Simulation of polymerization and long chain branch formation in a semi-batch reactor using two single-site catalysts

We developed a mathematical model for the solution polymerization of olefins in a semi-batch reactor with two single-site catalysts. In the propylene polymerization case, our objective is to study the production of a thermoplastic elastomer using two catalysts, one capable of forming isotactic chains containing terminal vinyl bonds (macromonomers) and the other producing atactic chains while also being able to copolymerize macromonomers to form long chain branches. A similar thermoplastic elastomer can be produced by polymerizing ethylene and a-olefin comonomers when the a-olefin reactivity ratios of the two catalysts are significantly different.