Prediction of Rate Constants for Reactions of the Hydroxyl Radical in Water at High Temperatures and Pressures
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Bibliographic record
Abstract
There is a need for accurate data on the rate constants of many reactions involved in the radiolysis of water at high temperature and pressure, to model aqueous chemistry in the heat transport systems of water-cooled nuclear reactors. Given the absence of direct experimental data, it is usual to extrapolate rate constants from lower temperature measurements. However, recent studies of muonium kinetics show that rate constants go through a maximum and fall with temperature under near critical and supercritical conditions. This behavior can be explained by the cage effect, in particular the number of collisions between a pair of reactants over the duration of their encounter. The model developed for reactions of muonium is equally valid for fast reactions in the radiolysis of water. It is used here to estimate the rate constants of near diffusion-controlled reactions of hydroxyl radicals in sub- and supercritical water. The results show significant differences from literature values commonly used to model aqueous radiation chemistry in nuclear reactors. In view of this, it is recommended that the predictions of earlier models be reconsidered.
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Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| 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 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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 it