聚合物链构象的研究 II: 1,2-聚丁二烯的构象特征和链分子的特征比

基于Flory的链分子统计理论, 用MM2分子力学程序改进了1,2-聚丁二烯构象分析,同时讨论了温度的影响. 着重考查了全同1,2-聚丁二烯特征比随能量的变化规律, 并且注意到聚苯乙烯, 聚丙烯酸甲酯等全同链的特征比按相似规律变化, 从而表现了聚烯烃全同链的共同特征.

Study on the chain conformation of polymers II: Conformational characteristics of 1,2-polybutadiene and its characteristic ratio

The mol. mechanics force field program of Allinger was used to study the conformational properties of 1,2-polybutadiene (I). The first-order and second-order statistical wt. parameters were determine and checked by calculating the characteristic ratio (C) of the polymer. The effect of the energy terms in the statistical wt. parameters on C was determine The C of I as calculated by the Monte Carlo method agreed with experimental results.