title: Computerized optimization of flows and temperature gradient in flow modulated comprehensive two-dimensional gas chromatography.
abstract: Informational entropy and syentropy percent were used to optimize the flows in the first (1D) and in the second (2D) dimension ((1)Fm and (2)Fm, respectively) as well as the temperature program rate (r) for the flow modulated GC×GC-FID separation of C6-C12 aromatic hydrocarbons in a low boiling petrochemical sample. The separations were performed on a column series consisting of a 25m×0.25mm i.d.×0.2μm df of the polar ionic liquid SLB-IL 100 (1,9-di(3-vinylimidazolium)nonane bis(trifluoromethylsulfonyl)imide) in the first dimension and 5m×0.25mm i.d.×0.25μm df apolar HP-5MS (5% phenyl-95% methylpolysiloxane) in the second dimension. A dependence of a distribution of individual aromatic hydrocarbons in the 2D retention plane on the carrier gas flows ((1)Fm, and (2)Fm,) and temperature gradient (r) was examined in this study. It was found that informational entropy and synentropy percent are advantageous criteria to characterize the distribution of peaks in the 2D retention plane. Maximum informational entropy and synentropy percents correspond to the maximum distribution of C6-C12 aromatic hydrocarbons in the corresponding 2D retention plane gained by the given separation using optimized values of individual carrier gas column volume flows and the temperature rate at the temperature programmed GC×GC separations.
authors.affiliation: Institute of Analytical Chemistry, Faculty of Chemical and Food Technology, STU, Bratislava, Slovakia. Electronic address: pavel.majek@stuba.sk.
authors.forename: Pavel
authors.initials: P
authors.lastname: Májek
authors.affiliation: Institute of Analytical Chemistry, Faculty of Chemical and Food Technology, STU, Bratislava, Slovakia. Electronic address: jan.krupcik@stuba.sk.
authors.forename: Ján
authors.initials: J
authors.lastname: Krupčík
authors.affiliation: Institute of Analytical Chemistry, Faculty of Chemical and Food Technology, STU, Bratislava, Slovakia.
authors.forename: Roman
authors.initials: R
authors.lastname: Gorovenko
authors.affiliation: Institute of Analytical Chemistry, Faculty of Chemical and Food Technology, STU, Bratislava, Slovakia.
authors.forename: Ivan
authors.initials: I
authors.lastname: Špánik
authors.affiliation: Research Institute for Chromatography, Kennedypark 26, B-8500 Kortrijk, Belgium.
authors.forename: Pat
authors.initials: P
authors.lastname: Sandra
authors.affiliation: Department of Chemistry and Biochemistry, University of Texas, Arlington, TX, USA.
authors.forename: Daniel W
authors.initials: DW
authors.lastname: Armstrong
mesh_terms: D002849:Chromatography, Gas / Q000295:instrumentation* / Q000379:methods* / Q000592:standards; D003201:Computers; D006841:Hydrocarbons, Aromatic / Q000032:analysis; D013696:Temperature
chemical_list: D006841:Hydrocarbons, Aromatic
keywords: Computerized optimization; Flow modulated GC×GC; Individual column flow rates; Informational entropy and synentropy; Temperature gradient