Unveiling the impact of regioisomerism defects in the glass transition temperature of PVDF by the mean of the activation energy
Bibliographic record
Abstract
ABSTRACT Alternating two groups, CH 2 and CF 2 , of very different polarities along the backbone chain of polyvinylidene fluoride (PVDF) leads to very interesting properties, such as ferroelectricity. However, these properties are affected by the presence of regioisomerism defects (monomer inversion) that appear during the synthesis. In this study, the influence of these defects on the glass transition temperature ( T g ) is regarded. Using molecular simulation, we investigated their plasticizer effect. To highlight their role in modifying polymer chain relaxation, the activation energy ( E a ) related with conformational transitions is computed. We show that a clear linear relationship can be established between E a and T g . E a is then separated into different contributions associated with each type of bond. Mobility of individual segments can thus be accounted separately from the mobility of the whole chain. As a consequence, T g of the alternate copolymer ethylene‐tetrafluoroethylene (E‐TFE), an isomeric polymer of PVDF, can be deduced. T g of this copolymer is still source of discussion in the literature. The resulting value, −97 °C, is found in good agreement with some experimental data, and also with T g extracted from simulated dilatometry. Consequently, local mobility of a polymer chain can be retrieved from the whole mobility, and vice versa. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017 , 55 , 419–426
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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".