Binary CO<sub>2</sub>/H<sub>2</sub>O Adsorption on CO<sub>2</sub> Capture Metal–Organic Frameworks CALF-20, Al-Fumarate and CAU-10-H Using Microscale Dynamic Column Breakthrough
Bibliographic record
Abstract
This study reports the development of a quantitative microscale dynamic column breakthrough instrument to measure the competitive equilibrium loadings of CO 2 and H 2 O isotherms on small quantities (≈150 mg) of metal–organic framework (MOF) samples. The binary CO 2 and H 2 O equilibria were measured on CALF-20, Al-Fumarate and CAU-10-H, three MOFs of interest for postcombustion CO 2 capture at 30 °C and specifically since they show an S -shaped water isotherm. For Al-Fumarate and CAU-10-H, pure CO 2 and H 2 O competition was measured at 30 °C. For CALF-20, extensive mapping of the impact of CO 2 concentration and various water concentrations was performed at 30 °C. In all three MOFs, the CO 2 capacity is generally retained toward the left of the inflection point of the H 2 O isotherm. However CO 2 capacity drops toward the right of the inflection point, and the magnitude of the drop depends on the sharpness of the H 2 O isotherm. On the one hand, for Al-Fumarate and CAU-10-H the H 2 O isotherm was unaffected by CO 2 . On the other hand, for CALF-20, the presence of CO 2 impacts the H 2 O water isotherm, extending the relative humidity range over which the CO 2 capacity is retained. Using the ideal adsorbed solution theory to predict the binary equilibria revealed deviations from ideality for all three MOFs.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.002 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.001 | 0.003 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.004 | 0.008 |
| 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; both teacher heads agree on what is shown here.
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".