ИСТИНА

We introduce a computer simulation methodology to study living radical heterogeneous copolymerization. In our model the spatial segregation of species is accounted for and a microphase separation could occur during the copolymerization process. We performed model verification on the well-studied system of styrene - acrylic acid bulk copolymerization, both for low and high conversion degrees. Our simulations exhibited a perfect agreement with the available literature data and, moreover, allowed us to predict reactive melt 3D structure during the copolymerization process, including polymerization-induced microphase separation. The natural continuation of this work is an application of this methodology to the various polymerized systems, like emulsion copolymerization, or polymerization in small pores [2], where our method can be directly applied without any modifications. We can study the segregation and chain blockiness at different conversion rates, molecular mass distribution, etc.