title: Phenomenon of dual- and single-retention behaviors of solutes and its validation by computational simulation in linear programmed temperature gas chromatography.
abstract: The current theory of programmed temperature gas chromatography considers that solutes are focused by the stationary phase at the column head completely and does not explicitly recognize the different effects of initial temperature (To ) and heating rate (rT ) on the retention time or temperature of a homologue series. In the present study, n-alkanes, 1-alkenes, 1-alkyl alcohols, alkyl benzenes, and fatty acid methyl esters standards were used as model chemicals and were separated on two nonpolar columns, one moderately polar column and one polar column. Effects of To and rT on the retention of nonstationary phase focusing solutes can be explicitly described with isothermal and cubic equation models, respectively. When the solutes were in the stationary phase focusing status, the single-retention behavior of solutes was observed. It is simple, dependent upon rT only and can be well described by the cubic equation model that was visualized through four sequential slope analyses. These observed dual- and single-retention behaviors of solutes were validated by various experimental data, physical properties, and computational simulation.
authors.affiliation: Department of Molecular Biosciences and Bioengineering, University of Hawaii at Manoa, Honolulu, HI, USA.
authors.forename: Liejun
authors.initials: L
authors.lastname: Wu
authors.affiliation: Qingdao Entry-Exit Inspection and Quarantine Bureau, Qingdao, China.
authors.forename: Xiaojuan
authors.initials: X
authors.lastname: Duan
authors.affiliation: Institute of Oceanography, Chinese Academy of Sciences, Qingdao, China.
authors.forename: Chuanyu
authors.initials: C
authors.lastname: Liu
authors.affiliation: Office of Biostatistics and Quantitative Health Sciences, John A. Burns School of Medicine, University of Hawaii at Manoa, Honolulu, HI, USA.
authors.forename: Guangxiang
authors.initials: G
authors.lastname: Zhang
authors.affiliation: Department of Molecular Biosciences and Bioengineering, University of Hawaii at Manoa, Honolulu, HI, USA.
authors.forename: Qing X
authors.initials: QX
authors.lastname: Li
keywords: Gas chromatography; Programmed temperature gas chromatography; Retention models