High‐Output Polymer Screening: Exploiting Combinatorial Chemistry and Data Mining Tools in Catalyst and Polymer Development

Macromolecular Rapid Communications - Tập 24 Số 1 - Trang 47-62 - 2003
Arno Tuchbreiter1, Jürgen Marquardt1, Bernd Kappler2, Josef Honerkamp2, Marc O. Kristen3, Rolf Mülhaupt1
1Freiburger Materialforschungszentrum und Institut für Makromolekulare Chemie der Albert-Ludwigs Universität, Stefan Meier Str. 31, 79117 Freiburg, Germany
2Freiburger Materialforschungszentrum und Fakultät für Physik der Albert‐Ludwigs Universität, Stefan Meier Str. 31, 79117 Freiburg, Germany
3Basell Polyolefine GmbH, SPR CCC‐M510, D‐67056 Ludwigshafen, Germany

Tóm tắt

AbstractHigh‐output polymer screening (HOPS) combines automated polymerization with online reaction monitoring, rapid polymer characterization and novel fingerprint technology useful in polymer preparation as well as polymer processing and polymer additive development. Originally, HOPS was introduced to develop polymerization catalysts and polyolefin materials more effectively. In comparison to conventional high‐throughput screening, focusing on ultrahigh speed of catalyst screening using arrays of miniaturized reactors, output‐oriented, process‐relevant HOPS is aiming at generating and exploiting high information density (useful information/experiment). Catalyst systems for olefin polymerization are evaluated in automated workstations with multiparallel as well as semi‐ and fully automated, upgraded lab reactors. Automated polymerizations under standardized conditions afford large families of well‐characterized polymers which serve as calibration samples for data analysis. Data analysis, using multivariate calibration, is the key to basic correlations between spectroscopic information and catalyst and polymer properties as well as reaction parameters and processing conditions. IR spectroscopic fingerprints are used to measure chemical copolymer composition, density, molecular weight as well as thermal and even mechanical properties. This fingerprint technology can be applied in online quality control and facilitates transfer from lab results into pilot and production plants. Fingerprint methods are important components of rapid online analysis and can reduce the need for time‐ and money‐consuming polymer testing. Fingerprint technology combines spectroscopic analysis by means of “cheap” spectrometers with multivariate calibration.magnified imageFingerprint technology combines spectroscopic analysis by means of “cheap” spectrometers with multivariate calibration.

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Macromolecular Rapid Communications

Tập 24 Số 1

47-62

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