Chem. J. Chinese Universities ›› 1995, Vol. 16 ›› Issue (7): 1140.

• Articles • Previous Articles     Next Articles

Monte Carlo Simulation of Phase Transition of Random Copolymer Systems

HU Wen-Bing, YU Tong-Yin   

  1. Department of Polymer Science, Fudan University, Shanghai, 200433
  • Received:1994-09-13 Revised:1995-03-17 Online:1995-07-24 Published:1995-07-24

Abstract: Three Dimensional Monte Carlo simulation of phase transitions is performed at high density of polymers with limited chain length by introducing intramolecular conforma-tional interaction Ecand intermolecular orientation-dependent interaction Ep, the later is considered as the process of compact pairing of non-bond segments according to our "cooperative pairing model". We prove that at Ep/Ec=1, the phase transition corresponds to polymer crystallization (Fig. 1,2). Then by randomly introducing non-crystallizable segments which do not take part in cooperative pairing process, we find that the phase transitions move to lower temperature (Fig. 3) and the depression of melting temperatures follows Flory's prediction for random copolymer, accompanying the loss of lamellar structure which agrees with experiments. These results illustrate that the cooperative pairing model is a special behavior for crystallizable segments.

Key words: Computer simulation, Orderly phase transition, Random copolymer

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