Prediction of retention times of polycyclic aromatic hydrocarbons and n-alkanes in temperature-programmed gas chromatography.

摘要: We have developed an iterative procedure for predicting the retention times of polycyclic aromatic hydrocarbons (PAHs) and n-alkanes during separations by temperature-programmed gas chromatography. The is based on estimates two thermodynamic properties each analyte (the differences in enthalpy entropy associated with movements between stationary mobile phases) derived from data acquired experimentally under isothermal conditions at temperatures spanning range covered temperature programs ten-degree increments. columns used this purpose were capillary containing polydimethylsiloxane-based phases three degrees phenyl substitution (0%, 5%, 50%). Predicted values mostly within 1% determined values, implying that method stable precise.