Simulation, modelling, prediction and two-dimensional retention database development in comprehensive two-dimensional gas chronatography (GCxGC)

This project will develop procedures to generate fundamental retention properties and molecular identification using the high resolution technique of comprehensive 2D gas chromatography (GCxGC). The research will demonstrate that a retention index database will permit prediction and simulation of experimental results for analysis of complex chemical mixtures. This will support efficient optimisation of chemical analysis, and integrated GC/mass spectrometry data searching for more acurate identification of chemical compunds. Improved analysis of e.g. fuels, contaminants, drugs and fragrances will result. Correlation of molecular structure with retention will bring new knowledge to understanding the unique separation capabilities of GCxGC