基于蒙特卡罗模拟的不同聚合温度下的丙烯聚合动力学研究_英文_.pdf

Journal of SoutheastUniversity (English Edition) V o.l 22, No. 1, pp. 117- 12 M ar. 2 6 ISSN 1 3 7985 Study on kinetics of propylene polymerization at different temperatures viaMonte Carlo simulation 1 2 1 Luo Zhenghong Huang Kai Cao Zh ikai 1 ( D epartm ent of Chem ical and B iochem ical Engineering, X iam en U niversity, X iam en 361 5, Ch ina) 2 ( Departm en t of C hem istry and Chem ical Engineering, SoutheastU niversity, N anjing 21 96, C hina) Abstract: The elem entary reactions of propy lene polym erization catalyzed by conventional Z ieglerNatta catalysts w as propo sed according to the com prehensive v iew and w ithout considering the effect of any mi purity in them aterial on propy lene polym erization. TheM onte Carlo smi ulation techniquew as employed to investigate the kinetics of propy lene polym erization in order to determ ine the valid ity of the stationary state assum ption and the effects of the polym erization tem perature on the polym erization. The smi ulated total am ount of active species, w hich only increases quickly at the beginning of the polym erization, indicates that the stationary state assum ption in the studied sy stem is valid. M oreover, significant effects of polym erization tem perature on the polym erization conversion, and the m olecular w eight and its distribution w ere also analyzed. The smi ulated results show that the consum ption rate of propylene increases w ith the increase of polym erization tem perature; them ax mi um values of the num beraverage degree of polym erization are constant at different polym erization