Gradient Copolymers by ATRP in Semibatch Reactors: Dynamic Monte Carlo Simulation
Why this work is in the frame
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Bibliographic record
Abstract
Abstract We developed a dynamic Monte Carlo model for ATRP in semibatch reactors. Semibatch reactors can be used to produce gradient copolymers even if the difference between the reactivity ratios of the comonomers is not significant by using different comonomer feed policies. The model was used to predict average molecular weights, polydispersity index, copolymer composition and complete distributions of molecular weight, chemical composition, and comonomer sequence length at any polymerization time. Two case studies, poly[styrene ‐co‐ (methyl methacrylate)] and poly[acrylonitrile ‐co ‐(methyl methacrylate)], were chosen to demonstrate the effect of comonomer feed compositions on the final chemical composition distribution of the copolymer. magnified image
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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