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

  • Thermodynamics
  • Retention time prediction
  • Gas Chromatography

• 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.