Quantification of titanium dioxide (TiO<sub>2</sub>) anatase and rutile polymorphs in binary mixtures by Raman spectroscopy: an interlaboratory comparison
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Bibliographic record
Abstract
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 (TiO 2 )—anatase and rutile—in binary mixtures. Some standard methods are currently employed internationally for the determination of TiO 2 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 TiO 2 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 TiO 2 phases.
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Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it