Predicting gas chromatographic separation and stationary-phase selectivity using computer modeling

Frank L. Dorman, Paul D. Schettler, Christopher M. English, Dinesh V. Patwardhant

Research output: Contribution to journalArticlepeer-review

14 Scopus citations

Abstract

A computer modeling technique has been developed which allows for the prediction of chromatographic separation and stationary-phase selectivity. This technique enables development of application-specific gas chromatographic columns by allowing for the simultaneous optimization of physical dimensions, flow and temperature programs, and stationary-phase composition. Stationary-phase selectivity is the most powerful tool available to achieve a separation; however most commercially available columns were not designed to have a selectivity specific to the separations for which they are used. The techniques described in this paper were developed to address this need.

Original languageEnglish (US)
Pages (from-to)2133-2138
Number of pages6
JournalAnalytical chemistry
Volume74
Issue number9
DOIs
StatePublished - May 1 2002

All Science Journal Classification (ASJC) codes

  • Analytical Chemistry

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