丁二烯/苯乙烯阴离子连续溶液共聚反应模型化研究

针对n_BuLi引发剂引发的丁二烯／苯乙烯阴离子连续溶液共聚反应，结合共聚机理与反应器操作模式，建立了完全混合全混流模式下共聚单体转化率及分子量分布模型，并借助共聚单体转化率实验结果，对共聚单体转化率模型进行参数估计，求得了4个链增长速率常数。在此基础上，进行了分子量分布模型的模拟计算，并将模拟结果与共聚物分子量分布的实测结果进行了比较。研究结果表明，建立的模型能较为满意地描述丁二烯／苯乙烯阴离子连续溶液共聚反应的单体转化率和分子量分布。

Modeling of Anionic Continuous Solution Copolymerization of Butadiene/Styrene

Modeling of anionic continuous solution copolymerization of butadiene/styrene initiated by n-BuLi was studied. According to the copolymerization mechanism, models of comonomer conversion and molecular weight distribution under the condition of the maximum mixing in a continuous stirred-tank reactor were established. The parameters of the model of comonomer conversion were evaluated in terms of experimental data of conversion. Four chain propagation rate constants were obtained through parameter evaluation. The effects of polymerization temperature on the chain propagation rate constants were also investigated according to the simulation of the conversion model, and the corresponding values of Arrhenius activation energy and frequency factors were acquired. Based on the parameter evaluation and simulation of the conversion model, simulation of the model of molecular weight distribution was conducted. The simulation results were compared with the experimental results of molecular weight and molecular weight distribution. The results show that the models established can be used to describe satisfactorily the comonomer conversion and molecular weight distribution of the anionic continuous solution copolymerization of butadiene/styrene.