Algorithms for Using Some Models of Gel and Glass Effects in Free-Radical Polymerization of Methyl Methacrylate

Abstract

The aim of this article is the modeling and simulation of the batch bulk polymerization of methyl methacrylate (MMA). Simple dependencies between the propagation and termination rate constants and monomer conversion for the gel and glass effects are proposed. The empirical parameters in these relations are determined from conversion and molecular-weight experimental data obtained under various reaction conditions (initiator concentration and temperature). Sometimes, different relations were necessary to express the variation of the kinetic constants on conversion subintervals. Thus, these models have been used continuously or discontinuously, as a function of their results. An algorithm for using this model was also established. The analysis of this model has two aims: (1) to get a good agreement between simulation and experiment; (2) to provide a simple model to be used under different reactor conditions (batch, semibatch, or continuous) or which can be easily handled in polymer engineering studies, such as sensitivity analysis, optimal control, and so forth.