| Abstract: | Conversion of Kováts retention indices on a given stationary phase into the thermodynamic parameters of compounds on a given column leads to a simplified method for retention simulation in isothermal, linear, and multi-ramp temperature programmed capillary gas chromatography. The influence of numerical methods used in the computation, the temperature coefficient of Kováts indices, and the experimental factors such as isothermal temperatures selected in the measurement of n-alkanes, column characterization and sample overloading, on the reproducibility and accuracy of simulation were discussed and examined. When the column used is properly characterized, the error between the simulated values and the experimental data is within ± 0.5 index unit or less than ± 1% of retention time. |
