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 CO2 at a high pressure, which limits its application. In this work, the PVAc‐polyether block copolymers were constructed by introducing the CO2‐philic blocks poly(propylene oxide) (PPO) and poly(ethylene oxide) (PEO) into the PVAc molecules to increase the solubility of these polymers in supercritical CO2 (scCO2). The dissolution behaviors of PVAc‐polyether copolymers with different structures in scCO2 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 CO2 was investigated. The results show that PVAc‐PPO molecules have a higher solubility in CO2 because they have lower polymer–polymer and higher polymer‐CO2 interactions than PVAc and PVAc‐PEO. Among the three structures of PVAc‐PPO molecules, PVAc‐PPO‐PVAc (VPV) has a highest solubility in CO2. Therefore, the molecular composition and structure have greatly influences on the interactions of polymer and CO2.
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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) | 0.000 | 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) | 0.001 | 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".