Chemical Research in Chinese Universities ›› 2010, Vol. 26 ›› Issue (5): 838-841.

• Articles • Previous Articles     Next Articles

Influence of Solvent Size on Structural Properties of Bottle-brush Polymers

LIU Ying-tao, LIU Hong, LIU Yu-hua and LÜ Zhong-yuan*   

  1. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130021, P. R. China
  • Received:2009-10-26 Revised:2009-12-31 Online:2010-09-25 Published:2010-11-26
  • Contact: Lü Zhong-yuan. E-mail: luzhy@jlu.edu.cn
  • Supported by:

    Supported by the National Science Foundation of China(Nos.20774036, 50930001), the Program for New Century Excellent Talents in University and Fok Ying Tung Education Foundation(No.114018).

Abstract: We proposed a modified dissipative particle dynamics simulation model by which one can effectively avoid the bond-crossing problem, and investigated the effect of solvent size on the structural properties of bottle-brush polymers in dilute solution on the basis of this model. It was found that with the increase of solvent size, the radius of the gyration of the bottle-brush polymer decreases considerably in the athermal solvent but increases in the selective solvent favoring the backbone, respectively.

Key words: Dissipative particle dynamics, Bottle-brush polymer, Solvent size, Bond-crossing