CIESC Journal

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非均相催化丙稀聚合的建模与仿真

刘兴高   

  1. State Key Laboratory of Industrial Control Technology, Institute of Industrial Control,
    Department of Control Sci-ence and Technology, Zhejiang University, Hangzhou 310027, China
  • 收稿日期:1900-01-01 修回日期:1900-01-01 出版日期:2007-08-28 发布日期:2007-08-28
  • 通讯作者: 刘兴高

Modeling and simulation of heterogeneous catalyzed propylene polymerization

LIU Xinggao   

  1. State Key Laboratory of Industrial Control Technology, Institute of Industrial Control,
    Department of Control Sci-ence and Technology, Zhejiang University, Hangzhou 310027, China
  • Received:1900-01-01 Revised:1900-01-01 Online:2007-08-28 Published:2007-08-28
  • Contact: LIU Xinggao

摘要: A novel mathematical model for single particle slurry propylene polymerization using
heterogeneous Ziegler-Natta catalysts has been developed to describe the kinetic behavior,
the molecular weight distribution, the monomer concentration, the degree of polymerization,
the polydispersity index (PDI), etc. This model provides a more valid mathematical
description by accounting for the monomer diffusion phenomena at two levels as multi-grain
model counts, and obtains results that are more applicable to the conditions existing in
most polymerizations of industrial interest. Considering that some models on the mesoscale
phenomena are so complex that some existing modeling aspects have to be simplified or even
neglected to make the model convenient for use in interesting engi-neering studies, it is
very important to put some effort into determining what sort of numerical analysis works
best for these problems. For this reason, special attention is paid to these studies to
explore an efficient algorithm using adaptive grid-point spacing in a finite-difference
technique to figure out more practical mass transport models and convection-diffusion
models efficiently. The reasonable outcomes, as well as the significant computation time
sav-ing, have been achieved, thereby displaying the advantage of this calculation method.

关键词: modeling and simulation;propylene polymerization;mass transfer;diffusion and convection

Abstract: A novel mathematical model for single particle slurry propylene polymerization using
heterogeneous Ziegler-Natta catalysts has been developed to describe the kinetic behavior,
the molecular weight distribution, the monomer concentration, the degree of polymerization,
the polydispersity index (PDI), etc. This model provides a more valid mathematical
description by accounting for the monomer diffusion phenomena at two levels as multi-grain
model counts, and obtains results that are more applicable to the conditions existing in
most polymerizations of industrial interest. Considering that some models on the mesoscale
phenomena are so complex that some existing modeling aspects have to be simplified or even
neglected to make the model convenient for use in interesting engi-neering studies, it is
very important to put some effort into determining what sort of numerical analysis works
best for these problems. For this reason, special attention is paid to these studies to
explore an efficient algorithm using adaptive grid-point spacing in a finite-difference
technique to figure out more practical mass transport models and convection-diffusion
models efficiently. The reasonable outcomes, as well as the significant computation time
sav-ing, have been achieved, thereby displaying the advantage of this calculation method.

Key words: modeling and simulation, propylene polymerization, mass transfer, diffusion and convection