Chinese Journal of Magnetic Resonance ›› 2004, Vol. 21 ›› Issue (2): 165-173.

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DEUTERIUM NMR SPECTRA OF STRAINED POLYMERS:  A MONTE CARLO SIMULATION USING BOUND FLUCTUATION MODEL

 SUI Na-Na1, Sun-Ping-Chuan2, Chen-Tie-Hong3, Lin- Hai2, Li-Bao-Hui1*, Jin-Qiang-Hua1, DING Da-Tong1   

  1. 1.Department of Physics,2.State Key Laboratory of Functional Polymer Materials for Adsorption and Separation,3.College of Chemistry, Nankai University,Tianjin 300071, China
  • Received:2003-12-01 Revised:2004-01-09 Online:2004-06-05 Published:2004-06-05
  • Supported by:

    国家自然科学基金资助项目(20274020, 20374031, 20373029)

Abstract:

Deuterium NMR spectra of strained polymers was simulated using Monte Carlo simulations with the bond fluctuation model. The excluded volume (EV) effect and the effect of mean-square end-to-end distance on the spectra were discussed. It is shown that the EV effect on the spectra of highly and lowly oriented polymers are different. The splitting of the spectrum is attributed to chains with short mean-square end-to-end distance, whereas chains with long mean-square end-to-end distance will lead to broadening and wings of the spectrum.

Key words: Monte Carlo simulation, 2H NMR, strained polymers, bond fluctuation model

CLC Number: