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Progress in Chemistry 2004, Vol. 16 Issue (03): 431- Previous Articles   Next Articles

Special Issue: 计算化学

• Review •

Advances in Computer Simulation of Macromolecule Self-assembly

Li Wei**;Han Yongcai;Zhang Jinli   

  1. (School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China)
  • Received: Revised: Online: Published:
  • Contact: Li Wei
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Macromolecules including surfactants can aggregate to form micelles with various shapes in solution, and this character makes it widely used in the applications of industrial and living fields. It is significant to study the charac-ters of aggregation of surfactants, especially for the study of aggregation of amphiphilic macromolecules in life sciences and for biomineralization or biomimetic synthesis. In this paper, the progress in computer simulation of macromolecules self-assembling is summarized from the thermodynamic and molecular dynamic point of view.
Key words: macromolecules, surfactants, self-assembly, templates, molecular dynamics, simulation

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