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Simulation of styrene radical polymerization in batch reactor: A modified kinetic model for high conversion

Frounchi, M ; Sharif University of Technology | 2002

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  1. Type of Document: Article
  2. Publisher: Sharif University of Technology , 2002
  3. Abstract:
  4. In this paper, bulk and suspension free radical polymerization of styrene in batch reactor has been modelled. This research contains two parts. In the first part, the derivation of a mathematical model from kinetics of reactions was performed. The solution of this mathematical model required roughly 10000-50000 stiff-differential equations to be solved simultaneously. However, the number of equations were reduced to only five non-stiff differential equations and six algebraic equations using moment model and quasi-steady-state assumption. Due to an enormous increase in viscosity during polymerization, the system translates into diffusion-controlled state, which causes gel and glassy effects. These effects along with initiator cage effect influence termination rate constant, propagation rate constant and initiator efficiency, respectively. In the second part, effective rate constants were defined as a function of free volume and temperature in order to describe gel and glassy effects in the model. The efficiency of initiators was also defined as a function of free volume and temperature in the same manner to account for cage effect. The model presented here has been solved by Matlab software. Also Matlab optimization software was used to obtained the adjustable parameters of effective rate constants. The model predicted the monomer conversion, number and weight average molecular weights as a function of time with a high rate of accuracy particularly at high conversions. Results were in good agreement with experimental data obtained from different sources. The predictions were found to be better than the so far published models including Marten-Hamielec [1] and Vivaldo-Lima [2] models
  5. Keywords:
  7. Source: Scientia Iranica ; Volume 9, Issue 1 , 2002 , Pages 86-92 ; 10263098 (ISSN)
  8. URL: http://scientiairanica.sharif.edu/article_2729.html