Correlation of Activity Coefficients in Electrolyte Solutions Using a Kelvin Hard Sphere−Mean Spherical Approximation (K-MSA) Model
Bibliographic record
Abstract
A hard sphere system, using Kelvin tetrakaidekahedron cells, coupled with the mean spherical approximation (MSA), accurately correlates the mean ionic activity, and the individual activities of ions, in aqueous solutions of single 1:1 electrolytes. For the mean ionic activity coefficients, the diameter of the anion is fixed at the Pauling value and the cation diameter is a function of composition. Hydrated diameters of cations are realistic in comparison with Pauling values, and the like and unlike ionic pair correlation functions at contact value are positive in the whole concentration range. The use of a simpler version of the MSA has little effect on the results and dramatically reduces the computation time. The results obtained from the Kelvin mean spherical approximation, K-MSA model, compare favorably with those of other models. The correlation of individual ionic activity coefficients requires composition-dependent diameters for the cation and anion.
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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 | 0.001 | 0.002 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| 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".