Our general goal is to produce fundamental – theoretically advanced – research in the field of separation science for a better understanding and practical utilization of the separation process. For this purpose, we apply numerical tools – based on physical chemistry – to characterize, validate and optimize analytical and preparative separation methods important for chemists in the analytical, biochemistry, pharmaceutical and organic areas.
- Liquid chromatography and biosensors: Fundamental studies, algorithm development and process optimization. We will continue thermodynamic characterizations to obtain a deeper and more complete understanding of analytical / preparative separation mechanisms and of data from modern biosensors. We will complete our excellent knowledge about thermodynamic characterization with kinetic methods. One very attractive approach is to use molecular dynamic theories for kinetic characterization which we will improve and develop for complementing the thermodynamic characterization of modern analytical and preparative phase systems. Mathematical modeling and validation of preparative LC systems increases our understanding, saves money and reduces waste. We will therefore focus on advanced process optimization using a holistic approach that takes all relevant parameters into account. In the end we will complete with economical calculations.
- SFC for Greener Purification: Fundamental studies, algorithm development and process optimization. Instead of harmful solvents, environmentally friendly supercritical fluids, such as CO2, are used in SFC. But currently both reliable theory and adsorption isotherm determination methods are lacking for SFC and will be developed based on our knowledge of LC. We are currently working intensively with the transfer of technology of methods for adsorption isotherm determination from LC to SFC where there are many pitfalls on the road. We are going to present our recent findings in SPICA 2012 in Brussels. Finally, we hope that this research should allow holistic computer-assisted process optimization of also SFC in the same way as soon possible for LC..