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Progress in Chemistry 2014, Vol. 26 Issue (0203): 358-365 DOI: 10.7536/PC130704 Previous Articles   Next Articles

Special Issue: 计算化学

• Review •

Computer Simulation of Self-Assembly of Block Copolymers in Selective Solvent

Sheng Yuping1,2, Yan Nan2, Zhu Yutian*2, An Jian*1   

  1. 1. College of Materials Science and Engineering, Jilin University, Changchun 130022;
    2. Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
  • Received: Revised: Online: Published:
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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

Key words: self-assembly, computer simulation, copolymer

CLC Number: 

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