continues after vesicle formation.

论文链接：https://doi.org/10.7503/cjcu20120674

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