Skeletal Chemical Kinetic Mechanisms for Syngas, Methyl Butanoate, <i>n</i>-Heptane, and <i>n</i>-Decane
Why this work is in the frame
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Bibliographic record
Abstract
Skeletal chemical kinetic mechanisms are presented for combustion analysis of a series of fuels of interest in combustion systems. These models are obtained from their respective detailed chemical kinetic models using the global species sensitivity method in a formulation referred to here as alternate species elimination (ASE), reflecting the alternate elimination of chemical species from a mechanism in order to assess the resulting effect on the prediction ability of the model. Ignition delay times are used as the target global combustion property for the assessment of the chemical influence of a species. Three ignition conditions of lean, stoichiometric, and rich fuel/air mixtures at a temperature and pressure of 1050 K and 15 atm, respectively, are used to generate data for the model reduction process. The skeletal mechanisms obtained from this ignition-based reduction are tested for their ability to predict premixed flame propagation and diffusion flame structure. It is found that, by imposing an appropriate threshold on the ranked normalized changes in ignition delay times, these skeletal models capture a broad range of combustion processes beyond the homogeneous ignition process used to deduce them. The skeletal mechanisms presented in this work include syngas (31 species), methyl butanoate (MB) (88 species), n -heptane (122 species), and n -decane (89 species). These skeletal models reflect a reduction of at least 60% in the number of chemical species with respect to the detailed model. They are recommended for use in further computational combustion analysis since they result in a reduction in computational costs, and are provided as Supporting Information to this article.
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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 it