A Java(TM)-based model for multi-component free-radical bulk and solution polymerizations

Abstract

Modelling and simulation play an essential role in developing, optimizing and understanding the steps involved in the production of polymers. A simulator was designed in order to model free-radical bulk and solution homopolymerizations, as well as multi-component polymerizations. Several optional models were incorporated in to the simulator, such as several glass transition temperature models, and the penultimate model. Java(TM) was selected as the programming language because of its object-oriented nature, providing high flexibility and ensuring easy extension of the code. Once the simulator was validated against experimental data and another simulator, it was used to model three systems: butyl acrylate/vinyl acetate (BA/VAc), styrene/butyl acrylate (Sty/BA), and butyl acrylate/methyl methacrylate/vinyl acetate (BA/MMA/VAc). (Abstract shortened by UMI.)