Raman spectroscopy of uranium compounds and the use of multivariate analysis for visualization and classification

• Verfasst von: Ho Mer Lin, Doris [VerfasserIn]
• Verfasst von: Jones, Andrew E. [VerfasserIn]
• Verfasst von: Goulermas, John Y. [VerfasserIn]
• Verfasst von: Turner, Philip [VerfasserIn]
• Verfasst von: Varga, Zsolt [VerfasserIn]
• Verfasst von: Fongaro, Lorenzo [VerfasserIn]
• Verfasst von: Fanghänel, Thomas [VerfasserIn]
• Verfasst von: Mayer, Klaus [VerfasserIn]
• Titel: Raman spectroscopy of uranium compounds and the use of multivariate analysis for visualization and classification
• Verf.angabe: Doris Mer Lin Ho, Andrew E. Jones, John Y. Goulermas, Philip Turner, Zsolt Varga, Lorenzo Fongaro, Thomas Fanghänel, Klaus Mayer
• E-Jahr: 2015
• Jahr: 14 March 2015
• Umfang: 8 S.
• Fussnoten: Gesehen am 03.09.2020
• Titel Quelle: Enthalten in: Forensic science international
• Ort Quelle: Amsterdam [u.a.] : Elsevier Science, 1978
• Jahr Quelle: 2015
• Band/Heft Quelle: 251(2015), Seite 61-68
• ISSN Quelle: 1872-6283
• DOI: doi:10.1016/j.forsciint.2015.03.002
• Datenträger: Online-Ressource
• Sprache: eng
• Sach-SW: Multi-variate analysis
• Sach-SW: Nuclear forensics
• Sach-SW: Raman spectroscopy
• Sach-SW: Uranium ore concentrates
• K10plus-PPN: 1728791952

Abstract

Raman spectroscopy was used on 95 samples comprising mainly of uranium ore concentrates as well as some UF4 and UO2 samples, in order to classify uranium compounds for nuclear forensic purposes, for the first time. This technique was selected as it is non-destructive and rapid. The spectra obtained from 9 different classes of chemical compounds were subjected to multivariate data analysis such as principal component analysis (PCA), partial least square-discriminant analysis (PLS-DA) and Fisher Discriminant Analysis (FDA). These classes were ammonium diuranate (ADU), sodium diuranate (SDU), ammonium uranyl carbonate (AUC), uranyl hydroxide (UH), UO2, UO3, UO4, U3O8 and UF4. Unsupervised PCA of full spectra shows fairly good distinction among the classes with some overlaps observed with ADU and UH. These overlaps are also reflected in the poorer specificities determined by PLS-DA. Higher values of sensitivities and specificities of remaining compounds were obtained. Supervised FDA based on reduced dataset of only 40 variables shows similar results to that of PCA but with closer clustering of ADU, UH, SDU, AUC. As a rapid and non-destructive technique, Raman spectroscopy is useful and complements existing techniques in multi-faceted nuclear forensics.