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Analysis of Using a Hybrid ZIRCEX Process to Generate High-Assay Low-Enriched Uranium (HALEU) - 20158

Idaho National Lab (INL) is investigating the feasibility of providing High-Assay Low Enriched Uranium (HALEU) by recovering Highly Enriched Uranium (HEU) from spent nuclear fuel (SNF) and downblending the HEU with natural, low-enriched, or depleted uranium (NU, LEU, or DU). That investigation identified that significant quantities of HALEU could be produced with a Hybrid ZIRCEX process to further advanced reactor research while reducing INL's environmental liability. Many new advanced reactor designs are being developed with improved safety, efficiency, and economics. Most require nuclear fuel with U-235 enrichment between 5% and 20%, which is defined as HALEU. Although technically feasible, there is no current domestic capability to make HALEU in the US. While it is anticipated that industry will provide HALEU through commercial enrichment once advanced reactors mature, until a market is established, an interim source of HALEU is needed to enable research and demonstration. An interim source of HALEU could be provided by recovering the HEU in some DOE-managed SNF and downblending it to between 5% and 20% using the Hybrid ZIRCEX Process. ZIRCEX is a dry head-end process to remove cladding (zirconium or aluminum) from SNF. Drying of the SNF is needed prior to introduction to ZIRCEX. After cladding removal, uranium and fission products in the bed material are oxidized and elutriated. In a Hybrid ZIRCEX process, the HEU process stream is sent to a very compact, modular solvent extraction process for uranium purification. The uranyl nitrate from solvent extraction is denitrated and calcined to produce a HALEU product ready for fuel fabrication. The long-lived fission products from solvent extraction are immobilized in glass using a small in-can melt. By removing the cladding before dissolution, the volume of glass waste is reduced by a factor of up to 300 times (when compared to not removing the cladding from the fuel). Other radioactive wastes from the process could be disposed of as Class A or Class B low-level waste. In addition to producing HALEU for advanced reactors, consumption of SNF would reduce DoE's environmental liability. Incorporating low-enriched spent fuel (versus exclusive use of LEU, DU, or NU) into the downblending scheme could reduce the SNF inventory even further. Several downblending and enrichment scenarios using INL fuels were investigated in this study. The results of this analysis show that the Hybrid ZIRCEX process could make a significant contribution to needed HALEU feedstock and reduce the environmental liability of managing SNF at INL. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Solvent Recovery and Management at the Savannah River Site H-Canyon Facility

NIOWAVE, Inc. is a domestic supplier of medical and industrial isotopes from uranium and radium. The Savannah River National laboratory (SRNL) is currently providing support to NIOWAVE, which plans to deploy a superconducting electron linear accelerator (LINAC) to fission uranium for Mo-99 production without the need for a nuclear reactor or HEU. The uranium from the Mo-99 production targets will be purified using a modified PUREX (Plutonium Uranium Reduction Extraction) solvent extraction process to recover the uranium in the product stream. The uranium will then be precipitated as an oxalate which is calcined to U 3 O 8 to fabricate pellets for new Mo-99 targets. In previous support provided to NIOWAVE, the SRNL demonstrated a solvent washing process to remove degradation products from the tributyl phosphate (TBP) solvent used in the modified PUREX process under development for uranium recovery. To supplement this technology demonstration, NIOWAVE requested the SRNL to provide summary information on the solvent recovery and management activities which are used at the Savannah River Site (SRS) H-Canyon facility. An existing reference document for the reprocessing of irradiated HEU fuels at the SRS was used as the primary reference for the solvent management activities; although, other reference documents were used to provide supplementary information. The information provided includes a brief summary of the solvent degradation issues which have been observed in the H-Canyon solvent extraction cycles and resulting process safety concerns. The solvent recovery processes for the three cycles of solvent extraction used in the H-Canyon were subsequently described including the process equipment which consists of the continuous and batch solvent washers, pumps, and tanks. A final section is provided on the monitoring and analysis of solvent quality based on the previous work performed at the SRNL for NIOWAVE and past research and development activities performed to support the solvent extraction processes in both the SRS F-Canyon and H-Canyon facilities.

