Li Xuejin, Deng Mingge, Liu Yuan, Liang Haojun
Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China.
J Phys Chem B. 2008 Nov 27;112(47):14762-5. doi: 10.1021/jp803948j.
In this paper, the dynamic assembly of toroidal micelle structures of amphiphilic triblock copolymers in dilute solution has been investigated using dissipative particle dynamics simulations. The amphiphilic molecule is represented by a coarse-grained model, which contains hydrophilic and hydrophobic particles. Some microstructures of complex morphology having toroidal micelles have been observed in the simulations; the toroidal micelle formation is in accordance with the theoretical prediction of the toroidal structure in cylindrical micelle suspensions by Pochan et al. (Science 2004, 306, 94). These findings are very interesting, and these complex morphologies enrich our knowledge of the potential products obtained from the self-assembly of block copolymers.
在本文中，利用耗散粒子动力学模拟研究了两亲性三嵌段共聚物在稀溶液中环形胶束结构的动态组装。两亲性分子由一个粗粒化模型表示，该模型包含亲水和疏水粒子。在模拟中观察到了一些具有环形胶束的复杂形态的微观结构；环形胶束的形成与Pochan等人（《科学》，2004年，第306卷，第94页）对圆柱形胶束悬浮液中环形结构的理论预测一致。这些发现非常有趣，并且这些复杂形态丰富了我们对嵌段共聚物自组装所得潜在产物的认识。
