engleski

The correlaation between HPLC parameters and topological indices of alkanes

The possibility of predicting the parameters in HPLC by means of theoretical calculations, represents a significant step forward in the analysis of the complex mixtures of higher boiling petroleum fractions. Quantitative structure-property relationship, QSPR, is being used more and more in chromatographic studies, since it is by now established that the retention indices have a structural origin. In the present paper we investigate whether the HPLC parameters of alkanes could be predicted from the QSPR-type models using Wiener number as a structural descriptor. The Wiener number, which has already been applied in several cases to the prediction of gas chromatographic retention indices and HPLC parameters for polycyclic aromatic hydrocarbons, has now been employed for calculating the HPLC retention time of n-alkanes and cycloalkanes.

HPLC parameters ; Wiener number ; Alkanes ; QSPR

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