A computational study on new oxidizers as replacements for ammonium perchlorate: tetranitroacetimidic acid and tetranitroacetamide
Bibliographic record
Abstract
High energetic materials tetranitroacetimidic acid (TNAA) and tetranitroacetamide (NTNAA) with positive oxygen balance (OB = 30%) are highly potential replacements for ammonium perchlorate (AP). Tautomerization from TNAA to NTNAA is feasible, reflected by the activation energy of 160.2∼170.0 kJ/mol. No transition state appears on the C–NO2 bond breaking, which triggers pyrolysis of two compounds. The C–NO2 bond dissociation energies are 116.1∼167.2 kJ/mol and 120.4∼174.6 kJ/mol for TNAA and NTNAA, respectively. The chemical stabilities of TNAA and NTNAA are higher than that of the insensitive explosive 1,1-diamino-2,2-dinitroethylene. TNAA and NTNAA possess lower impact sensitivities (h50 ≥ 77.51 cm) than AP does. Detonation properties of the composite explosives containing TNAA or NTNAA are comparable with that of the composite explosives containing AP. The acceptable stabilities, highly positive OB, environmentally friendly decomposition products, and the comparable ability to improve detonation performance of composite explosives show that TNAA and NTNAA are potential replacements for AP as an oxidizer used in composite explosives.
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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 | 0.001 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.004 | 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".