PolyJen

PolyJen is a handy and accessible Java-based tool that is able to predict chain-growth polymerization reactions while minimizing expensive laboratory experimentation. More specifically, the program focuses on oxyalkylation, which refers to a more straightforward polymerization considering that alkenes can polymerize in a rather direct reaction using strong acids. The process is commonly used in the production of various polymers, like polyvinyl chloride, polyethylene and polypropylene.

The idea behind the tool is quite simple: you can just use this application to determine the results of mixing monomers with a specific initiator instead of constructing polymers in a laboratory and consuming chemicals and time, particularly carbonyl groups that usually need complex synthesis.

As previously mentioned, the tool can predict the chain-growth process. The only extra step involved here is the addition of a monomer to the chain, a monomer that features an active center, either an ion or a free radical. The accuracy is not affected via the method, as the chain-growth involves linking molecules with double or triple carbon-carbon bonds. Since these identical molecules are unsaturated, it means that they incorporate extra internal bonds which can break and link up with the other monomers available, thus forming the chain.