<sup>13</sup>C NMR Spectroscopy of a Novel Amine Species in the DEAB–CO<sub>2</sub>–H<sub>2</sub>O system: VLE Model
Bibliographic record
Abstract
In the present work, ion speciation studies in solutions of the novel amine 4-(diethylamine)-2-butanol (DEAB), at various CO 2 loadings (0–0.8 mol of CO 2 /mol of amine) and amine concentrations (0.52–1.97 M), were determined by 13 C nuclear magnetic resonance (NMR) spectroscopy. In addition, the dissociation constant K of DEABH + was determined at 24.5, 35, and 45 °C using a pH meter. The ion speciation plot, which contains various sets of concentrations of DEAB, protonated DEAB, bicarbonate, and carbonate, was successfully generated. Because DEAB is a novel solvent, this is the first time that the ion speciation plots of the DEAB–CO 2 –H 2 O system have been developed. It is also the first time that the 13 C NMR calibration technique was applied to develop the vapor–liquid equilibrium (VLE) model for an amine–CO 2 –H 2 O system. The results obtained from the present work can be a great help for the further analysis of the DEAB VLE model, as well as CO 2 absorption and kinetics studies. Furthermore, it was found that the novel 13 C NMR calibration technique developed in this work provides higher accuracy than the conventional technique.
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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 | 0.002 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.001 | 0.002 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.003 |
| 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".