A Methodology for Estimating Kinetic Parameters and Reactivity Ratios of Multi‐site Type Catalysts Using Polymerization, Fractionation, and Spectroscopic Techniques. Issue 2 (30th January 2018)

• Record Type: Journal Article
• Authors: Touloupidis, Vasileios; Albrecht, Andreas; Soares, João B. P.
• Is Part Of: Macromolecular reaction engineering. Volume 12:Issue 2(2018)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2018-01-30
• Subjects: gel permeation chromatography (GPC) -- microstructure -- modeling -- NMR -- polyethylene (PE); Polymers -- Periodicals; Polymerization -- Periodicals; Reaction mechanisms (Chemistry) -- Periodicals; Electronic journals; 547.705
• DOI: 10.1002/mren.201700056
• Languages: English
• ISSNs: 1862-832X

Abstract

Abstract: 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. Abstract : 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.