Hydrodeoxygenation of 4-Methylphenol over Unsupported MoP, MoS<sub>2</sub>, and MoO<sub><i>x</i></sub> Catalysts
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Bibliographic record
Abstract
A study of the hydrodeoxygenation (HDO) of 4-methylphenol over unsupported, low-surface-area MoS 2, MoO 2, MoO 3, and MoP catalysts is reported. With the exception of MoO 3, the catalysts had the same physicochemical properties before and after the 5 h reaction at 623 K and 4.40 MPa H 2 . The used MoO 3 was partially reduced to a mixed oxide containing Mo 4 O 11, MoO 2, and Mo. Compared to the unused MoO 3, the used MoO 3 CO uptake increased by a factor of 100 following the reaction. The partially reduced Mo oxide catalyst had a high conversion for the HDO of 4-methylphenol because of Brønsted acid sites and the formation of anionic vacancies. The catalyst turnover frequency (TOF) based on CO uptake for the HDO of 4-methylphenol decreased in the order MoP > MoS 2 > MoO 2 > MoO 3, while the activation energy increased in the order of MoP < MoS 2 < MoO 2 < MoO 3 . The activity trends correspond to the increased electron density of the Mo among the catalysts. Two primary reactions, C−O hydrogenolysis to yield toluene and saturation of 4-methylphenol followed by rapid dehydration to produce 4-methylcyclohexene, were identified. The catalysts differed in their hydrogenation and isomerization capabilities. The MoP catalyst displayed the highest selectivity toward hydrogenated products, suggesting that the rate-limiting step over MoO 3, MoO 2, and MoS 2 was the saturation of 4-methylphenol to produce 4-methylcyclohexanol.
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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 | 0.000 | 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