A spectrophotometric study of Fe(II)-chloride complexes in aqueous solutions from 10 to 100°C
Bibliographic record
Abstract
The absorption spectra of Fe(II)-chloride solutions were measured in both the UV (ultraviolet) and near-IR (near infrared) regions at temperatures ranging from 10 to 100°C with chloride concentrations from 0.1 to 16 mol kg -1 . The stability constants of all Fe(II)-chloride complexes were derived from the spectra using a non-negative nonlinear least-squares computer program (SQUAD). Earlier work on this system reported in the literature was rigorously reassessed. The activity coefficients of the ionic species were calculated using both the Pitzer model and the Helgeson model. The results obtained with UV and near-IR spectra and with different activity coefficient calculation models are in general agreement. Other useful thermodynamic data, including the Gibbs energies, enthalpies, and entropies for complex formation, were also obtained. It was found that the Fe(II)-chloride complexes gradually undergo a configuration transformation from octahedral to tetrahedral coordination as the temperature and (or) chloride concentration increases. This coordination change is of significant importance to the nuclear reactors, as the presence of the tetrahedral complex can increase the solubility of iron in steam generator crevices.Key words: Fe(II)-chloride complexes, stability constants, solution thermodynamics, spectrophotometry, reactor chemistry.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| 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".