Probing the Interaction Mechanism between Benzohydroxamic Acid and Mineral Surface in the Presence of Pb<sup>2+</sup> Ions by AFM Force Measurements and First-Principles Calculations
Bibliographic record
Abstract
Probing the interaction mechanism between organic molecules and material surfaces in the presence of metal ions is of great importance in many fields, such as mineral flotation. The collectability of benzohydroxamic acid (BHA) to a spodumene (LiAl(SiO 3 ) 2 ) mineral surface during mineral flotation could be enhanced with the addition of metal ion activators—Pb 2+ ions. Pb 2+ ions could be added as either Pb–BHA complex formed by premixing Pb 2+ ions and BHA molecules at a given ratio or sequential addition of Pb 2+ ions and BHA molecules. However, the complete understanding of the interaction mechanisms (e.g., adhesion) between BHA and the spodumene mineral surface in the presence of Pb 2+ ions remains very limited. In this study, atomic force microscopy (AFM) was used to measure the intermolecular forces between BHA and the spodumene mineral surface in aqueous solutions. A BHA model molecule, that is, N -hydroxy-4-mercaptobenzamide (MBHA), was synthesized to prepare a BHA-functionalized AFM probe for force measurements. Two model systems (i.e., a Pb–BHA complex interacting with the spodumene mineral surface (model I) and BHA with a Pb 2+ -activated spodumene surface (model II)) were investigated for comparing the role of Pb 2+ in BHA–mineral adhesion. The adhesion measured for model I (23.7 mN/m) is much higher than that of model II (12.5 mN/m), as further supported by the adsorption energies obtained from density functional theory (DFT) calculations. The calculation results showed a higher adsorption energy for model I (∼188.58 kJ/mol) than model II (∼128.16 kJ/mol), which is due to the better spodumene flotation recovery for the Pb–BHA complex as a collector than the sequential addition of Pb 2+ and BHA. This work provides useful information on the intermolecular interactions between chemical additives and mineral surfaces in complex mineral flotation processes, and the methodology can be readily extended to other related interfacial processes such as membrane technology, water treatment, oil production, and bioengineering processes.
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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 | 0.001 | 0.000 |
| Research integrity | 0.001 | 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".