07 ISOTOPE AND RADIATION SOURCES↗

Functionalized Dipicolinic Acid Derivatives as TALSPEAK-MME Stripping Agents

This work describes the examination of two derivatives of dipicolinic acid as the stripping reagents in the combined HEH[EHP], Cyanex-923 system TALSPEAK-MME. The investigation focused on the behavior of the lanthanides, Am, and the transition metals Zr, Mo, Pd, Ru and Rh in the extraction, solvent conditioning, and stripping steps. Solvent conditioning with glycine buffer solutions was shown to be effective for the removal of entrained HNO3¬ as well as managing Pd concentration prior to stripping. The stripping kinetics revealed very rapid phase transfer reactions. The DPA derivatives were shown to have comparable performance to traditional polyaminopolycarboxylate ligands in this system.

TALSPEAK Process, Dipicolinic acid, TALSPEAK-MME, ↗

Next Generation Solvent Vapor Pressure Testing

Previous work by Savannah River National Laboratory (SRNL) indicated that the actual Next Generation Solvent vapor pressure would be higher than the Original Caustic Side Solvent Extraction (CSSX) solvent vapor pressure, but below a bounding vapor pressure using Raoult’s Law. Since solvent vapor pressure has a significant impact on Composite Lower Flammability Limits (CLFL) and attendant accident analyses, obtaining an additional margin from the bounding NGS vapor pressure would be valuable. In order to quantify how much margin might be gained from the NGS bounding solvent, SRNL researchers were requested to perform vapor pressure testing with the Next Generation Solvent (NGS) by Savannah River Mission Completion (SRMC). The vapor pressure curve for the NGS formulation set to be deployed at the Salt Waste Processing Facility (SWPF) has been determined by SRNL up to 55°C (131°F) using headspace Gas Chromatography (GC). It was expected that NGS would have a higher vapor pressure than the Original CSSX solvent; however, experimental results indicate a lower vapor pressure. At this time, it is uncertain if this difference is due to the 7x increase in concentration of the large calixarene in the solvent (0.007M BOBCalix in Original CSSX solvent vs. 0.05M MaxCalix in NGS) or to minor batch-to-batch variations in Isopar-L constituents. The NGS and the Original CSSX solvent vapor pressure data were fitted to the Antoine Equation. The Antoine equation gives a more accurate representation of the expected vapor pressure of the solvents outside of the temperature range tested. The Antoine equation fitting for NGS is given below: $P=10^{6.364⁻\frac{1788.4}{T+219.3}}$. Where, p is the vapor pressure (partial pressure) of NGS in mmHg and T is the temperature in °C. It is recommended that SRMC either continue using the more conservative Isopar-L vapor pressure calculations at SWPF with the equation developed for the Original CSSX solvent, or the equation presented above for the NGS solvent. Additionally, it is recommended to study the variability in Isopar-L vapor pressure between lots.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Comparison of Industrialized Late 20th Century Flowsheets for Reprocessing Used Nuclear Fuel

This study identified and compared three flowsheets for reprocessing used nuclear fuel (UNF) industrialized in plants in the United Kingdom (the Thermal Oxide Reprocessing Plant), France (UP2-800/UP3) and Japan (the Rokkasho Reprocessing Plant). The study also identified the major implications for a plant in the United States if it were initiated. All flowsheets employed the established Plutonium Uranium Reduction Extraction (PUREX) solvent extraction technology to separate uranium and plutonium from UNF dissolved in nitric acid. However, differences in the approaches to managing iodine-129, tritium and technetium were identified in the flowsheets. A US plant would also need to separate krypton-85 as well as iodine-129 and tritium for immobilization and disposal.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

CoDCon Project (Final Report)

