Retention time prediction in thermally modulated comprehensive two-dimensional gas chromatography: Correcting second dimension retention time modeling error

Roman Jaramillo, Frank L. Dorman

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

Thermodynamic retention modeling to a thermally modulated comprehensive two-dimensional gas chromatography (GC × GC) system run under constant flow is performed. Significant errors in modeled second dimension retention time (t r,2 ) were observed, in line with past work on thermally modulated GC × GC modeling. A comprehensive study of t r,2 modeling error for alkane separations across a wide range of heating ramp rates and carrier gas flow rates was performed. Modeling errors were found to be systematic and a function of analyte elution temperature and mobile phase velocity. A model to account for these systematic errors was generated, and associated coefficients were determined which reduced average t r,2 retention time error in 144 hydrocarbon separations by an order of magnitude resulting in significant improvement in prediction accuracy. The model was used to correct the separation of 139 Grob mix analyte separations, providing an average t r,2 modeling error of 0.030 ± 0.022 s. The model successfully predicted the separation of n-alkanes on a longer second dimension column configuration.

Original languageEnglish (US)
Pages (from-to)116-124
Number of pages9
JournalJournal of Chromatography A
Volume1581-1582
DOIs
StatePublished - Dec 21 2018

All Science Journal Classification (ASJC) codes

  • Analytical Chemistry
  • Biochemistry
  • Organic Chemistry

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