Simulation of one- and multi-dimensional gas chromatography with thermal gradients

• Applicant: Privatdozent Dr. Peter Boeker, since 11/2023
• Subject Area: Measurement Systems
• Term: from 2020 to 2024
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 452897652

The topic of the proposed project is a comprehensive numerical model of gas chromatography (GC). A model can provide completely new insights into the processes of gas chromatography, especially into new technologies such as thermal gradients GC. An existing thermodynamic model is generalized to different spatial gradients (temperature, column inner diameter, film thickness of the stationary phase). The modular structure of the model enables the simulation of the combination of different GC separations in one system, e.g. in a multidimensional GCxGC system. In this way, complex GC systems can first be tested and optimized in a simulation before they are implemented in reality. The transfer of modelling and simulation into practical application requires substance-specific thermodynamic parameters which describe the interaction between the substances to be separated and the stationary phase of the GC column. The determination of such data requires extensive series of measurements with long-lasting isothermal gas chromatography. Initial approaches to the use of fast temperature-programmed measurements cannot yet be applied over the full range of the retention spectrum. A tool for the rapid determination of these basic substance-specific parameters is to be created complementary to the simulation model with inverse modelling in this research work. After the precise determination, numerically based optimizations and method developments can be carried out.

• DFG Programme: Research Grants
• Co-Investigator: Professor Dr. Matthias Wüst
• Ehemaliger Antragsteller: Dr. Jan Leppert, until 11/2023