Virtual Gas Chromatography by Personal Computer and the Forecast Accuracy

The retention time (RT) was accurately forecasted with the program described with GWBASIC on IBM-PC in an arbitrary operation condition. The discrepancy between the forecast retention time and the measured value was mainly caused by inadequate control of the column temperature and flow rate of the carrier gas. The theory was induced from the expression of Habgood and Golay. The forecast theory proposed here was proved to be applicable to actually in the range of practical use. Tr=k ∗ exp (H/T) +Tr0 Tr; Retention Time T; Absolute Temperature (°K) K; Constant related to pressure H; Constant related to the heat of dissolution Tr0 ; Constant related to Column dead volume (time) Approximation solution of three constants of each organochlorine pesticides was obtaind by using the graph function of LOTUS-123. Approximate solution was calculated based on the data of the RTs in three or more constant temperatures at the fixed column pressure. It was possible to forecast RT of 16 pesticides with an accuracy less than 0.5%.