Phd Degree / Doktora

Permanent URI for this collectionhttps://hdl.handle.net/11147/2869

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Subject: search.filters.subject.Chemometrics

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  • Doctoral Thesis
    Development of New Chemometrics Approaches To Determine Physical and Chemical Properties of Crude Distillation Unit Products Based on Molecular Spectroscopy
    (01. Izmir Institute of Technology, 2022) Meşe Sezen, Ayten Ekin; Özdemir, Durmuş
    Crude distillation units are the first processing units of crude oils based on fractional distillation. The properties of the petroleum products obtained from refinery units are frequently analyzed to ensure that the off-spec product cannot be obtained and that the process is working under the desired conditions. This study aims to develop a method based on multivariate data analysis to determine physical and chemical properties of petroleum samples as an alternative to time-consuming and conventional analytical methods. Four different petroleum products obtained from CDU for years were selected and used in this study, which are heavy and light diesel, heavy and light straight run naphtha. Four different spectroscopic methods which are UV-Vis, Fluorescence, FT-NIR and FTIR-ATR spectroscopy, were performed and compared. Multivariate calibration models were developed using Partial least Squares (PLS) and Genetic Inverse Least Squares (GILS) algorithms. For heavy and light diesel, predictive performance of three different spectroscopic methods were compared and for heavy diesel UV-Vis spectroscopy, for light diesel FT-NIR spectroscopy was selected for most of the parameters. Developed models by fluorescence analysis of light diesel samples conducted with two different measurement modes and synchronized fluorescence spectral data has resulted in better models compared to total fluorescence spectra. Studies with straight run naphtha samples were obtained from three different refineries and prediction performances were compared. All obtained model results indicates that developed methodology can be used in routine operations instead of conventional analytical methods.
  • Doctoral Thesis
    Effect of Harvest Time, Malaxation Tempetature and Olive Variety on the Chemical Characteristics of Olive Oils
    (Izmir Institute of Technology, 2016) Jolayemi, Olusola Samuel; Tokatlı, Figen; Özen, Fatma Banu
    Changes in chemical and quality characteristics of olive oils were evaluated with respect to pre and post-harvest factors such as: olive type, harvest time, malaxation temperature, and storage at room temperature. Additionally, discriminative and predictive capacities of UV-vis, near infrared (NIR), mid infrared (MIR) spectra and electronic nose data on olive oils by using multivariate statistical tools were studied. Varietal and harvest time differences were the most significant factors influencing the quality and chemical properties of Ayvalik and Memecik olive oils. Malaxation temperature was significant on a number of phenolic compounds such as tyrosol, hydroxytyrosol and pinoresinol, and peroxide value. Olive oils of early and mid-harvest were higher in phenolic alcohols, and pigments content, whereas peroxide values, linoleic and stearic acids characterized late harvest oils. Storage for 15 months at room temperature in dark facilitated evolution of some important phenols, while increasing the content of ethyl and methyl esters at varying degrees among varieties. There were no significant changes in fatty acids and acidity contents of the oils. However, total phenol content and oxidative stability declined and a significant depletion of colors and pigments contents occurred. Multivariate regression analysis indicated that lipid-based variables are the most consistent contributors (positive or negative) to olive oil oxidative stability. UV-vis, MIR, NIR spectroscopies and e-nose data were excellent varietal and harvest season discriminating tools. Pigments were well predicted by UV-vis, while MIR performs better in the prediction of fatty acids, alkyl esters, oxidative stability and free fatty acid.