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嵌段共聚物在选择性溶剂中自组装过程的计算机模拟
Computer Simulation of Self-Assembly of Block Copolymers in Selective Solvent
嵌段共聚物由于各嵌段性质不同，在选择性溶剂中能够自发地组装形成众多形态结构各异的纳米结构，如纳米级的球状、棒状、环状、片层状、囊泡及复合胶束等。这些胶束结构在药物传输、催化、电子信息等众多领域都有潜在的应用价值。通过计算机模拟可以在线监控嵌段共聚物的组装过程、揭示其组装机理，明确各种因素对组装结构的影响规律，为实验研究提供思路和理论支持，因此越来越受到人们的广泛关注。本文主要综述了通过计算机模拟对嵌段共聚物在选择性溶剂中自组装研究的一些最新进展，详细讨论了影响嵌段共聚物自组装过程和胶束形貌的各种因素，并对这个领域未来的发展进行了展望。
Due to the difference in the property of each block, block copolymers can self-assemble into various nanoscale morphologies spontaneously, including sphere, rod, ring, lamella, vesicle and compound micelle etc. These micelles have potential applications in nanotechnology such as drug delivery, catalysts, electronic information and so on. Recently, the computer simulations are widely used to monitor the process of self-assembly, reveal the mechanism of self-assembly, and illuminate the influence of various control factors on micellar structures, which can provide mentality and theoretical support for the experimental research. This review mainly summarizes the latest progresses in computer simulation of self-assembly of block copolymers in selective solvent, and discussed various effects on the micellar morphologies and the process of self-assembly. Moreover, the future development in this filed is also discussed in this review.
Contents
1 Introduction
2 Self-assembly of AB diblock copolymers in selective solvents
3 Self-assembly of ABA triblock copolymers in selective solvents
3.1 Self-assembly of ABA triblock copolymers in A-selective solvents
3.2 Self-assembly of ABA triblock copolymers in B-selective solvents
4 Self-assembly of ABC triblock copolymers in selective solvents
4.1 Self-assembly of ABC triblock copolymers in A-and C-selective solvents
4.2 Self-assembly of ABC triblock copolymers in C-selective solvents
4.3 Self-assembly of ABC miktoarm star terpolymers in selective solvents
5 Self-assembly of mixtures of copolymers in selective solvents
6 Conclusion and outlook
self-assembly
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