Determination of the oxidation state of iron by X-ray fluorescence spectroscopy using chemometric approaches
- Authors: Panchuk V.V.1,2,3, Rabdano N.O.2, Goidenko A.A.2, Grebenyuk A.V.1, Irkaev S.M.1, Semenov V.G.1,2
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Affiliations:
- Institute for Analytical Instrumentation
- Institute of Chemistry
- Faculty of Photonics
- Issue: Vol 72, No 6 (2017)
- Pages: 662-670
- Section: Articles
- URL: https://journals.rcsi.science/1061-9348/article/view/182510
- DOI: https://doi.org/10.1134/S1061934817040128
- ID: 182510
Cite item
Abstract
A possibility of identification of the oxidation state of iron by wavelength dispersive X-ray fluorescence spectroscopy using both the position and intensity of Lα and Lβ spectral lines of iron and by principal component analysis score data obtained by the decomposition of the spectral region corresponding to spectral L-series lines of iron is demonstrated. The application of scores ensures a more reliable identification in comparison with line parameters (position and intensity). Two approaches based on projection on latent structures (PLS) regression for the determination of the concentration of iron in different oxidation states are proposed. The first approach consists in using reference models with compositions similar to those of analyzed samples. In the second approach, PLS regression was build using model spectra obtained from spectra of readily available iron compounds.
About the authors
V. V. Panchuk
Institute for Analytical Instrumentation; Institute of Chemistry; Faculty of Photonics
Email: yax-light@yandex.ru
Russian Federation, St. Petersburg, 198095; St. Petersburg, 198504; St. Petersburg, 197101
N. O. Rabdano
Institute of Chemistry
Email: yax-light@yandex.ru
Russian Federation, St. Petersburg, 198504
A. A. Goidenko
Institute of Chemistry
Email: yax-light@yandex.ru
Russian Federation, St. Petersburg, 198504
A. V. Grebenyuk
Institute for Analytical Instrumentation
Author for correspondence.
Email: yax-light@yandex.ru
Russian Federation, St. Petersburg, 198095
S. M. Irkaev
Institute for Analytical Instrumentation
Email: yax-light@yandex.ru
Russian Federation, St. Petersburg, 198095
V. G. Semenov
Institute for Analytical Instrumentation; Institute of Chemistry
Email: yax-light@yandex.ru
Russian Federation, St. Petersburg, 198095; St. Petersburg, 198504