Salt-Induced Phase Separation of Water and Cyclohexane within a Kaolinite Nanopore: A Molecular Dynamics Study
Bibliographic record
Abstract
Using a molecular dynamics simulation, the behavior of water and cyclohexane confined in a model clay (kaolinite) nanopore (∼4–6 nm) was studied at 298.15 K and 1 atm. On a dry clay basis, the water weight concentration ranged from 6 to 30% while that of cyclohexane was kept at 14%. The formation of water bridge(s) connecting the two basal surfaces was observed at all concentrations. Upon analyzing the surface potentials using the Gouy–Chapman theory, the observation was found to be attributed to the overlapping of the positive potential (octahedral) and the negative potential (tetrahedral) of the two surfaces in the interior region of such a confined environment. The wettability of the tetrahedral sheet was found to be dependent on the water content. Larger areas of this surface would become water-wet with the increase in water concentration to minimize the contact area between the oil and water phases. Addition of sodium chloride to the aqueous phase at the concentrations of 0.1, 0.5, and 1 M substantially improved the wetting of basal surfaces. At the highest salt concentration, breakage of the water bridge was observed, and a phase-separated, three-layer structure (water–cyclohexane–water) was formed within the nanopore because of the screening effect of the adsorbed counterions.
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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) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 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".