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)nHB]+, as seen earlier with pyridine (PYR). Since this indicates that the ionization equilibrium reaction 2 B(HA)n ⇄ B(HA)nHB+ + 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 xB (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 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 | 0.001 | 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".