Solid–Liquid Equilibria for Hexafluorophosphate-Based Ionic Liquid Quaternary Mixtures and Their Corresponding Subsystems
Bibliographic record
Abstract
The present work describes an experimental study and the thermodynamic modeling for the solid–liquid phase diagram of an ionic liquid quaternary system constituted by hexafluorophosphate ([PF 6 ] − ) as the common anion and by 1-methyl-3-propylimidazolium ([C 3 mim] + ), 1-methyl-1-propylpyrrolidinium ([C 3 mpyrr] + ), 1-methyl-3-propylpyridinium ([C 3 mpy] + ), or 1-methyl-1-propylpiperidinium ([C 3 mpip] + ) as the cations. The Modified Quasichemical Model was used to model the liquid solution, and the Compound Energy Formalism was used for the relevant solid solutions. The liquidus projections of the four ternary subsystems (1) [C 3 mim][PF 6 ]–[C 3 mpip][PF 6 ]–[C 3 mpyrr][PF 6 ], (2) [C 3 mpy][PF 6 ]–[C 3 mpip][PF 6 ]–[C 3 mpyrr][PF 6 ], (3) [C 3 mpip][PF 6 ]–[C 3 mpy][PF 6 ]–[C 3 mim][PF 6 ], and (4) [C 3 mpyrr][PF 6 ]–[C 3 mpy][PF 6 ]–[C 3 mim][PF 6 ] were predicted using a standard symmetric (for systems 3 and 4) or asymmetric (for systems 1 and 2) interpolation method. In order to test the accuracy of the thermodynamic model, two isoplethal sections were experimentally measured in each of the four ternary systems using differential scanning calorimetry. Overall, agreement was very satisfactory, not requiring fitting of any ternary interaction parameters for the liquid solution model. In each of the four calculated ternary liquidus projections, the region of composition corresponding to room temperature ionic liquid mixtures was determined. The global minimum of the liquidus temperature in the complete composition space was calculated to be about −16 °C, with a mole percentage composition of (33.8% [C 3 mpyrr][PF 6 ] + 33.9% [C 3 mpy][PF 6 ] + 32.3% [C 3 mim][PF 6 ]).
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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 | 0.001 |
| 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".