Dielectric response of concentrated NaCl aqueous solutions: Molecular dynamics simulations
Bibliographic record
Abstract
Molecular dynamics simulations are performed to study the dielectric response of concentrated NaCl aqueous solutions. The extended simple point charge interaction potential for water molecules and the Higgis–Mayer potential for ion–ion interactions are used. The ion–ion and ion–water distributions are examined for 1 M solution at 298, 373 and 473 K. The solvate-separated ion pairs with the Na+–Cl− separation of about 5.0 Å are found to form preferentially at ambient temperature. The close contact pairs with the ion–ion separation of 2.9 Å tend to form in high temperature solution. The 3D water–ion arrangements are revealed with the aid of the spatial distribution function. The Na+–O–Cl− angle in the solvate-separated ion pairs is found to be close to 106°. The correlation times of translations, τT, and rotations, τR, for water molecules in the solvation shells of the cation and anion are determined. The frequency-dependent dielectric permittivity and absorption coefficient for the concentrated NaCl solution are calculated over wide temperature range. The origin of the complex dielectric spectra for concentrated NaCl solution is analyzed.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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".