Kinetics modelling of 2‐butene metathesis over tungsten oxide containing mesoporous silica catalyst
Bibliographic record
Abstract
This article reports the activity, reaction mechanism and reaction kinetics of 2‐butene metathesis over tungsten oxide containing mesoporous silica (SBA‐15) catalyst. Physicochemical characterisation of the catalyst indicates that the dispersion and nature of tungsten oxide species on the catalyst are mainly responsible for the metathesis activity. The ample availability of Brønsted acid sites created by tetrahedrally co‐ordinated tungsten species also enhances the metathesis reaction. The product analysis indicates that lower temperature favours the butene isomerisation, while higher temperature is required for metathesis. The high temperature is also responsible for cracking reactions. A kinetics model is developed based on the experimental observations and the possible reactions including isomerisation, metathesis and cracking. The model parameters are estimated by fitting the experimental data implemented in MATLAB. The estimated apparent activation energy of 2‐butene isomerisation reaction was found to be the lowest (39.4 kJ/mol) among the competing reactions. The activation energy of cross metathesis of 2‐butene and 1‐butene, self‐metathesis of 1‐butene and 2‐butene cracking are 71.3, 176.9 and 73.1 kJ/mol, respectively. These results are consistent to the product selectivity and the proposed reaction scheme, which suggests that the isomerisation of 2‐butene gives 1‐butene and it further reacts (cross metathesis) with 2‐butene to produce propylene.
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How this classification was reachedexpand
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 | 0.000 |
| 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) | 0.000 | 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 itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, 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".