Theoretical Modelling of Hierarchically Associated Structures in Hydrophobically Modified PNIPAM Aqueous Solutions on the Basis of a Neutron Scattering Study
Bibliographic record
Abstract
Abstract We developed a theoretical model for a self‐assembling telechelic poly(N‐isopropylacrylamide) (PNIPAM) carrying octadecyl end‐groups in aqueous solution, as a function of temperature and concentration, on the basis of small‐angle neutron scattering data. In solutions of concentration 10 g L−1 at temperatures between 10 and 20 °C, the telechelic PNIPAM of molecular weight of 22,200 g mol−1 associates in the form of flower micelles containing about 12 polymer chains. Micelles have a 3‐layered core‐shell morphology with an inner core consisting of the octadecyl units, a dense inner shell consisting of partly collapsed PNIPAM chains, and an outer shell of swollen hydrated PNIPAM chains. Drastic changes in the scattering profile of the solution heated above 31 °C are attributed to the formation of mesoglobules of diameter of 100 nm consisting of about 1000 polymer chains. In solutions of lower concentration (1 g L−1), association of flower micelles and mesoglobules is suppressed. The structure of the individual flower micelles and mesoglobules is not affected by changes in concentration. In solutions of 50 g L−1, a peak attributed to a correlation between flower micelles appears in the scattering profiles at low temperature (10 °C). Despite the difference in the population of intermicellar bridges, the overall temperature dependence of the scattering profile at 50 g L−1 remains similar to that at 10 g L−1.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 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 source (direct Gemma or distilled Codex), 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".