Simplified modeling and main constitutive parameters estimation for industrial emulsion copolymerization processes

Abstract

In this work, the modeling of complex industrial copolymerization processes and their relative main constitutive parameters estimation were considered. Since at industrial scale different monomer types (acrylates, vinyls, and so on) are generally involved, it was necessary to both simplify the modeling considering only one pseudo-monomer species to polymerize and propose, using simple theoretical and experimental correlations, a set of rate constants for the main traditional steps of the radical emulsion reactions chain. Particularly, these estimated parameters were then inserted into a system of ordinary differential equations expressing all balances and control actions aimed to simulate the full plant synthesis.Finally, the proposed model together with all the constitutive parameters estimates were validated through the comparison with both literature and new experimental data of reactions carried out in both batch and semibatch reactors using both only one or multiple monomers species (proposed model). Obtained results confirmed the reliability of the parameters estimation.