Advancing Rare Earth Element Recovery from Coal Refuse Streams: An Ionic Liquid-Assisted Process Coupled with Molecular Dynamics Simulation-Supported Machine Learning for Novel Ionic Liquid Developmen

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Description

Advancing Rare Earth Element Recovery from Coal Refuse Streams: An Ionic Liquid-Assisted Process Coupled with Molecular Dynamics Simulation-Assisted Machine Learning for Novel Ionic Liquid Development Rick Honaker, Mostafa Khodakarami Abstract Rare earth elements (REEs) have become increasingly crucial due to the surging demands for electronics, electric vehicles, and the vital role that the REEs play in national security and the transition towards a clean energy economy. However, a significant concern has emerged regarding the supply chain of REEs, as the United States relies on offshore suppliers for over 95% of its consumed REEs. The combination of limited supply and pressing demand has prompted investigations into the potential recovery of REEs from alternative sources, including coal-related materials as a potentially promising resource. Researchers at the University of Kentucky have developed and tested novel processes at lab and pilot scales to recover REEs from coal-based sources such as coal refuse, coal mine acid drainage, and combustion byproducts. Despite significant technological advancements in recovery of critical elements from coal-based sources, the development and maturation of novel technologies are crucial to allow for cost-effective recovery of REEs from coal-based sources, reduction of environmental footprints, and addressing the challenges associated with unique mineralogical characteristics of REE-bearing phases in coal- based sources. In the pursuit of highly efficient technologies, studies on design and application of advanced and novel materials and reagents are essential. Among all the materials, ionic liquids (ILs) show promise as candidates for the separation and recovery of REEs, owing to their unique properties such as structural tunability, non-flammability, solvating power, and stability. This study proposes a process flowsheet that employs task-specific ILs in two stages, significantly enhancing the recovery of REEs from coal refuse streams. In one section of the process, a mechanochemical activation stage assisted with ILs is proposed to selectively induce disorders in minerals which REEs are associated with. The IL-assisted mechanochemical activation of the coal refuse samples reduces the energy consumption of the comminution process, eliminates the costly roasting process, and enhances the leachability of REEs while aiding in the decarbonization of the overall process. In another stage of the flowsheet, novel functional ILs comprising only incinerable atoms including carbon, oxygen, nitrogen, and hydrogen are proposed to substantially improve the loading capacity, kinetics, and separation factor in solvent extraction (SX) process, through the functionalization of both cationic and anionic components and the charge delocalization. The experimental work, coupled with machine learning approach assisted by coarse-grained molecular dynamics simulation, will provide a deeper insight into the structure-properties relationship, enabling the design of new IL structures with goal-oriented functionalities and determining the best candidates for selective separation of REEs.
StatusActive
Effective start/end date5/7/245/6/26

Funding

  • Department of Energy: $499,811.00

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