A Methodology for Estimating Kinetic Parameters and Reactivity Ratios of Multi-site Type Catalysts Using Polymerization, Fractionation, and Spectroscopic Techniques

作者：Touloupidis Vasileios^*; Albrecht Andreas; Soares Joao B P

来源：Macromolecular Reaction Engineering, 2018, 12(2): 1700056.

DOI：10.1002/mren.201700056

• gel permeation chromatography (GPC)
• microstructure
• modeling
• NMR
• polyethylene (PE)

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.

• 出版日期2018-3