An Integrated Model-Based Analysis of Polymer Chemistry and Polymerisation Reactors

In this paper, a simple demonstration is presented on the analysis of the combined effect of polymer chemistry and the polymerisation reactor on the polymer properties. The model would ideally account for the raw material and end-product characteristics and properties on the one hand; the polymerisation kinetics and reaction engineering on the other hand. This system-wide model-driven approach enables the interlinking of the widely disparate facets of polymer science and engineering, and thereby provides a tool for rapid and efficient identification and scale-up of new polymeric materials that would be exploited in future studies. The ideas are demonstrated with regard to a hyper-branched polymerisation chemistry.