Recycling of rare earths with ionic liquid solvents: Bridging the gap between molecular modelling and process design

Lead Research Organisation: University of Manchester
Department Name: Chem Eng and Analytical Science

Abstract

While rare earth metals are used in relatively small quantities, they play a major role in cutting edge technologies, such as electronics, information technology and in automobile industries. These metals are used in the high-powered magnets used in computers, they are components of wind-turbines and electric cars, they are used in fluorescent lights and in several catalytic processes. Roughly 86% of all rare earths come from China. This has been recognised as a significant risk to be so dependent on one country. Unfortunately the UK possesses very few rare-earth containing minerals, but what it can do to become more self-sufficient is to recycle the rare-earths that are in waste-piles. Currently the UK has little activity in this area, but recent parliamentary reports draw attention to the need for protecting the supply of rare earths and one foresees a growing effort in this area.

The UK does possess, however, a strong scientific base in the reprocessing of nuclear fuel using liquid-liquid extraction. We have worked in this area, alongside the National Nuclear laboratory. The knowledge gathered from these activities can usefully be re-chanelled into designing efficient extraction methodologies for the chemically-related rare earths. This is our intention.

We will focus on the extraction of the rare-earth, Samarium, from waste high-powered magnets using ionic liquids as extractants. Our aim to to scale-up the chemical processes currently investigated by the Binnemans group in Leuven, Belgium. While we believe our general methodology can usefully be applied to many, disparate processes, our focus will be on three systems. Our proposal is firstly to study these systems at a molecular level, using molecular dynamics simulations, to understand the molecular structures that form during the extraction process. Secondly we shall use these insights to construct soundly based, reliable thermodynamic models so that we can predict system properties over a range of temperatures and compositions. Thirdly we will simulate and evaluate an industrial-scale extraction process, incorporating these models. Finally, one the basis of these models, we will liaise with the Binnemans group so that yet more optimised ionic liquids can be synthesised for rare earth extractions.

Planned Impact

This work will have an economic and societal impact due to the processes designed to recycle rare earths. As noted before, rare earth metals play a vital role in computers, wind turbines, electric cars, computer parts and a host of other high-technology applications. A means to recycle these metals can thus help protect the supply and thereby contribute to wide variety of important economic and societal issue.

Our main aim is to show that a close collaboration between process engineers, molecular modellers and chemists can lead to optimised materials for extraction and optimised extraction processes. While we believe this is a good model for future chemical engineering activity, our specific studies into neodymium extraction from magnets will have a direct industrial impact on engineering and processing practice.

Within a 20 year time-frame, we believe the UK will need to have an extensive recycling program for rare-earths, and indeed other materials of strategic importance. This has already been noted in various parliamentary inquiries. It is this important to develop both the materials and the tools to make such extraction as economical and efficient as possible. Our strategy, although focussed on neodymium extraction, can be applied to all rare earths and, indeed, many other systems. We are hopeful that we can incorporate our research into real industrial practice in the not-too-distant future, with all the associated economic, security and sustainability advantages.

Publications

10 25 50
 
Description We have developed force fields to study rare earth ions and Co(II) and Ni(II) in aqueous solution and have carried out successful simulations of the ionic liquid and the aqueous/ionic liquid interface. We used COSMO-Rs for activity modelling. We have written and verified our own SAFT program. This will be used to model the equation of state of the aqueous phase.and the equilibrium properties of our systems. In addition we have obtained new experimental measurements on the density, surface tension and hear capacities of the ionic liquids loaded with metal. We have shown that the driving force for the separation of Co(II) and Ni(II) using ionic liquids is the favourable transfer of chloride ions from the ionic liquid to We have developed flow sheet models for the extraction of Co(II) and Ni(II) and the results have now been published. We have discovered the underlying reasons why Co(II) is extracted to the ionic liquid while Ni(II) is not. This is connected with the fact that Co(II) exists as an anionic complex, whereas the corresponding complex of Ni(II) is cationic. the driving force for extraction is actually the migration of chloride ions from one phase to the other. This is in the process of being written-up.
Exploitation Route Hopefully our discovery of the driving forces for ionic liquid extraction will aid the design of new, effective ionic liquids for extracting metals.
Sectors Chemicals,Environment,Manufacturing, including Industrial Biotechology

 
Description The methodology used in this research was based on a combination of atomistic simulations and flow-sheet modelling. We are still looking to complete some papers based on the atomistic simulation part of the work, but the ideas developed in this project have been applied to related extraction problems, in particular that of the extraction of long-lived actinides from the residue left over at the end of a nuclear reactor cycle. This has fed into the flow-sheet modelling used by the National Nuclear Laboratory.
First Year Of Impact 2019
Sector Energy
Impact Types Economic

 
Title The role of cations in the extraction of metals by ionic liquids 
Description Using atomistic simulation, we analysed the thermodynamic driving forces to understand why cobalt (II) extracted into our ionic liquid but nickel (II) did not. this was surprising as both metals are very similar. The answer appears to be that the process is driven by a back-flow of counter-ions. This flow has to take place in order to preserve electrical neutrality, but actually also is critical for the process to work. Because the counter-ions are not directly involved in complexation with the metal, this effect had been overlooked. We believe that a knowledge of this effect will help with the design on more effective ionic liquids for use in extraction. 
Type Of Material Improvements to research infrastructure 
Year Produced 2018 
Provided To Others? No  
Impact We were looking for further data before finalising our publications but this is something that is still important and requires writing-up.