The origin of the conductivity maximum in molten salts. III. Zinc halides
Bibliographic record
Abstract
In a continuing effort to master the reasons for conductivity maxima vs temperature in semicovalent molten halides, the structure and some transport properties of molten zinc halide are examined with ab initio molecular dynamics. Molten zinc halides are a special class of molten salts, being extremely viscous near their melting point (with a glassy state below it) and low electrical conductivity, and since they are also known (ZnI2) or predicted (ZnBr2 and ZnCl2) to exhibit conductivity maxima, they would be useful additional cases to probe, in case the reasons for their maxima are unique. Strong attractive forces in ZnX2 result in tight tetrahedral coordination, and the known mixture of edge-sharing vs corner-sharing ZnX4 tetrahedra is observed. In the series zinc chloride → bromide → iodide, (i) the ratio of edge-sharing vs corner-sharing tetrahedra increases, (ii) the diffusion coefficient of Zn2+ increases, and (iii) the diffusion coefficient of the anion stays roughly constant. A discussion of conductivity, with focus on the Walden product W = ηΛe, is presented. With predicted Haven ratios of 1–15 when heated toward their conductivity maxima, the physical chemistry behind molten zinc halide conductivity does not appear to be fundamentally different from other semicovalent molten halides.
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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 | 0.000 | 0.001 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.003 | 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".