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Investigation of ethylene/1‐octene copolymerization models by carbon‐13 NMR
Author(s) -
Bailey A. L.,
Kale L. T.,
Tchir W. J.
Publication year - 1994
Publication title -
journal of applied polymer science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.575
H-Index - 166
eISSN - 1097-4628
pISSN - 0021-8995
DOI - 10.1002/app.1994.070510318
Subject(s) - 1 octene , octene , markov chain , ethylene , copolymer , nmr spectra database , carbon 13 nmr , spectral line , polymerization , bernoulli's principle , materials science , mathematics , statistical physics , polymer , thermodynamics , chemistry , physics , statistics , catalysis , stereochemistry , organic chemistry , astronomy
Statistical reaction models have been used to fit C‐NMR spectra for ethylene/1‐octene copolymers and to describe the polymerization reaction probabilities. Ten models ranging in complexity from a one‐site Bernoulli probability to multiple site second‐order Markov systems were studied. Model parameters were determined by fitting the experimental integrations of replicated spectra using a maximum likelihood method. The best fit to the experimental NMR spectra was obtained with a two‐site model, one site producing mainly high‐density polymer following a Bernoulli probability model, while the second site allows more incorporation of octene following a chain‐end controlled probability described by first‐order Markov statistics. © 1994 John Wiley & Sons, Inc.