Digital Simulation of Bulk and Suspension Polymerization of Styrene, Using Non-linear Regression for Curve Fitting the Kinetic Parameters

The original Chiu-Carrat-Soong (CCS) model for diffusion-controlled propagation and termination in free-radical polymerization is used to model conversion and average molecular weights histories in bulk or suspension styrene homopolymerization. Using the Marquardt method for non-linear regression, the key model parameters are fitted to literature available experimental data and the effect of important variables is simulated, obtaining agreement with the reported data and statistically significant models The numeri cal strategy for data fitting and problems encountered when doing so are explained.