title: Convex hull: a new method to determine the separation space used and to optimize operating conditions for comprehensive two-dimensional gas chromatography.
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.
authors.affiliation: Centre International de Recherche Sur l'Eau et l'Environnement, 38 rue Président Wilson, 78230 Le Pecq, France.
authors.forename: Gaëlle
authors.initials: G
authors.lastname: Semard
authors.forename: Valerie
authors.initials: V
authors.lastname: Peulon-Agasse
authors.forename: Auguste
authors.initials: A
authors.lastname: Bruchet
authors.forename: Jean-Philippe
authors.initials: JP
authors.lastname: Bouillon
authors.forename: Pascal
authors.initials: P
authors.lastname: Cardinaël
mesh_terms: D000465:Algorithms; D002849:Chromatography, Gas / Q000295:instrumentation / Q000379:methods*; D055768:Halogenated Diphenyl Ethers / Q000032:analysis; D010573:Pesticide Residues / Q000032:analysis; D011084:Polycyclic Aromatic Hydrocarbons / Q000032:analysis; D014866:Waste Products; D014867:Water; D014874:Water Pollutants, Chemical / Q000032:analysis*
chemical_list: D055768:Halogenated Diphenyl Ethers; D010573:Pesticide Residues; D011084:Polycyclic Aromatic Hydrocarbons; D014866:Waste Products; D014874:Water Pollutants, Chemical; D014867:Water