High-Output Polymer Screening: Exploiting Combinatorial Chemistry and Data Mining Tools in Catalyst and Polymer Development
| Autor: | Rolf Mülhaupt, Bernd Kappler, Josef Honerkamp, Arno Tuchbreiter, Jürgen Marquardt, Marc Oliver Kristen |
|---|---|
| Rok vydání: | 2003 |
| Předmět: |
chemistry.chemical_classification
Materials science Polymers and Plastics Spectrometer Polymer characterization Organic Chemistry Fingerprint (computing) Nanotechnology Polymer Characterization (materials science) Polyolefin chemistry.chemical_compound Polymerization chemistry Materials Chemistry Calibration |
| Zdroj: | Macromolecular Rapid Communications. 24:47-62 |
| ISSN: | 1521-3927 1022-1336 |
| DOI: | 10.1002/marc.200390014 |
| Popis: | High-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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Plný text