Polycycloalkanes at the Helm: Exploring high energy density eFuel with norbornyl derivatives
Bibliographic record
Abstract
Sustainable aviation fuel (SAF, eFuel), predominantly composed of polycyclo-hydrocarbons, is a promising alternative to conventional fossil jet fuels . It offers cleaner options for achieving immediate carbon neutrality . This study focuses on norbornyl derivatives containing seven carbon atoms (C 7 H x ), including norbornadiene (NBD), quadricyclane (QC), norbornene (NBN), [2.2.1]propellane (PPL), and norbornane (NBA). These compounds are components of high energy density (HED) fuels or precursor molecules . Understanding their chemical electronic structures reveals how energy is stored in HED compounds. The carbon nuclear magnetic resonance ( 13 C NMR) chemical shifts and C1s core electron binding energy (CEBE) properties were calculated using density functional theory (DFT). The results suggest that saturated C–C single σ-bonds and strained polycycloalkane structures are the primary energy storage mechanisms for these hydrocarbons. This study provides valuable theoretical insights for the development of sustainable HED aviation fuel (eFuel).
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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 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 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".