Phase diagrams classification of thermoreversibly associating systems with due regard for mesoscopic cyclization effects
Bibliographic record
Abstract
We consider systems of f-functional monomers Af, capable of thermoreversible associating with an equilibrium Arrhenius association constant k=g0 exp(−E/T). Effects of the parameters f, g0, and E on the global phase behavior of these systems are analyzed within two theoretical approaches differing in the way to allow for the presence of closed trails of labile bonds (cycles). Within the Flory approximation, which takes into account the trails closed at infinity only (i) sol–gel transition (emergence of the infinite cluster of labile bonds) is only a geometric transition; (ii) the phase diagrams with one, two, or three critical solution temperatures could exist; (iii) there are no diagrams with three phase coexistence temperatures (triple points). On the contrary, as consistent within our new mesoscopic cyclization (MsC) approach (i) the sol–gel transition is a genuine first order phase transition accompanied by a heat effect and phase separation; (ii) the phase diagrams are more varied and could possess triple points as well as some other peculiarities. An explicit topological classification of all types of phase diagrams is given for both approaches via building (i) the phase portraits, i.e., separation of the plane (ln g0,E) into the regions corresponding to topologically similar phase diagrams, and (ii) typical phase diagrams on the (volume fraction, T) and (pressure, T) planes for all regions of these phase portraits. For MsC approach, the latent phase transition heats are also presented. Possible changes of the presented phase diagram classification for more complicated models (in particular, for systems with concurrent association) are discussed.
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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 | 0.000 | 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 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".