Effect of alkyl chain length on the clustering of molten triacylglycerols
Bibliographic record
Abstract
• A reduction of N C with increase in temperature is observed. • The glycerol-glycerol attraction in the small molecules is larger than in the bigger molecules. • TAGs form clusters via intermolecular attractions between glycerol cores. • The average number of molecules per cluster increases with the alkyl chain length. • The solid-state structure of TAGs is affected by their molten state. The alkyl chain length of triacylglycerols affects the average number of molecules per cluster ( N C ) in the molten state. These numbers are estimated for the homologous series trilaurin (C12), trimyristin (C14), tripalmitin (C16), and tristearin (C18). N C values are estimated from experimental results of in-house and synchrotron x-ray scattering and small angle neutron scattering. The temperatures are between 473 K (200 °C) and 5 K below the melting point of each polymorph. Numerical simulations were performed as well for a subset of these conditions. As for tripalmitin, a reduction of N C with increase in temperature is observed in the other materials. For trilaurin (C12), N C is between 6 at 473 K and 7.5 at 313 K. For tristearin (C18) this number ranges from 8 at 473 K to 10 at 335 K. For trimyristin (C14) and tripalmitin (C16) the values of are in between. Thus, N C increases with alkyl chain length. This trend arises from the competition of the attractive forces between the glycerol cores and the alkyl chains against the mobility of the molecules due to their kinetic energy. Although the relative glycerol-glycerol attraction in the small molecules is larger than in the bigger molecules, the bigger molecules have less mobility. This reduction in mobility predominates in the determination of N C .
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How this classification was reachedexpand
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 | 0.001 | 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 itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, 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".