Experimental and ab Initio Investigations of H<sub>2</sub>S-Assisted Propane Oxidative Dehydrogenation Reactions
Bibliographic record
Abstract
The oxidative dehydrogenation (ODH) reaction of propane was investigated at temperatures between 923 and 1023 K using either O2 or O2/H2S mixture as oxidant. GC analysis of the product mixtures showed that ethylene was the major olefin product in the conventional ODH reaction whereas propylene became dominant when H2S was included in the feed gas. With an oxygen-rich feed (4:2:2 C3H8:O2:H2S), ∼ 70% propane conversion, and ∼ 50% propylene selectivity could be achieved at 1023 K, a level of performance comparable to that for the ODH reaction employing reducible solid oxide catalysts. Theoretical calculations utilizing CBS-QB3 method were also conducted to explore the causes of the enhanced propylene yield and selectivity of the H2S-assisted ODH reaction. It was found that the increased propane conversion was due to a large enthalpy gain from the in situ formation of S2 that compensated for the high energy cost of hydrogen abstraction by SH and S2H. Also, the promoted propylene selectivity was attributed to the instability of the sulfur-containing products, which made the reaction route to propylene the most thermodynamically favored.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.007 | 0.001 |
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".