Simulation and Optimization of Polystyrene Free Radical Polymerization Process

Abstract

A model for bulk polymerization of styrene was established by using the POLYMER module of ASPEN PLUS. The effects of the chain initiator (TBP), solvent (ethylbenzene) and the chain transfer agent (DDM) on the yield, number average degree of polymerization(DPN), weight average degree of polymerization(DPW), number average molecular weight(Mn), weight average molecular weight(Mw) and the polydispersity index(PDI) of polystyrene were investigated. Through the analysis, we can first consider the amount of styrene to obtain roughly the parameters of the polystyrene process. As the use of initiator in polymerization has the optimal value, we must strictly control the amount of TBP according to the amount of monomer styrene, and adjust the amount of chain transfer agent to control the product quality accurately.