Effect of confinement on the adsorption behavior of inorganic and organic ions at aqueous–cyclohexane interfaces: a molecular dynamics study
Bibliographic record
Abstract
) at the concentration of 1.0 M. At the interface of each of the solutions with neat cyclohexane, there existed an ion depletion zone. The more strongly hydrated ions, such as calcium and hydroxide, were more intensely depleted from the interface as compared to sodium and chloride. Such surface exclusion led to interfacial tension increases, with greater increments for solutions containing calcium or hydroxide. Upon addition of sodium decanoate to the cyclohexane phase, they partly migrated to the aqueous-organic interface, and the remaining formed inverted micelle complexes. Also, a small fraction of the solvated cations in the aqueous phase drifted to the depletion zone to interact with the organic anions, with their affinity towards the interface still being controlled by their hydration-strength. When such systems were confined in a kaolinite nanopore, behavior of decanoate anions - which were found to be prone to strong adsorption to solid surfaces in the absence of any aqueous solution - was determined by the nature of the solvated ions in water. In these systems, the more weakly-hydrated ionic species exhibited preferential adsorption to the solid surface, while affinity of the more strongly-hydrated ones was towards remaining within the water layers or to the aqueous-organic interface. With the calcium chloride solution, almost all of the organic ions were detached from the surface and adsorbed at the aqueous-cyclohexane interface. This was caused by the release of double amount of inorganic anions by this 1 : 2 salt, the inner-sphere adsorption of majority of chloride anions to the octahedral surface, and the higher charge density of calcium cations.
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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 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| 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".