Simple and Accurate Calibration of the Flory–Huggins Interaction Parameter
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Bibliographic record
Abstract
This paper improves upon a standard method of determining the Flory–Huggins χ parameter, whereby experimental order–disorder transitions (ODTs) of symmetric diblock polymer melts are fit to the mean-field prediction, (χN)ODT = 10.495. The improvement is achieved by switching to an accurate prediction of (χN)ODT from Glaser et al. (Phys. Rev. Lett. 2014, 113, 068302), supplemented with corrections for the small degrees of polydispersity and compositional asymmetry that inevitably exist in real diblock polymers. The first correction is evaluated by simulating polydisperse diblocks over a wide range of invariant polymerization indices, and the second correction is extracted from analogous simulations for compositionally asymmetric diblocks by Ghasimakbari and Morse (Macromolecules 2020, 53, 7399). The resulting calibration method is then demonstrated on 19 different chemical pairs, using previously published experimental data. It provides a considerable increase in accuracy, but yet is nearly as simple to apply as the original version.
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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