Macromolecular Rapid Communications, Vol.24, No.1, 74-80, 2003
R&D intensification in polymer catalyst and product development by using high-throughput experimentation and simulation
Currently laboratory automation is a rapidly growing field of interest in chemical process research and development. The idea of using automated and parallel method for the optimization of chemical processes was initiated by the extensive implementation of combinatorial techniques in medical chemistry. The techniques applied involve all methods and concepts aimed at dramatically increasing the output of research by extensive use of automation, parallelization and miniaturization, fast analysis, advanced data handling and by efficient automated planning, scheduling and tracking. In this paper, the "Combi" or high throughput experimentation approach consists of the integration of parallel experimentation with four key modeling and stimulation methodologies, modeling, multivariate statistical design of experimentation and empirical model generation.
Keywords:computer modeling;high-throughput experimentation (HTE);quantitative structure property relations (QSPR);rational design;Ziegler-Natta polymerization