Software for Demonstration of Features of Chain Polymerization Processes

Free software for the demonstration of the features of homo- and copolymerization processes (free radical, controlled radical, and living) is described. The software is based on the Monte Carlo algorithms and offers insight into the kinetics, molecular weight distribution, and microstructure of the macromolecules formed in those processes. It also predicts size exclusion chromatography (SEC) chromatogram and MALDI-TOF mass spectrum of the product at any moment of the process. It is possible to follow the time dependence of several properties of the product as the polymerization proceeds. The user can define her or his own process or use the sample sets of parameters provided. The program could be useful for undergraduate and graduate students taking courses in polymer chemistry to elucidate the relationships between the mechanism of polymerization and properties of the (co)­polymer formed.