COMPARISON OF DIFFERENT METHODS FOR THE PREDICTION OF RETENTION TIMES IN PROGRAMMED-TEMPERATURE GAS-CHROMATOGRAPHY

Four calculation methods that can be easily applied by simple BASIC programming on personal computers were compared for the prediction of the retention times of various substances during linear temperature PrOgramming with and without an initial isothermal period on polar and non-polar capillary columns. The methods are based on curve-fitting techniques or a numenc iterative integration approach (Simpson and trapezoid methods). The comparison with experimental data obtained in various programmed-temperature analyses showed that all the tested methods permit the prediction of the retention times. The computation times and deviations of the results are compared.