The Transition (vs ΔpK<sub>a</sub>) from Triple Ions to Free Cations in Poor Protic Ionic Liquids Made from Weak Acids
Bibliographic record
Abstract
In mixtures of amines with carboxylic acids, the limited ionicity at 1:1 stoichiometric mixtures is due to insufficient ionization or ion pairing in low-dielectric environments. Higher conductivities have historically been seen at roughly 4:1 acid/base mixing ratios, where simulations have revealed large (and thus more stable) ions: homoassociated anions (AH)(AH)(A−)(HA)(HA) and cationic triple ions (BH+)(AH)(A−)(HA)(HB+). Recent work in understanding the Gibbs energies for degree-of-ionization equilibria hints that there may be an onset, for systems with an acid-base pKa difference increasing towards 10, for the formation of free (unpaired) protonate-amine cations BH+. The transition with increasing ΔpKa is explored in this work, to aid in the prediction of ionicity and conductivity of protic ionic liquids.
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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 | 0.001 |
| 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 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.004 | 0.001 |
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".