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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,所得能量E_η和E_(ω″)更加合理,表征聚合物构象特征的统计权重矩阵中各项参数是:η=1.0exp(-E_η/RT),τ=0.8exp(-3340/RT),ω=1.4exp(-7320/RT),ω′=-1.1exp(-4390/RT)和ω″=-1.0exp(-E_(ω″)/RT).同时讨论了温度对这些参数的影响.着重考查了全同1,2-聚丁二烯特征比随能量E(E_η+E_(ω″))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.
Based on Flory’s molecular chain theory, the conformational analysis of 1,2-polybutadiene is improved by MM2 molecular mechanics program. The energy E_η and E_ (ω) are more reasonable, and the statistical weight matrix which characterizes the polymer conformational features The parameters are: η = 1.0exp (-E_η / RT), τ = 0.8exp (-3340 / RT), ω = 1.4exp (-7320 / RT), ω ’= -1.1exp (-4390 / RT) “= -1.0exp (-E_ (ω”) / RT) .At the same time, the influence of temperature on these parameters is discussed. ")), And noting that the identity of isotactic chains, such as polystyrene and poly (methyl acrylate), vary according to a similar pattern, showing the common feature of polyolefin isotactic chains.