Kinetics simulation of high viscous styrene bulk polymerization system

Ultra high molecular weight polystyrene could be prepared by rare earth catalyst systems. Monte Carlo method simulates the kinetics of high viscous system of styrene bulk polymerization and verifies our coordination polymerization mechanism presumptions. The simulation indicates β-hydrogen elimination and monomer transfer reaction are important in the whole polymerization while the deactivation reaction and cocatalyst transfer reaction are in small possibilities. Polymers containing double bond end are regarded as macro-monomers that can be initiated into active chain. Monte Carlo simulation proves such presumption and calculates the average branch degree of 0.5.