Possibility of predicting separations in supercritical fluid chromatography with the solvation parameter model |
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Authors: | C West J Ogden E Lesellier |
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Institution: | 1. Institut de Chimie Organique et Analytique (ICOA), Université d’Orléans, CNRS UMR 6005, B.P. 6759, rue de Chartres, 45067 Orléans Cedex 2, France;2. Varian, 7 avenue des tropiques, Z.A. Courtabœuf 2, B.P. 12, 91941 Les Ulis Cedex, France |
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Abstract: | In order to obtain a selection of optimal chromatographic columns for the separation of chlorotriazine pesticides in packed column supercritical fluid chromatography (pSFC), a multi-criteria approach is applied. For this purpose, prediction of the separations is carried out, based on quantitative structure–retention relationships, then Derringer's desirability function is proposed to determine the stationary phase that will result in the most desirable separation. The best SFC separation obtained was then optimized using a mobile phase gradient. Besides, the accuracy of the solvation parameter model as SFC retention predictive model is assessed. |
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Keywords: | Supercritical fluid chromatography Retention prediction Solvation parameter model QSRRs Derringer desirability function |
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