摘要
Abstract
The 1-decene was polymerized over metallocene catalytic system of rac-Et(1-Ind)2ZrCl2/C6H5NH(CH3)2B(C6H5)4/Al(i-Bu)3, and the kinetics under various reaction conditions such as temperature and molar ratio of aluminum to zirconium was investigated. In order to obtain dynamic data for monitoring the reaction process, samples taken at different time were analyzed on monomer concentration by gas chromatograph (GC), and that on molecular weight of polymer by gel permeation chromatography (GPC). Based on the polymerization reaction mechanism and material balance, and the hypotheses for alkene polymerization, the kinetic model of the polymerization was established. The model includes the reactions of chain initiation, chain propaganda, chain transfer to monomer, chain transfer to active center and chain termination. Levenberg-Marquardt algorithm was used to optimize the model parameters. Through the model, the reaction rate, number-average and weight-average molecular weights and so on can be predicted. By the validation experiments it showed that the values of model prediction are very close to the experimental data. The model prediction showed that the chain initiation reaction process was completed in a few seconds, the chain propagation reaction has lower activation energy than the chain transfer reaction, and higher temperature is beneficial to the chain transfer reaction.关键词
聚合/动力学/模型/1-癸烯/茂金属/有机硼化物Key words
polymerization/kinetic/model/1-decene/metallocene/organic boride分类
化学化工
