Diffusivity and hydration of hydrazine in liquid and supercritical water through molecular dynamics simulations and split-flow pulse injection experiments
Bibliographic record
Abstract
The diffusion properties and hydration structure of hydrazine in an aqueous solution are investigated through molecular dynamics simulations and split-flow pulse injection experiments. The simulations are performed from ambient conditions along the liquid side of the liquid-vapor coexistence curve, up to the critical point, and in the supercritical region at temperatures of 673, 773, 873, and 973 K and at densities ranging from 0.1 to 0.8 g cm(-3). The spatial distributions functions for hydrated water are presented. At ambient conditions, hydrazine is hydrated by 24 water molecules with about 1.6 H-bonds being donated to each nitrogen atom. The hydration number decreases with temperature along the coexistence curve and is seen to increase with system density in the supercritical region. At low density supercritical conditions, hydrazine has no appreciable hydration structure and is surrounded by only 2 water molecules at 873 K and 0.1 g cm(-3). The diffusion coefficients for hydrazine at subcritical state conditions are found to be in agreement with Stokes-Einstein and Wilke-Chang predictions. The diffusion coefficients in the supercritical region are found to correlate more closely with the overall fit to the Dymond equation.
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How this classification was reachedexpand
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 itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, 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".