Molecular dynamics study on the dissolution behaviors of poly(vinyl acetate)‐polyether block copolymers in supercritical <scp>CO<sub>2</sub></scp>
Bibliographic record
Abstract
Abstract Poly(vinyl acetate) (PVAc) could be dissolved in CO 2 at a high pressure, which limits its application. In this work, the PVAc‐polyether block copolymers were constructed by introducing the CO 2 ‐philic blocks poly(propylene oxide) (PPO) and poly(ethylene oxide) (PEO) into the PVAc molecules to increase the solubility of these polymers in supercritical CO 2 (scCO 2 ). The dissolution behaviors of PVAc‐polyether copolymers with different structures in scCO 2 were investigated by the molecular dynamic simulation methods. First, the cohesive energy and solubility parameters of PVAc, PVAc‐PEO, and PVAc‐PPO copolymers were analyzed. Moreover, the mechanism of PVAc‐polyether copolymers dissolving in CO 2 was investigated. The results show that PVAc‐PPO molecules have a higher solubility in CO 2 because they have lower polymer–polymer and higher polymer‐CO 2 interactions than PVAc and PVAc‐PEO. Among the three structures of PVAc‐PPO molecules, PVAc‐PPO‐PVAc (VPV) has a highest solubility in CO 2 . Therefore, the molecular composition and structure have greatly influences on the interactions of polymer and CO 2 .
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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 | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 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".