Mapping the Structure–Property Space of Bimodal Polyethylene Using Response Surface Methods. Part 2: Experimental Investigation of Polymer Microstructure and Yield Estimations

Abstract

AbstractA proof of concept for a quick and easy determination of polymer microstructure and yield estimations made with dual catalyst systems through optimally designed experiments and response surface methodology has been experimentally established. Acceptable accuracy (predicted R2 > 0.9780) has been achieved on all the primary target responses (blend molar masses and short chain branching). These primary responses are further deconvoluted into underlying Flory distributions for resolution into component properties and subsequently modeled and predicted accurately (predicted R2 = 0.7440 to 0.9897) for a given set of polymerization conditions. These models are also used to explore their ability to be used for polymerization kinetics evaluation using uptake curves for yield responses. Reasonable predictive ability for yield estimation is also observed (predicted R2 = 0.9346). This methodology has the makings of a new simplified exploratory pathway for inexpensive kinetic investigation and product prediction for dual metallocene catalyst systems.