A Simulation Study of Phase Behavior of Double-Hydrophilic Block Copolymers in Aqueous Solutions
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Bibliographic record
Abstract
The phase behavior of double-hydrophilic AB diblock copolymers in concentrated aqueous solutions is investigated using a simulated annealing technique. Phase diagrams of the system are constructed as a function of the volume fraction and concentration of the copolymer (Φ) as well as the hydrophilicity difference between the two blocks. Rich phase transition sequences, especially reentrant phase transitions, such as lamellae → gyroid → hexagonally packed cylinders → gyroid → lamellae → disorder, are observed for a given copolymer with decreasing Φ. By analyzing the variations of the average contact numbers between the A or B monomers and solvents, and of the effective volume fractions, the mechanisms of the reentrant, the order–order, and the order–disorder transitions are elucidated. The difference in hydrophilicity or in volume fraction can be used to tune the degree of swelling of the two blocks, resulting in a nonmonotonic variation of the effective volume fraction of the A (or B)-rich domain with the decrease of Φ, thus inducing the reentrant transitions. Our results are compared with those from available experiments, theory, and simulation and also with the simulation result of an amphiphilic diblock copolymer.
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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)
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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