Chem. J. Chinese Universities ›› 2013, Vol. 34 ›› Issue (1): 242.doi: 10.7503/cjcu20120165

• Polymer Chemistry • Previous Articles    

Computer Simulation of Phase Separation in Binary Polymer Brush Systems

XUE Yao-Hong1, ZHAO Yi-Wu2, FAN Jing-Tao1, HAN Cheng1, JIANG Zhen-Gang1, YANG Hua-Min1, LIU Hong3   

  1. 1. School of Computer Science and Technology, Changchun University of Science and Technology, Changchun 130022, China;
    2. Institute of Space Photo-Electronic Technology, Changchun University of Science and Technology, Changchun 130022, China;
    3. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130021, China
  • Received:2012-03-01 Published:2012-12-31

Abstract:

The phase separation in binary polymer brush system was studied by dissipative particle dynamics(DPD) simulation method. The results show that the film thickness is not sensitive to the compatibility between the two polymer brush components, while the compatibility has obvious influence on the domain size during the vertical phase segregation. The role of solvent quality on controlling the film thickness and film density is crucial. Meanwhile, the solvent quality is also important for tuning the layer structure in the phase separation. These results imply that by controlling the environment condition, the material prepared by the binary polymer brush film may be potentially applicable in fast tuning surface wettability reversibly.

Key words: Binary polymer brush, Dissipative particle dynamics, Phase separation, Compatibility

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