Activation Energy of Crystallization for Trihydroxystearin, Stearic Acid, and 12-Hydroxystearic Acid under Nonisothermal Cooling Conditions
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Bibliographic record
Abstract
The nucleation activation energy under nonisothermal cooling conditions was determined for 12-hydroxystearic acid (12HSA) (1-D crystals), stearic acid (2-D crystals), and trihydroxystearin (3-D crystals). The relative nucleation rates of trihydroxystearin and stearic acid were inversely proportional to the supercooling-time trajectory parameter (β), while 12HSA was linearly proportional to β. The differences in the proportionality to β are attributed to microscopic versus macroscopic phase separation. This suggests that both stearic acid and trihydroxystearin follow a probability density function for the number of molecules which crystallize as a function of supercooling (i.e., the greater the cooling rate, the greater the number of molecules which are incorporated into the crystal lattice). On the other hand, 12HSA molecules all crystallize when supercooled. The activation energies for stearic acid, 12HSA, trihydroxystearin, and triglycerides were 1.52, 5.40, 7.87, and 24.80 kJ/mol, respectively. The activation energy is partly affected by the polarity of the crystallizing molecules relative to the solvent. As the polarity of the crystallizing molecules increases, the activation energy decreases. However, this was not always observed because the activation energy for stearic acid was less than that of 12HSA. Therefore, the activation energy is not only a function of the molecular polarity but also due to a specific interaction between the nucleating molecules. The specific interaction affects the ability of the polar regions of the molecule to phase separate from the apolar solvent. As 12HSA and stearic acid dimerize, the carboxylic acid regions of the molecule are shielded from the solvent, but 12HSA cannot effectively shield the hydroxyl groups from the crystalline surface, resulting in a higher interfacial tension and, thus, higher activation energy.
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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