Thermodynamic Properties and Speciation of Aqueous Methylpiperidines for Applications to Carbon Capture
Bibliographic record
Abstract
Novel alternatives to current carbon capture and sequestration technologies are being developed based on the interesting ability of certain amines, such as methylpiperidines (MP), to undergo liquid-liquid phase separation. This thesis reports the thermodynamic properties of (methylpiperidine + H2O) and (methylpiperidine + H2O + CO2) solutions as model systems for phase separating amines. The standard partial molar volumes and heat capacities for aqueous solutions of N-MP, and N-MP hydrochloride salts were determined by densimetry and calorimetry. A semi-empirical model was fitted to these values which could be used to improve the extrapolation accuracy of the room temperature thermodynamic properties of the amines up to high temperatures. Quantitative 13C NMR was used to determine the speciation and formation constants of aqueous 2-methylpiperidine carbamate, a species not previously reported in literature. Furthermore, the conformation of the carbamate was determined by 2D NMR and supported by density functional theory calculations.
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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".