Speciation-Based Chemical Equilibrium Model of CaSO<sub>4</sub> Solubility in the H + Na + Ca+ Mg + Al + Fe(II) + Cl + SO<sub>4</sub> + H<sub>2</sub>O System
Bibliographic record
Abstract
This work describes a self-consistent unified chemical model for calculating the solubility of CaSO 4 phases in the H + Na + Ca+ Mg + Al + Fe(II) + Cl + SO 4 + H 2 O system from low to high solution concentration within the temperature range of 298−353 K. The model was built with the aid of OLI Systems platform via the regression of new solubility data of calcium sulfate dihydrate in HCl or HCl + CaCl 2 aqueous solutions containing various metal chloride salts, such as NaCl, MgCl 2, FeCl 2, and AlCl 3 . Via this regression analysis, new Bromley−Zemaitis activity coefficient model parameters and empirical dissociation constant parameters were determined for many ion pairs consisting of cations (Na +, Mg 2+, Fe 2+, and Al 3+ ) and anions, HS, and Al ), as well as for the species MgSO 4 (aq), AlS, and Al . The new model was shown to successfully predict the solubility of calcium sulfate phases in multicomponent systems not used in model parametrization. The new model is used to explain the complex effect metal chlorides have on the solubility of CaSO 4 phases on the basis of governing metal−sulfate speciation equilibria.
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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) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.000 |
| 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".