Study of entropy-driven self-assembly of rigid macromolecules
Bibliographic record
Abstract
A simple model composed of two rigid macromolecules (adsorbents) immersed in a large number of small molecules (adsorbates) is used to study entropy-driven association processes. The surfaces of the adsorbents are capable of adsorbing the smaller adsorbates. The partition function of the model is obtained analytically. The probability of dimerization and the number of adsorbed molecules are shown to depend on the enthalpy and the entropy differences between the assembled and the disassembled states. Under certain conditions, dimerization of the macromolecules occurs with increasing temperature. This entropy-driven self-assembly is originated from an overall entropy gain due to the release of the adsorbed small molecules, leading to a large peak in the heat capacity due to the dimer formation. The desorption of the adsorbates induces a sharp change in the first-order derivative of the free energy, resulting in another large peak in the heat capacity. A temperature-induced re-entrance into the dimer state is also contained in the model.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| 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".