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Critical mineralsCritical minerals exist in trace amounts in a range of industrial waste, such as fly ash, various metallurgical slags, and phosphogypsum from fertilizer production. In all cases, ability to extract valuable resources from the existing byproduct streams faces technical challenges due to the complex mixture of available minerals in the unprocessed material. Methods to efficiently discriminate across elements are needed. Diglycolamide (DGA)-based ligands in mineral acid solutions were evaluated for the selective separation of rare earth elementsRare earth elements (REEs) from industrial wastes. RecoveryRecovery efficiency and element selectivity were quantified using ICP-OES and used as the basis for a simple technoeconomic model. Experimental findings were interpreted through additional molecular dynamics simulations of DGA phase behavior in presence of REE cations. Simulations provided insight to extraction capacity and energy of association between cation and surfactant allowing for further process optimizationProcess optimization.

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Insights to Rare Earth Element Separation and Recovery Through Molecular Dynamics Modeling

  • 会议论文

  • 发表日期：

    2025年

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  • John A. Howarter,
  • Kaustubh Bawankule,
  • Cassidy J. Holdeman

摘要

Critical mineralsCritical minerals exist in trace amounts in a range of industrial waste, such as fly ash, various metallurgical slags, and phosphogypsum from fertilizer production. In all cases, ability to extract valuable resources from the existing byproduct streams faces technical challenges due to the complex mixture of available minerals in the unprocessed material. Methods to efficiently discriminate across elements are needed. Diglycolamide (DGA)-based ligands in mineral acid solutions were evaluated for the selective separation of rare earth elementsRare earth elements (REEs) from industrial wastes. RecoveryRecovery efficiency and element selectivity were quantified using ICP-OES and used as the basis for a simple technoeconomic model. Experimental findings were interpreted through additional molecular dynamics simulations of DGA phase behavior in presence of REE cations. Simulations provided insight to extraction capacity and energy of association between cation and surfactant allowing for further process optimizationProcess optimization.