Probing the Structural Stability of and Enhanced CO<sub>2</sub> Storage in MOF MIL‐68(In) under High Pressures by FTIR Spectroscopy
Bibliographic record
Abstract
The unique structural topology of metal-organic framework (MOF) MIL-68, featuring two types of channels with distinct pore sizes, makes it a promising candidate for application in gas storage and separation. In this study, the behavior of as-made and activated MIL-68(In) was investigated in a diamond-anvil cell under high pressure by in situ IR spectroscopy. The framework exhibits high stability under compression up to 9 GPa, whereas the bridging OH groups appear to be very sensitive to compression. Pressure-induced structural modifications were found to be completely reversible for as-made MIL-68(In) but irreversible for the activated framework. Moreover, the addition of Nujol as pressure-transmitting medium makes the framework more resilient to pressure. Finally, when loaded with CO2, the framework exhibited interesting differential binding affinities with CO2 in the hexagonal and triangular pores at different pressures. The pressure-enhanced CO2 storage behavior and the guest-host interaction mechanism between CO2 and the MOF framework were explored with the aid of Monte Carlo simulations. These studies demonstrated great potential for MIL-68(In) in gas-storage applications that require extreme loading pressures.
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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 | 0.000 |
| 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 | 0.001 |
| 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".