title: Solvation parameter model of comprehensive two-dimensional gas chromatography separations.
abstract: A solvation parameter model was used to generate comprehensive two-dimensional gas chromatography (GC x GC) retention diagrams for 54 solutes on four different stationary phase combinations. Retention diagrams are plots used to predict the relative position of solutes in GC x GC chromatograms. In this study, retention diagrams were based entirely on solute and stationary phase descriptors taken from the literature. The temperature-averaged values of the stationary phase descriptors were used to further simplify the model. The relative positions of the solutes in the retention diagrams were compared with experimentally obtained GC x GC chromatograms. Excellent agreement was observed for each column combination. The model was found to generate primary retention time predictions with standard errors that were approximately 1% of the range of the experimental values and secondary retention time predictions with standard errors that were approximately 5% of the range of the experimental values. It is concluded that the GC x GC solvation parameter model is sufficiently accurate to aid in the identification of optimal column combinations.
authors.affiliation: Oakland University, Department of Chemistry, Rochester, MI 48309, USA. seeley@oakland.edu
authors.forename: John V
authors.initials: JV
authors.lastname: Seeley
authors.forename: Elise M
authors.initials: EM
authors.lastname: Libby
authors.forename: Kimberly A Hill
authors.initials: KA
authors.lastname: Edwards
authors.forename: Stacy K
authors.initials: SK
authors.lastname: Seeley
mesh_terms: D002849:Chromatography, Gas / Q000379:methods*; D004867:Equipment Design; D016014:Linear Models; D008956:Models, Chemical; D009930:Organic Chemicals / Q000737:chemistry*; D012997:Solvents / Q000737:chemistry*; D013696:Temperature
chemical_list: D009930:Organic Chemicals; D012997:Solvents