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Tools and Methodologies for The Rapid Determination and Transfer of Thermodynamic Parameters used in the Prediction of Gas Chromatographic and Two Dimensional Comprehensive Gas Chromatographic Retention Times Open Access

Descriptions

Other title
Subject/Keyword
Gas Chromatography
Thermodynamics
Retention time prediction
Type of item
Thesis
Degree grantor
University of Alberta
Author or creator
McGinitie, Teague M
Supervisor and department
Harynuk, James (Chemistry)
Examining committee member and department
McDermott, Mark (Chemistry)
Klobukowski, Mariusz (Chemistry)
Lucy, Charles (Chemistry)
Seeley, John (External)
Department
Department of Chemistry
Specialization

Date accepted
2014-08-29T08:58:27Z
Graduation date
2014-11
Degree
Doctor of Philosophy
Degree level
Doctoral
Abstract
Three parameter thermodynamic predictive models have been shown previously to provide superior accuracy in the prediction of gas chromatographic retention times in comparison to other forms of modelling such as retention indices. However, these models suffer from the need for extensive experimentation to generate the data required to make their predictions. This then limits the applicability of the method to real world situations. This thesis sets out to explore new methods and techniques that reduce the required experimentation necessary to make thermodynamic based retention time predictions in gas chromatography. Three main ideas are explored in the process of reducing experimentation: the automation of thermodynamic data collection, the adaptation of thermodynamic collection models from isothermal to temperature programmed based experimentation and a method to rapidly transfer thermodynamic data from one chromatographic system to the next. Along with the above stated goals, this research sets out to develop models for the prediction of retention times in two dimensional gas chromatography using three parameter thermodynamic data. Two dimensional separations are also used to validate the methods and concepts mentioned previously.
Language
English
DOI
doi:10.7939/R3P26QB9J
Rights
Permission is hereby granted to the University of Alberta Libraries to reproduce single copies of this thesis and to lend or sell such copies for private, scholarly or scientific research purposes only. Where the thesis is converted to, or otherwise made available in digital form, the University of Alberta will advise potential users of the thesis of these terms. The author reserves all other publication and other rights in association with the copyright in the thesis and, except as herein before provided, neither the thesis nor any substantial portion thereof may be printed or otherwise reproduced in any material form whatsoever without the author's prior written permission.
Citation for previous publication
“Comprehensive multidimensional separations for the analysis of petroleum” K.D. Nizio, T.M. McGinitie, J.J. Harynuk. J Chromatography A. Volume 1255, (2012) SI pages,12-23.“Considerations for the automated collection of thermodynamic data in gas chromatography.” T.M. McGinitie and J.J. Harynuk. J Separation Science Volume 35, (2012) pages 2228-2232“Rapid determination of thermodynamic parameters from one-dimensional programmed-temperature gas chromatography for use in retention time prediction in comprehensive multidimensional chromatography” T.M. McGinitie, H. Ebrahimi-Najafabadi, J.J. Harynuk. J Chromatography A. Volume 1325, (2014) pages 204-212.“A standardized method for the calibration of thermodynamic data for the prediction of gas chromatographic retention times.” T.M. McGinitie, H. Ebrahimi-Najafabadi, J.J. Harynuk. J of Chromatography A. Volume 1330, (2014) pages 69-73.“Prediction of retention times in comprehensive two-dimensional gas chromatography using thermodynamic models.” T.M. McGinitie and J.J. Harynuk. J Chromatography A. Volume 1255, (2012) pages 184-189.

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