Chem. J. Chinese Universities ›› 2009, Vol. 30 ›› Issue (12): 2455.

• Articles • Previous Articles     Next Articles

Dissipative Particle Dynamics Simulation of Physical Gelation Behavior of P123(PEO20-PPO70-PEO20) Block Copolymer Aqueous Solution

ZHAO Ying, XIE Yu, LU Zhong-Yuan*, SUN Chia-Chung   

  1. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, China
  • Received:2009-02-23 Online:2009-12-10 Published:2009-12-10
  • Contact: LU Zhong-Yuan. E-mail: luzhy@jlu.edu.cn
  • Supported by:

    国家自然科学基金(批准号: 20774036)、霍英东教育基金(批准号: 114018)以及吉林大学 “985工程”研究生创新基金(批准号: 20080224)资助.

Abstract:

Dissipative particle dynamics(DPD) method was used to study the physical gelation behavior of P123(PEO20-PPO70-PEO20) block copolymer aqueous solution at room temperature. P123 in aqueous solution forms spherical micelles at lower volume fractions(2%—10%). When the volume fraction of P123 is increased to 20%, cylindrical micelles are formed. The gels with three dimensional network structures are observed when the volume fraction of P123 are 30% and 40%. These simulation results are consistent with the experiments. We find that dissipative particle dynamics simulation method is an important and suitable method to study physical gelation behaviour.

Key words: P123(PEO20-PPO70-PEO20) block copolymer; Physical gel; Dissipative particle dynamics simulation

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