Quantification of titanium dioxide (TiO₂) anatase and rutile polymorphs in binary mixtures by Raman spectroscopy: an interlaboratory comparison

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Appendix B Rutile size 1	PDF	536 KiB
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DOI

Resolve DOI: https://doi.org/10.1088/1681-7575/acf76d

Author

Search for: Sacco, Alessio ORCID identifier: https://orcid.org/0000-0003-4421-840X; Search for: Mandrile, Luisa; Search for: Tay, Li-Lin¹; Search for: Itoh, Nobuyasu; Search for: Raj, Ankit ORCID identifier: https://orcid.org/0000-0002-2495-3354; Search for: Moure, Alberto; Search for: Del Campo, Adolfo; Search for: Fernandez, Jose F.ORCID identifier: https://orcid.org/0000-0001-5894-9866; Search for: Paton, Keith R.ORCID identifier: https://orcid.org/0000-0003-0300-8676; Search for: Wood, Sebastian ORCID identifier: https://orcid.org/0000-0002-8574-0475; Search for: Kwon, Hyuksang; Search for: Adel, Tehseen; Search for: Hight Walker, Angela R.; Search for: Martins Ferreira, Erlon Henrique; Search for: Theissmann, Ralf; Search for: Koch, Thomas; Search for: Giovannozzi, Andrea Mario; Search for: Portesi, Chiara; Search for: Rossi, Andrea Mario

Affiliation

National Research Council of Canada. Metrology Research Centre

Format

Text, Article

Subject

interlaboratory comparison; titanium dioxide; Raman spectroscopy; machine learning; machine learning

Abstract

This article presents an interlaboratory comparison (ILC) on Raman spectroscopy as a technique for relative quantification of the two most common polymorphs of titanium dioxide (TiO₂)—anatase and rutile—in binary mixtures. Some standard methods are currently employed internationally for the determination of TiO₂ content in samples (ISO 591-1, ASTM D3720-90), but require extensive sample preparation, do not distinguish between the two polymorphs or are accurate only for small fractions of either polymorph. Raman spectroscopy is a well-suited characterization technique for measuring and differentiating TiO₂ in a fast, non-invasive way, while requiring no particular reagent or sample preparation. Eleven international participants conducted the study under the framework of Versailles Project on Advanced Materials and Standards. The collected data was analyzed by means of partial least squares regression after spectral preprocessing. The resulting models all show discrepancies of lower than 2% from the nominal values in the quantitative analysis over the concentration range of 5%–95% mixture fractions, with many datasets showing substantial improvement margins on this figure. The results of this ILC provide validation of Raman spectroscopy as a reliable method for quantification of TiO₂ phases.

Publication date

2023-09-19

Publisher

IOP

Licence

Creative Commons, Attribution 4.0 International (CC BY 4.0)
https://creativecommons.org/licenses/by/4.0/

Language

English

Peer reviewed

Yes

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Record identifier

d9d1ce83-cba7-4d6b-b3a1-2c4cc05acd91

Record created

2024-05-09

Record modified

2024-05-09

Date modified:: 2024-06-30