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Dehner, Taylor Accepted Thesis SP24.pdf (3.24 MB)

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Predicting Properties of Aged Detonators Using Partial Least Squares Regression With Ultrahigh Pressure Liquid Chromatography Coupled to Quadrupole Time of Flight Mass Spectrometry

Dehner, Taylor Renee
http://orcid.org/0009-0002-1430-3232
http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1713113164850535

Abstract Details

2024, Master of Science (MS), Ohio University, Chemistry and Biochemistry (Arts and Sciences).
Exploding bridge wire (EBW) detonators containing pentaerythritol tetranitrate (PETN) were aged alongside free flowing PETN powder in ovens ranging from 50 ˚C to 75 ˚C, for up to 18 months in order to evaluate physical properties such as threshold voltage and Fisher specific particle size as well as chemical changes. In order to evaluate the chemical changes, PETN and aged PETN from the detonators were analyzed using ultrahigh pressure liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UHPLC-QTOF) in order to measure degradation products formed during aging. Following chromatographic analysis, the data was imported into MATLAB utilizing a region of interest (ROI) code that compressed and filtered the data while also maintaining the true mass of ions. Partial least squares (PLS) models were then developed to compare chromatographic data to Fisher specific surface area and threshold voltage of the aged free flowing PETN powder and EBW detonators, respectively. Additionally, feature selection employing a relative standard deviation tile-based variance ranking was used on the chromatographic data to improve PLS models. The PLS models did not present a correlation between the chemistry and the physical properties of the samples even with the feature selection. However, feature selection was able to find significant chemical differences in the data.
Chris Freye (Advisor)
Katherine Cimatu (Advisor)
101 p.
Analytical Chemistry; Chemistry
UHPLC; UHPLC-QTOF; mass spectrometry; PETN; explosives; detonators; chemometrics; PLS-R; QTOF; explosives aging

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Citations

  • Dehner, T. R. (2024). Predicting Properties of Aged Detonators Using Partial Least Squares Regression With Ultrahigh Pressure Liquid Chromatography Coupled to Quadrupole Time of Flight Mass Spectrometry [Master's thesis, Ohio University]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1713113164850535

    APA Style (7th edition)

  • Dehner, Taylor. Predicting Properties of Aged Detonators Using Partial Least Squares Regression With Ultrahigh Pressure Liquid Chromatography Coupled to Quadrupole Time of Flight Mass Spectrometry. 2024. Ohio University, Master's thesis. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1713113164850535.

    MLA Style (8th edition)

  • Dehner, Taylor. "Predicting Properties of Aged Detonators Using Partial Least Squares Regression With Ultrahigh Pressure Liquid Chromatography Coupled to Quadrupole Time of Flight Mass Spectrometry." Master's thesis, Ohio University, 2024. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1713113164850535

    Chicago Manual of Style (17th edition)

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This open access ETD is published by Ohio University and OhioLINK.