Xia Jun, Liu Dahuan, Zhong Chongli
Department of Chemical Engineering, Key Lab of Bioprocess of Beijing, Beijing University of Chemical Technology, Beijing 100029, China.
Phys Chem Chem Phys. 2007 Oct 14;9(38):5267-73. doi: 10.1039/b705359b.
Dissipative particle dynamics simulations were performed on the morphology and structure of multicompartment micelles and vesicles formed from pi-shaped ABC block copolymers in water. By varying the chain architecture and the composition of copolymers, a rich variety of morphologies were observed, such as oblate vesicles, trumpet vesicles, layered ribbon-like micelles and Y-shaped micelles. The simulations show that the hydrophilic block length and the distance between the two grafts play important roles in the control of the morphology. Since pi-shaped ABC block copolymers can reduce to linear ABC and star ABC block copolymers, they are good model copolymers for studying the self-assembly of complex block copolymers into micelles or vesicles. Thus, the knowledge obtained in this work as well as the new morphologies identified provides useful information for future rational design and synthesis of novel multicompartment micelles and vesicles.
采用耗散粒子动力学模拟方法研究了水中π形ABC嵌段共聚物形成的多隔室胶束和囊泡的形态和结构。通过改变共聚物的链结构和组成，观察到了丰富多样的形态，如扁囊泡、喇叭形囊泡、层状带状胶束和Y形胶束。模拟结果表明，亲水性嵌段长度和两个接枝点之间的距离在形态控制中起着重要作用。由于π形ABC嵌段共聚物可以简化为线性ABC和星形ABC嵌段共聚物，它们是研究复杂嵌段共聚物自组装成胶束或囊泡的良好模型共聚物。因此，本工作中获得的知识以及新发现的形态为未来合理设计和合成新型多隔室胶束和囊泡提供了有用信息。
