嵌段共聚物自组装的研究进展

Progress in Self-assembly of the Block Copolymers

自组装是分子间通过非共价键相互作用自发组合形成的一类结构明确、稳定,同时具有某种特定功能或性能的分子聚集体或超分子结构的现象。嵌段共聚物不仅可以在本体中自组装,还能在溶液中自组装。本文综述了嵌段共聚物在溶液中自组装的规律及其主要影响因素,包括嵌段共聚物链段长度、选择性溶剂的性质、嵌段共聚物的浓度、溶液的pH值等;并介绍了计算机模拟中模拟退火(simulated annealing)、自洽场理论(self-consistent field theory,SCFT)、蒙特卡洛(Monte Carlo,MC)模拟、耗散粒子动力学(dissipative particle dynamics,DPD)等方法在该领域的应用。

Self-Assembly is the process by which a system of molecules relied on non-covalent interaction spontaneously assemble into a strueture-determinated and stable molecular aggregates or supramolecular structures which possess specific functions or performances in the mean time. Block copolymer systems exhibit well-known ability to self-assemble into a wide variety of morphologies either in bulk （lamellas, gyriods, cylinders, spheres, etc. ） or in solution （spherical miceUes, vesicles, cylinders, etc. ）. In this paper, the main factors which may influence the self-assembled morphology of the block copolymers in solution, including the length of the building blocks, the property of the selective solvents, the concentration of the block copolymers and the pH value of the solutions, are reviewed. Moreover, various methods of the computer simulation for the self-assembly of the block copolymers, such as self-consistent field theory, simulation of Monte Carlo, dissipative particle dynamics and simulated annealing, are introduced.