Free Radical Bulk Polymerization of Styrene: Simulation of Molecular Weight Distributions to High Conversion Using Experimentally Obtained Rate Coefficients

2003 ◽  
Vol 12 (6) ◽  
pp. 379-385 ◽  
Author(s):  
Per B. Zetterlund ◽  
Hirotomo Yamazoe ◽  
Bunichiro Yamada
Keyword(s):  
Molecular Weight ◽  
Free Radical ◽  
Bulk Polymerization ◽  
Rate Coefficients ◽  
High Conversion ◽  
Molecular Weight Distributions ◽  
Weight Distributions

Bulk Polymerization of Styrene using Multifunctional Initiators in a Batch Reactor: A Comprehensive Mathematical Model

2016 ◽  
Vol 14 (1) ◽  
pp. 315-329 ◽  
Author(s):  
E. Berkenwald ◽  
M. L. Laganá ◽  
P. Acuña ◽  
G. Morales ◽  
D. Estenoz
Keyword(s):  
Mathematical Model ◽  
Molecular Weight ◽  
Batch Reactor ◽  
Kinetic Mechanism ◽  
Bulk Polymerization ◽  
Diethyl Ketone ◽  
Molecular Weight Distributions ◽  
Weight Distributions ◽  
Global Reaction ◽  
The Mathematical Model

AbstractA detailed, comprehensive mathematical model for bulk polymerization of styrene using multifunctional initiators – both linear and cyclic – in a batch reactor was developed. The model is based on a kinetic mechanism that considers thermal initiation and chemical initiation by sequential decomposition of labile groups, propagation, transfer to monomer, termination by combination and re-initiation reactions due to undecomposed labile groups. The model predicts the evolution of global reaction variables (e.g, concentration of reagents, products, radical species and labile groups) as well as the evolution of the detailed complete polymer molecular weight distributions, with polymer species characterized by chain length and number of undecomposed labile groups. The mathematical model was adjusted and validated using experimental data for various peroxide-type multifunctional initiators: diethyl ketone triperoxide (DEKTP, cyclic trifunctional), pinacolone diperoxide (PDP, cyclic bifunctional) and 1,1-bis(tert-butylperoxy)cyclohexane (L331, linear bifunctional). The model very adequately predicts polymerization rates and complete molecular weight distributions. The model is used to theoretically evaluate the influence of initiator structure and functionality as well as reaction conditions.

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