Modeling and simulation of an emulsion copolymerization process

Radical emulsion copolymerization is one of the most widely diffused processes aimed to produce paints easy to use because of their low viscosity. At industrial scale, such processes require a high control level of all the operating variables. Particularly, the repeatability of an emulsion polymerization process within narrow limits is one of the most desirable features because it allows for controlling also other important product qualities as final solids content, average particle size, latex viscosity and polymer average molecular weight. Other important full plant requirements are the minimization of reactants dosing times and the preparation of a latex at the highest possible concentration. In this work, the first step of a complex industrial copolymerization process has been considered. Since different monomer types (butyl acrylate, styrene, acrylic acid and acrylamide) are involved, it has been necessary to propose a complete set of rate constants for all the traditional steps of the radical emulsion reactions chain (i.e. initiation, propagation, radicals termination, backbiting and long-chain branching, micelles seeding, etc..). These parameters have then been 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 has been experimentally validated through the comparison with a reaction calorimetry test carried out in an indirectly cooled semibatch reactor (RC1, 1L, Mettler Toledo). Obtained results have confirmed the reliability of the theoretical model.