Thermochemistry of Sulfones Relevant to Oxidative Desulfurization
Bibliographic record
Abstract
Abstract Oxygen can react with thioethers and thiophenes to produce sulfones, which is the first reaction step in an oxidative desulfurization process. Thermal decomposition of the sulfone-containing compounds to remove sulfur as SO2 could be part of the final recovery step in such a process. The thermochemistry of selected acyclic aliphatic (dimethyl sulfone and di-n-butyl sulfone), cyclic aliphatic (tetrahydrothiophene 1,1-dioxide and 2,5-dihydrothiophene 1,1-dioxide), acyclic aromatic (diphenyl sulfone), and aromatic (thianaphthene 1,1-dioxide and dibenzothiophene 5,5-dioxide) sulfones was studied. The melting point temperature, enthalpy of fusion, and vapor pressure data are reported. The onset of thermal decomposition of acyclic aliphalic sulfones and sulfones attached to two aromatic groups took place at >350 ?C and was inconsistent with the low values for the homolytic bond dissociation energy of these sulfones. The onset of thermal decomposition of five-membered cyclic sulfones in a terminal ring, irrespective of whether it was aliphatic or aromatic, took place at <300 ?C. The more facile elimination of SO2 from cyclic sulfones present in a terminal ring structure appeared to proceed by an addition reaction, followed by elimination of SO2. This reaction pathway was consistent with the decomposition products that were identified.
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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".