Pinpointing the Onset of Water Harvesting in Reticular Frameworks from Structure
Why this work is in the frame
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Bibliographic record
Abstract
Covalent organic frameworks (COFs) have emerged as promising atmospheric water harvesters, offering a potential solution to the pressing global issue of water scarcity, which threatens millions of lives worldwide. This study presents a series of 2D COFs, including HCOF-3, HCOF-2, and a newly developed structure named COF-309, designed for optimized water harvesting performance with a high working capacity at low relative humidity. To elucidate their water sorption behavior, we introduce a hydrophilicity index directly linked to intrinsic properties, such as the strength and spatial density of adsorptive sites. This index is mathematically correlated to the step of water adsorption isotherms. Our correlation provides a predictive tool that extends to other microporous COFs and metal-organic frameworks, significantly enhancing the ability to predict their onset positions of water adsorption isotherms based on structural characteristics. This advancement holds the potential to guide the development of more efficient materials for atmospheric water harvesting.
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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