Structure–activity relationships over Ru/NiAl2O4 catalysts in anisole demethoxylation: spectroscopic and kinetic studies
Bibliographic record
Abstract
Abstract Demethoxylation was kinetically and spectroscopically studied over three catalysts with different Ru0/Ruδ+ ratios. In-situ spectroscopic tests demonstrated that the synergy between Ru0 and Ruδ+ was crucial, and Ru0 was in charge of H2 activation and adsorption of aromatic ring while Ruδ+ adsorbed with O in methoxyl. A Langmuir–Hinshelwood kinetic model was proposed, and ratio of Ru0/Ruδ+ was the key in deciding the rate-determining step (RDS): i) desorption of toluene was RDS over catalyst with high Ru0 ratio; ii) dissociation of H2 was RDS over Ruδ+ enriched catalyst; iii) demethoxylation was rate-determined by CO water–gas shift (WGS) when Ru0/Ruδ+ approached ~ 1. The best performance was obtained over Ru/NiAl2O4-200, which effectively enabled both C-O bond activation and rapid recovery of adsorption sites for aromatic rings. Finally, in-situ DRIFT studies on methoxy decomposition and CO-WGS unraveled that the electronic composition of Ru was more stable in Ru/NiAl2O4-200 which contributes to its excellence.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| 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 | 0.000 |
| 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) | 0.001 | 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 itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".