Limited Ionicity in Protic Ionic Liquids: Organic Acid/Trialkylamine Mixtures
Bibliographic record
Abstract
The nature of the ions present in mixtures of trialkylamines (B) with carboxylic acids (HA) is discussed. New ab initio molecular dynamics (AIMD) simulations of mixtures of triethylamine (TEA) with acids here reveal the same cation type, the large complex [B(HA) n HB] + , as seen earlier with pyridine (PYR). Since this indicates that the ionization equilibrium reaction 2 B(HA) n ⇄ B(HA) n HB + + A(HA) n-1 − is perhaps more general than for pyridine systems, a new analysis derives ∆G for this equilibrium reaction from experimental conductivities, viscosities, and densities, as a function of x B (mole fraction of B in the acid/base mixture). The results show that large Walden constant values, which might be indicative of Grotthuss H + conductivity mechanisms, are not needed except for formic-acid-rich mixtures.
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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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| 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 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".