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Comparison of two algorithms for calculation of the apparent rate constant in the kinetic modelling of diallyl terephthalate bulk polymerization

Abstract In the present study a comparison was made of two most frequently used algorithms for calculation of the apparent rate constant in the kinetic modelling of bulk cross-linking diallyl terephthalate (DAT) polymerization with four different peroxide initiators, bis(4-tert-butylcyclohexyl) peroxydicarbonate, dicyclohexyl peroxydicarbonate, benzoyl peroxide and dicumyl peroxide, in the temperature range from 50 to 150°C and at three different initiator loadings. The first algorithm is the CCS algorithm developed by Chiu, Carratt and Soong and the second is the S algorithm developed by Smoluchowski. Only two kinetic parameters had to be found by fitting a previously proposed kinetic model for bulk DAT polymerization, developed by Hace et al., to measured conversion points. Conversions and other necessary physico-chemical properties used for kinetic modelling were obtained from our previous kinetic studies on DAT polymerization.