title: Possibility of predicting separations in supercritical fluid chromatography with the solvation parameter model.
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.
authors.affiliation: Institut de Chimie Organique et Analytique, Université d'Orléans, CNRS UMR 6005, B.P. 6759, rue de Chartres, 45067 Orléans Cedex 2, France. caroline.west@univ-orleans.fr
authors.forename: C
authors.initials: C
authors.lastname: West
authors.forename: J
authors.initials: J
authors.lastname: Ogden
authors.forename: E
authors.initials: E
authors.lastname: Lesellier
mesh_terms: D025924:Chromatography, Supercritical Fluid / Q000295:instrumentation / Q000379:methods*; D009930:Organic Chemicals / Q000737:chemistry*; D010575:Pesticides / Q000032:analysis / Q000302:isolation & purification*; D012997:Solvents / Q000737:chemistry*
chemical_list: D009930:Organic Chemicals; D010575:Pesticides; D012997:Solvents