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Near Infrared Reflection Spectroscopy: A Versatile Tool for Rapid Characterization of Olefin Copolymers and High‐Throughput Experiments
Author(s) -
Tuchbreiter Arno,
Kappler Bernd,
Stockmann Roger,
Mülhaupt Rolf,
Honerkamp Josef
Publication year - 2003
Publication title -
macromolecular materials and engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.913
H-Index - 96
eISSN - 1439-2054
pISSN - 1438-7492
DOI - 10.1002/mame.200290030
Subject(s) - propene , materials science , copolymer , infrared spectroscopy , spectroscopy , olefin fiber , chemometrics , analytical chemistry (journal) , polymer , organic chemistry , catalysis , chemistry , physics , chromatography , composite material , quantum mechanics
Near infrared (NIR) spectroscopy was developed as a rapid analytical method for the determination of the composition of olefin copolymers obtained in high‐throughput screening. NIR spectra of ethene/propene and ethene/1‐hexene copolymers, also characterized by means of 13 C NMR spectroscopy, were recorded and used to design multivariate calibration models. Different methods for the preprocessing of the spectra, including the linearization by non‐linear transformations, were compared. Optimal methods and error estimates were established using crossvalidation. This technique is of particular interest for the rapid on‐line analysis of high‐throughput experiments in the field of polymer and catalyst design employing methods from combinatorial chemistry.Predicted versus true value of the propene incorporation and standard deviation for ethene/propene copolymers.