Published:Journal of Chromatographic Science, ISSN 0021-9665 Volume 45, Number 1, January 2007, pp.22-27

Using Bezier Curves for the Calculation of Retention Indices of Polycyclic Aromatic Hydrocarbons in the
So-Called Lee’s Scale in Temperature-Programmed Gas Chromatography with Mass Spectrometry Detection

Bassem Jamoussi[1], Fehmi Kanzari[2], Béchir Ben Hassine[3], and Abdelmanef Abderrabba[2]
[1]Institut Supérieur de l’Education et de la Formation Continue, Département des Sciences Physiques, 43 rue de la Liberté-2019 le Bardo, Tunisia;
[2]Laboratoire Physicochimie des Matériaux, IPEST, BP51, La Marsa 2070, Tunisia; and
[3]Faculté des Sciences de Monastir, Laboratoire de Synthèse Organique Asymétrique et Catalyse Homogène 5019 Monastir, Tunisia

The retention indices of some polycyclic aromatic hydrocarbons (PAHs) separated by temperature-programmed gas chromatography are computed by smoothing reference data with Bezier curves of orders 6 are more consistent with the scheme of this retention parameter, and they present standard deviations systematically smaller than those associated with classical retention indices. The Bezier curve possesses the property of local control, (i.e., their graphs are modified only in the neighbourhood of the displaced point). The values thus obtained were compared with the corresponding ones calculated in a classical way. Detailed statistical analysis is presented to describe the retention indices of PAHs expressed in the so-called Lee’s scale as a function of retention temperatures (in °C). As a training set, experimental retention data of PAHs obtained on a PE-5 phase is used for correlation. As prediction sets, literature experimental retention indices expressed in the so-called Lee’s scale obtained on a DB-5 slightly polar stationary phase are applied for comparison. The method developed is successfully used for estimating and predicting the capillary gas chromatography retention index of PAHs.

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