Convex hull: A new method to determine the separation space used and to optimize operating conditions for comprehensive two-dimensional gas chromatography |
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| Authors: | Gaëlle Semard Valerie Peulon-Agasse Auguste Bruchet Jean-Philippe Bouillon Pascal Cardinaël |
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| Institution: | 1. CIRSEE (Centre International de Recherche Sur l’Eau et l’Environnement), 38 rue Président Wilson, 78230 Le Pecq, France;2. Laboratoire Sciences et Méthodes Séparatives (EA 3233), Université de Rouen, IRCOF, 76821 Mont-Saint-Aignan Cedex, France |
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| Abstract: | It is important to develop methods of optimizing the selection of column sets and operating conditions for comprehensive two-dimensional gas chromatography. A new method for the calculation of the percentage of separation space used was developed using Delaunay's triangulation algorithms (convex hull). This approach was compared with an existing method and showed better precision and accuracy. It was successfully applied to the selection of the most convenient column set and the geometrical parameters of second column for the analysis of 49 target compounds in wastewater. |
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| Keywords: | Comprehensive two-dimensional gas chromatography (GC × GC) Separation space Orthogonality Column combination Convex hull |
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