Journal
MACROMOLECULAR REACTION ENGINEERING
Volume 12, Issue 2, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/mren.201700056
Keywords
gel permeation chromatography (GPC); microstructure; modeling; NMR; polyethylene (PE)
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This work describes a polymer reaction engineering framework for understanding how catalyst kinetic parameters affect the microstructure of polyolefins made with single- or multi-site catalysts. Moreover, a methodology for deconvolution and kinetic parameters estimation is presented to estimate the reactivity ratios of multi-site catalysts based on the combination of polymerization, fractionation, and spectroscopic techniques, namely, gel permeation chromatography-IR and carbon-13 nuclear magnetic resonance spectroscopy. The methodology capabilities are then demonstrated and validated using a case study simulated via a Monte Carlo model including random noise in order to better represent experimental result uncertainties. The methodology can reverse engineer experimental results and estimate all relevant reaction performance parameters.
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