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Terminal and Penultimate Reactivity Ratios in Single‐Site Ethene/Propene Copolymerizations: Comparison of Kakugo and Direct Peak Methods
Author(s) -
Karssenberg Frederik G.,
Wang Bing,
Friederichs Nic,
Mathot Vincent B. F.
Publication year - 2005
Publication title -
macromolecular chemistry and physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.57
H-Index - 112
eISSN - 1521-3935
pISSN - 1022-1352
DOI - 10.1002/macp.200500091
Subject(s) - propene , reactivity (psychology) , triad (sociology) , chemistry , order (exchange) , homogeneous , first order , order of reaction , polymer chemistry , catalysis , kinetics , organic chemistry , mathematics , combinatorics , physics , reaction rate constant , medicine , psychology , finance , pathology , quantum mechanics , psychoanalysis , alternative medicine , economics
Summary: The original, first‐order Kakugo method is extended to find second‐order reactivity ratios of homogeneous catalysts in ethene/propene copolymerizations based on triad fractions. Subsequently, the first‐ and second‐order reactivity ratios of eight Si‐bridged C 2 ‐symmetric ansa ‐zirconocenes or hafnocenes, as obtained by the Direct Peak method, are used to compare with the Kakugo methods. From the results it is clear that the second‐order methods give better descriptions than the first‐order methods. Only the results of the second‐order Direct Peak method are statistically justified, reflecting reliabilities >99.5%. Though the Direct Peak method in all cases gives the most reliable reactivity ratios, the second‐order Kakugo method turns out to be a practical tool to find estimates.Second‐order Kakugo method.