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本文以四氢呋喃(THF)作为正丁基锂-丁二烯-环已烷聚合体系的极性添加剂,以调节产物聚丁二烯的1,2-结构含量(B_v),并对过去我们提出的反应机理及由此推导的B)v～[THF]定量关系式进行验证和深入研究。结果表明,实验数据与定量关系式的计算值十分相符,并求出了综合平衡常数K~′=8.0×10~(-9)e~(12800/RT)(1/mol)~n,络合溶剂化指数n=846.9/T-2.117,在纯THF中产物的1,2-结构含量与温度的关系为a=89.5-0.123t,以及综合活化能(△H+E_π-E_σ)=-55.5 kJ/mol。
In this paper, tetrahydrofuran (THF) was used as a polar additive in n-butyllithium-butadiene-cyclohexane polymerization system to adjust the content of 1,2-structure of polybutadiene (B_v) Reaction mechanism and the derived B) v ~ [THF] quantitative relationship between the validation and further study. The results show that the experimental data are in good agreement with the calculated values of the quantitative relationship, and the comprehensive equilibrium constants K ~ = 8.0 × 10 -9 ~ 12800 / RT ~ 1 / mol ~ n The solvating index n = 846.9 / T-2.117. The content of 1,2-structure in pure THF is a = 89.5-0.123t, and the total activation energy (ΔH + E_π-E_σ) 55.5 kJ / mol.