用模型拟合法研究1,2-聚丁二烯分子运动

STUDY ON MOLECULAR MOTION OF 1,2-POLYBUTADIENE BY MEANS OF MODEL FTTING

本文采用Cole-Cole,Fuoss-Kirkwood经验相关时间分布模型和构象跳跃,高聚物局部主链运动阻尼取向扩散分子模型,对1,2-聚丁二烯在溶液中的^(13)C-NMR自旋-晶格弛豫时间nT_1和核Overhauser效应(NOE)值进行了数值拟合。用拟合所得分子运动参数讨论了1,2-聚丁二烯微观分子运动对链结构和温度的依赖性。

The empirical Cole-Cole, Fuoss-KirkwOod distribution models of correlation times, the con-formational jump model proposed by Valeur et al. and the damped orientational diffusion model of polymer local main-chain motion proposed by Skolnick and Yaris were used to fit the experimental 13C-NMR spin-lattice relaxation times (T1) and nuclear Overhauser effect (NOE) data of 1,2-polybutadienes in CDCL3 solution. The dependences of the malecular motion of 1,2-PBD on the chain-structure ad temperature have been discussed in terms of the model parameters obtained.