Modeling of the microwave initiated emulsion polymerization of styrene

The emulsion polymerization of styrene, activated by microwave irradiation and conductive heating, was modeled using the Predici (R) simulation package of CiT. Microwave activated initiation was modeled as adding a second conventional free-radical chemical initiator, whose concentration is given by the intensity of microwave irradiation, and its "decomposition" kinetic rate constant is related to the ratio of monomer concentration to the rate of absorbed radiation. Most of the kinetic rate constants and model parameters used in the model were taken from the literature, in order to avoid unnecessary parameter estimation procedures. Model predictions of conversion, number and weight average molecular weights, for microwave and thermally activated systems, agree well with the experimental data reported in the literature, including experimental data previously reported by our own group.