This work presents an open source database with suitable
retention
parameters for prediction and simulation of GC separations and gives
a short introduction to three common retention models. Useful computer
simulations play an important role to save resources and time in method
development in GC. Thermodynamic retention parameters for the ABC
model and theK-centric model are determined by isothermal
measurements. This standardized procedure of measurements and calculations,
presented in this work, have a useful benefit for all chromatographers,
analytical chemists, and method developers because it can be used
in their own laboratories to simplify the method development. The
main benefits as simulations of temperature-programed GC separations
are demonstrated and compared to measurements. The observed deviations
of predicted retention times are in most cases less than 1%. The database
includes more than 900 entries with a large range of compounds such
as VOCs, PAHs, FAMEs, PCBs, or allergenic fragrances over 20 different
GC columns.