title: Contribution to linearly programmed temperature gas chromatography. Further application of the Van den Dool-Kratz equation, and a new utilization of the Sadtler retention index library.
abstract: Programmed temperature retention indices (PTRIs) calculated according to the equations of Van den Dool and Kratz, Golovnya and Uraletz, and Erdey et al. (also referred to as Antoine's integrated equation) are used in this work. Precalculation of isotherm retention indices from the results of a linearly programmed temperature GC is also presented. Deviations between experimental and calculated isothermal retention indices are below 2 retention index units. A relative "volatility" retention index is defined, as a function of the "volatilities"of the solute and the bracket reference n-alkanes. The comparison of the "volatility" retention indices with the PTRIs obtained with the other above equations shows absolute deviations of up to 4 retention index units. Based on an earlier "equivalent" temperature concept and on Tekler's proviso, a novel way for the utilization of Sadtler's retention index database, which takes advantage of the 3 data supplied by the library, is proposed.
authors.affiliation: Instituto de Química Física Rocasolano, CSIC, Department of Structure and Molecular Dynamics, C. Serrano 119, 28006 Madrid, Spain. santius@iqfr.csic.es
authors.forename: José M
authors.initials: JM
authors.lastname: Santiuste
authors.forename: Géza
authors.initials: G
authors.lastname: Tarján
authors.forename: Ede
authors.initials: E
authors.lastname: Ullrich
authors.forename: József M
authors.initials: JM
authors.lastname: Takács
mesh_terms: D000473:Alkanes / Q000302:isolation & purification; D001555:Benzene Derivatives / Q000302:isolation & purification; D002849:Chromatography, Gas / Q000379:methods*; D008962:Models, Theoretical; D009795:Octanes / Q000302:isolation & purification; D012984:Software; D013696:Temperature
chemical_list: D000473:Alkanes; D001555:Benzene Derivatives; D009795:Octanes; C004912:ethylbenzene; C017573:nonane; C026728:octane