Modeling the Microstructure of Acrylic-Polyurethane Hybrid Polymers Synthesized by Miniemulsion Polymerization

A computer simulation is presented for the prediction of the detailed microstructure of acrylic-polyurethane hybrid polymers synthesized by miniemulsion polymerization. The simulation considers the polymerization of a mixture of acrylic monomers, one of them having a hydroxyl group, in the presence of a diisocyanate terminated prepolymer and a diol. The simulation approach is able to reproduce the experimental tendency (gel content, sol molecular weight and swelling capability) and provide additional information that is not attainable otherwise, as the distribution of pendant PU chains and dangling acrylic chains and the loop size distribution of the hybrid network. The analysis of such complex structures opens the possibility of tuning the performance of crosslinked emulsion polymers by adjusting their microstructure.