Modeling of the Propylene Polymerization Catalyzed by Single-/Multi-Active Site Catalyst: A Monte Carlo Study

作者：Luo Zheng Hong^*; Wang Wei; Su Pei Lin

来源：Journal of Applied Polymer Science, 2008, 110(6): 3360-3367.

DOI：10.1002/app.28952

• Monte Carlo simulation
• polypropylene
• propylene polymerization catalyst
• single-/multi-active site catalyst

In the present study, a model is established to describe the propylene polymerization kinetics catalyzed by the typical catalysts with single-/multiactive site type in a liquid phase stirred-tank reactor using the Monte Carlo simulation method, regardless of the mass and heat diffusion effects within the polymer particles. Many, kinetic data, including polypropylene yield, concentration transformation of catalyst active sites, number-average molecular weight, etc., are obtained by the model. The simulated kinetic results are found to be in agreement with the reference ones obtained in a population balance model. Furthermore, the comparisons of the kinetic data between the polymerization catalyzed by the catalyst with single-active site type (typically silica-supported metallocene) and the catalyst with multi-active site type (typically MgCl2-supported Ziegler-Natta catalyst) have been Studied using the model. Especially, the effects of hydrogen on the polymerization are studied using the model. The studied results show that the theory of catalyst active site can be used to explain the different propylene polymerization kinetics catalyzed by the typical catalyst with single-/multi-active site type. In addition, the role of hydrogen in the propylene polymerization needs to be emphasized.

• 出版日期2008-12-15
• 单位厦门大学