Abstract
This paper presents an extension of a previous investigation in which the behavior of nonpolar compounds in temperature-programmed gas chromatographic runs was predicted using thermodynamic (entropy and enthalpy) parameters derived from isothermal runs. In a similar manner, entropy and enthalpy parameters were determined for a Grob standard mixture of compounds with widely varying chemical characteristics. These parameters were used to predict the retention times and chromatographic behaviors of the compounds on four gas chromatography capillary columns: three that had phenyl-based stationary phases (with degrees of substitution of 0%, 5% and 50%) and one with (50%) cyanopropyl substitution. The predictions matched data empirically obtained from temperature-programmed chromatographic runs for all of the compounds extremely well, despite the wide variations in polarity of both the compounds and stationary phases. Thus, the results indicate that such simulations could greatly reduce the time and material costs of chromatographic optimizations.
Similar content being viewed by others
References
Snijders H, Janssen H-G, Cramers C (1995) J Chromatogr A 718:339–355
Castello G, Vezzani S, Moretti P (1993) J Chromatogr A 635:103–111
Castello G, Vezzani S, Moretti P (1996) J Chromatogr A 742:151–160
Aldaeus F, Thewalim Y, Colmsjö A (2007) Anal Bioanal Chem 389:941–950
Vezzani S, Moretti P, Castello G (1997) J Chromatogr A 767:115–125
Chen JP, Liang XM, Zhang Q, Zhang LF (2001) Chromatographia 53:539–547
Vezzani S, Moretti P, Castello G (2004) J Chromatogr A 1055:151–158
Dose EV (1987) Anal Chem 59:2414–2419
Bautz DE, Dolan JW, Daddatz WD, Snyder LR (1990) Anal Chem 62:1560–1567
Bemgård A, Colmsjö A, Wrangskog K (1994) Anal Chem 66:4288–4294
Akporhonor EE, Le Vent S, Taylor DR (1987) J Chromatogr 405:67–76
Boström C-E, Gerde P, Hanberg A, Jernström B, Johansson C, Kyrklund T, Rannung A, Törnqvist M, Victorin K, Westerholm R (2002) Environ Health Persp 110:451–489
Castello G, Moretti P, Vezzani S (1993) J Chromatogr 635:103–111
Vezzani S, Moretti P, Castello G (1994) J Chromatogr A 677:331–343
Dados AE, Stalikas CD, Pilidis GA (2004) Chromatographia 59:335–341
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Thewalim, Y., Aldaeus, F. & Colmsjö, A. Retention time prediction of compounds in Grob standard mixture for apolar capillary columns in temperature-programmed gas chromatography. Anal Bioanal Chem 393, 327–334 (2009). https://doi.org/10.1007/s00216-008-2295-2
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s00216-008-2295-2