NMR Studies of Amine Species in MEA−CO<sub>2</sub>−H<sub>2</sub>O System: Modification of the Model of Vapor−Liquid Equilibrium (VLE)
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Bibliographic record
Abstract
Speciation studies in aqueous monoethanolamine (MEA) solution at different CO 2 loadings have been conducted via nuclear magnetic resonance (NMR) spectroscopy. The results showed that the diagnostic peaks corresponding to the MEA and the protonated amine (MEAH + ) observed by 1 H NMR spectroscopy were gradually shifted downfield, whereas the corresponding 13 C peaks were shifted upfield as the CO 2 loading increased. Quantitatively, the molar fraction of the carbamate was obtained by integration of the relevant peak areas in the 1 H NMR spectra while the molar fractions of free MEA and MEAH + were determined according to the MEAH + dissociation constant and pH value of the solution. Furthermore, as the CO 2 loading increased, the fraction of free MEA dropped steadily, while the ratio of carbamate and MEAH + increased monotonically. The molar ratio of the carbamate reached its maximum at a CO 2 molar loading of 0.5. The data obtained from this study have led us to propose a modification to the current vapor−liquid equilibrium (VLE) model for this system.
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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 | 0.001 | 0.002 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| 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 it