| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
REWAS 2025: Automation and Digitalization in Recycling Processes
|
| Presentation Title |
Insights to Rare Earth Element Separation and Recovery through Molecular Dynamics Modeling |
| Author(s) |
John A. Howarter, Kaustubh Bawankule, Cassidy J Holdeman |
| On-Site Speaker (Planned) |
John A. Howarter |
| Abstract Scope |
Critical minerals are known to 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 discrimiate across elements are needed. Diglycolamide (DGA)-based ligands in mineral acid solutions were evaluated for the selective separation of rare earth elements (REEs) from industrial wastes. Recovery efficiency and element selectivity were quantified using ICP-OES and used as the basis for a simple technoeconmic 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 optimization. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Recycling and Secondary Recovery, Sustainability, |