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A Molecular Scale Approach to Rare Earth

Robert C. Chapleski, Jr., Azhad U. Chowdhury

2026enrare-earthbeneficiationflotationspectroscopydensity functional theory

Abstract

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Separating rare-earth-element-rich minerals from unwanted gangue in mined ores relies on selective binding of collector molecules at the interface to facilitate froth flotation. Salicylihydroxamic acid (SHA) exhibits enhanced selectivity for bastnäsite over calcite in microflotation experiments. Through a multifaceted approach, leveraging density functional theory calculations, and advanced spectroscopic methods, we provide molecular-level mechanistic insight to this selectivity. The hydroxamic acid moiety introduces strong interactions at metal-atom surface sites and hinders subsurface-cation stabilization at vacancy-defect sites, particularly in calcite. Resulting from hydrogen-bond-induced interactions, SHA lies flat on the bastnäsite surface and shows a tendency for multilayer formation at high coverages. In this conformation, SHA complexation with bastnäsite metal ions is stabilized, leading to advanced flotation performance. In contrast, SHA lies perpendicular to the calcite surface due to a difference in cationic spacing. These insights are anticipated to motivate the rational design and selection of future collector molecules for enhanced ore beneficiation.

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Cite This Work

@article{b4eca00a-e006-4011-a921-f9809dc7c0bf,
  title={A Molecular Scale Approach to Rare Earth},
  author={Robert C. Chapleski and Jr. and Azhad U. Chowdhury},
  year={2026},
  language={en}
}
TY  - JOUR
TI  - A Molecular Scale Approach to Rare Earth
AU  - Robert C. Chapleski
AU  - Jr.
AU  - Azhad U. Chowdhury
PY  - 2026
LA  - en
ER  -

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