Hydration of Hexafluoroacetone on Ice
Bibliographic record
Abstract
We unravel the fate of hexafluoroacetone (HFA), a PFAS degradation product, on ice by combining surface science and DFT. Temperature-programmed desorption (TPD) and X-ray photoelectron spectroscopy (XPS) experimentally show that HFA diffuses into the ice film and readily and completely reacts to form the diol (1,1,1,3,3,3-hexafluoropropane-2,2-diol). Desorption energies were measured for HFA from the underlying substrate (Pt(111)) for the desorption of the ice film and for the diol as 44, 52, and 62 kJ/mol, respectively. Calculations show that the formation of the diol is favorable on the ice surface by at least 29 kJ/mol. This study is fundamental to better understand the reactivity of HFA on ice in atmospheric conditions since it clearly demonstrates that the diol will dominate reactivity with ice in the environment.
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 | 0.000 | 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 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".