Prediction of retention times and peak widths in temperature-programmed gas chromatography using the finite element method
2009 (English)In: Journal of Chromatography A, ISSN 0021-9673, E-ISSN 1873-3778, Vol. 1216, no 1, 134-139 p.Article in journal (Refereed) Published
Optimization of separations in gas chromatography is often a time-consuming task. However, computer simulations of chromatographic experiments may greatly reduce the time required. In this study, the finite element method was used to predict the retention times and peak widths of three analytes eluting from each of four columns during chromatographic separations with two temperature programs. The data acquired were displayed in predicted chromatograms that were then compared to experimentally acquired chromatograms. The differences between the predicted and measured retention times were typically less than 0.1%, although the experimental peak widths were typically 10% larger than expected from the idealized calculations. Input data for the retention and peak dispersion calculations were obtained from isothermal experiments, and converted to thermodynamic parameters.
Place, publisher, year, edition, pages
2009. Vol. 1216, no 1, 134-139 p.
Gas chromatography, Finite elements, Chromatogram prediction, Computer simulation, Optimization
IdentifiersURN: urn:nbn:se:su:diva-60380DOI: 10.1016/j.chroma.2008.11.038ISI: 000262576000015OAI: oai:DiVA.org:su-60380DiVA: diva2:435353
authorCount :32011-08-182011-08-162012-02-08Bibliographically approved