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Monte Carlo Simulation on Dynamic Behavior of Polymer Chains

ZHANG Qun-li1,2, HAN Zhao-rang1 , ZHAO Ji-li1, WANG Li1, LIU Feng-qi1   

  1. 1. College of Chemistry, Jilin University, Changchun 130021, China; 2. Department of Packaging Engineering, Northeast Forestry University, Harbin 150040, China
  • Received:2005-03-30 Revised:1900-01-01 Online:2006-01-26 Published:2006-01-26
  • Contact: LIU Feng-qi

Abstract: The author adopted Monte Carlo method to simulate the linear polymer chain lattice model, and made a research on the variation of polymer dynamic behavior with the interaction energy changing among the system components. The author discussed the changes of physical parameters that describe chain dynamics gcm(t), gm(t), ge(t) and gr(t) with the increase of the interaction energy εPS between solvent molecules and polymer chain segment molecules, and interaction energy εPP among polymer chain segment molecules. The results indicate that εPP has less impact on polymer dynamic behavior than εPS, but the tangling character of the system is mainly affected by the chain length of the system, does not depend on the change of εPS and εPP absolutely.

Key words: polymer chain, dynamic behavior, Monte Carlo simulation

CLC Number: 

  • O631.1