Computer-aided model based analysis for design and operation of a copolymerization process

The advances in computer science and computational algorithms for process modelling, process simulation, numerical methods and design/synthesis algorithms, makes it advantageous and helpful to employ computer-aided modelling systems and tools for integrated process analysis. This is illustrated through the study of a copolymerization process, where operational problems due to their complex nonlinear behaviour are usually encountered, indicating thereby, the need for the development of an appropriate process model that can describe the dynamic behaviour over the complete range of conversion. This will allow analysis of the process behaviour, contribute to a better understanding of the polymerization process, help to avoid unsafe conditions of operation, and to develop operational and optimizing control strategies. In this work, through a computer-aided modelling system ICAS-MoT, two first-principles models have been investigated with respect to design and operational issues for solution copolymerization reactors in general, and for the methyl methacrylate/vinyl acetate system in particular. The Model I is taken from literature and is commonly used for low conversion region, while the Model 2 has been derived in this work and covers the complete range of conversion. The performances of the two models are compared with respect to the steady state and dynamic behaviour of the polymerization process. The model analyses highlight the influence of the reaction mechanism, the transport phenomena, the process design and conditions of operation on the polymer grade and the production rate.