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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

  • Author / Creator
    McGinitie, Teague M
  • 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.

  • Subjects / Keywords
  • Graduation date
    Fall 2014
  • Type of Item
    Thesis
  • Degree
    Doctor of Philosophy
  • DOI
    https://doi.org/10.7939/R3P26QB9J
  • License
    This thesis is made available by the University of Alberta Libraries with permission of the copyright owner solely for non-commercial purposes. This thesis, or any portion thereof, may not otherwise be copied or reproduced without the written consent of the copyright owner, except to the extent permitted by Canadian copyright law.
  • Language
    English
  • Institution
    University of Alberta
  • Degree level
    Doctoral
  • Department
  • Supervisor / co-supervisor and their department(s)
  • Examining committee members and their departments
    • Seeley, John (External)
    • Klobukowski, Mariusz (Chemistry)
    • McDermott, Mark (Chemistry)
    • Lucy, Charles (Chemistry)