Kinetics Study on the Sol−Gel Reactions in Supercritical CO<sub>2</sub> by Using In situ ATR-FTIR Spectrometry
Bibliographic record
Abstract
Direct sol−gel processing in supercritical CO 2 (scCO 2 ) has been of significant interest for synthesizing oxide nanomaterials, and the reactions of metal alkoxides with organic acids have been extensively used for preparing metal complex crystals; however, a kinetics analysis of these reactions has not been reported. In this research, in situ ATR-FTIR spectra were collected during the sol−gel synthesis of Si, Ti, and Zr oxides in scCO 2 . Because of overlapping of the IR peaks, it was difficult to directly correlate the optical absorbance with the analyte concentrations. To solve this problem, we used a chemometrics method, simple-to-use interactive self-modeling mixture analysis (SIMPLISMA), to calculate the concentration profiles. The precursor conversions and the intermediate concentration profiles under different synthesis conditions were obtained. The different kinetics profiles of Ti and Zr complexes in the sol−gel reactions were related to the activity of the metal complexes, and the competition of the various condensation reactions.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| 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) | 0.001 | 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 source (direct Gemma or distilled Codex), 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".