Dynamic Modelling of Living Anionic Solution Polymerization of Styrene/Butadiene/Divinyl Benzene in a Continuous Stirred Tank Reactor Train

H. Fathi, K. Schittkowski, A.E. Hamielec: Polymer-Plastics Technology and Engineering Vol. 43, No. 3, 571-613 (2004)
Abstract: Herein is reported a novel dynamic kinetic reactor model for the living anionic solution polymerization of styrene/butadiene/divinyl benzene in a continuous stirred tank reactor train. The model accounts for association of n-butyllithium the anionic initiator and the formation of tetrafunctional long chain branches via propagation with pendant carbon-carbon double bonds on divinyl benzene incorporated in the copolymer chains. The model predicts individual molecular weight distributions for polymer chains with zero, one, two, --- nine tetrafunctional branch points and employing Zimm-Stockmayer long chain branching equations it is possible to predict GPC (DRI/VISCOTEK) detector cell contents properties (polymer weight fraction, intrinsic viscosity and number-average molecular weight versus retention volume). This permits effective use of GPC for kinetic parameter estimation. GPC measurements on the copolymer in the effluent of a single CSTR are used to illustrate the effectiveness of parameter estimation.

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