The co-decontamination (CoDCon) project was established in FY 2016 with the objectives of (a) evaluating the uncertainty in the uranium (U)/plutonium (Pu) ratio in a mixed U/Pu product from a tributyl phosphate (TBP)–based solvent extraction flowsheet, and (b) developing and demonstrating on-line optical spectroscopy for real-time monitoring of key components (e.g., Pu, U, and HNO 3 concentrations) in the process solutions. We were interested in assessing the accuracy and precision to which a specific uranium-to-plutonium (U/Pu) ratio can be achieved, which for the purposes of this project was set at a U/Pu mass ratio of 7/3. The uncertainty associated with achieving this specific target U/Pu ratio was investigated during five flowsheet tests using laboratory-scale solvent extraction equipment. In addition, optical spectroscopic techniques were incorporated into the CoDCon solvent extraction testing system, allowing real time monitoring of all input and output process streams. Two CoDCon flowsheet tests were performed in FY 2018 using a simple dissolved fuel simulant containing only U (~1 M) and Pu (~15 mM) in nitric acid (HNO 3 ; ~3 M). In FY 2019, two additional flowsheet tests were performed. For the first of these (CoDCon Run 3), the dissolved fuel simulant was similar to that used in the first two tests, with the inclusion of 1 mM neptunium (Np). The second test conducted in FY 2019 (CoDCon Run 4) used a more representative dissolved fuel simulant, including addition of non-radioactive fission product elements. A fifth CoDCon flowsheet test (CoDCon Run 5) was conducted in FY 2020, with the following additional objectives: (1) routing of the technetium (Tc) in the simulated dissolved fuel solution to the solvent extraction raffinate, and (2) routing of the Np in the simulated dissolved fuel solution to the U/Pu product. All tests used a bank of sixteen 2 cm centrifugal contactors. The tests involved first loading the solvent (30 vol% TBP dissolved in n-dodecane) with U and Pu (and Np, for Run 5), then the Pu (and Np) was stripped from the loaded solvent with a U(IV) solution (~50 mM) and the flowsheet conditions were adjusted such that some U partitioned into the Pu-containing product stream. The amount of U accompanying the Pu was monitored in real time using optical spectroscopic techniques coupled with chemometric modeling. Based on the real-time spectroscopic measurement of the U/Pu ratio, adjustments were made to the flowrate of the fresh TBP solvent phase used to scrub U from the aqueous Pu-containing product. This proved to be a very effective way to control the U/Pu mass ratio in the product. This report presents the results of the CoDCon Run 5 test. The flowsheet tested in Run 5 was substantially different than that run in the prior tests, especially the solvent loading section of the flowsheet. Two key changes were made. First, based on the objective to extract all the Np and route it with the U/Pu product, pentavalent vanadium [V(V)] was added to the feed and scrub solutions. The purpose of the V(V) was to convert all the Np to the +6 oxidation state, which is extractable by TBP. Second, a high acid (8 M HNO 3 ) scrub was added to the flowsheet to scrub the Tc from the solvent. This was followed by a low acid scrub (0.05 M HNO 3 ) to reduce the residual HNO 3 concentration in the solvent prior to the Pu stripping step. The output from the low acid scrub was collected separately, rather than routing towards the raffinate. The modifications to the solvent loading part of the flowsheet were only partially successful. The treatment with V(V) was effective at converting the Np to Np(VI). Only 1.3% of the Np remained in the raffinate solution. However, ~40% of the Np stripped out of the solvent in the low acid scrub step; nearly 20% of the Pu also was stripped from the solvent during the low acid scrub. For further development, either modifications to the flowsheet, or concentration and recycle of the low acid stream into the

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Solvent effects on extractant conformational energetics in liquid–liquid extraction: a simulation study of molecular solvents and ionic liquids

Extractant design in liquid–liquid extraction (LLE) is a research frontier of metal ion separations that typically focuses on the direct extractant–metal interactions. However, a more detailed understanding of energetic drivers of separations beyond primary metal coordination is often lacking, including the role of solvent in the extractant phase. In this work, we propose a new mechanism for enhancing metal-complexant energetics with nanostructured solvents. Using molecular dynamics simulations with umbrella sampling, we find that the organic solvent can reshape the energetics of the extractant's intramolecular conformational landscape. Here, we calculate free energy profiles of different conformations of a representative bidentate extractant, n-octyl(phenyl)-N,N-diisobutyl carbamoyl methyl phosphinoxide (CMPO), in four different solvents: dodecane, tributyl phosphate (TBP), and dry and wet ionic liquid (IL) 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][Tf 2 N]). By promoting reorganization of the extractant molecule into its binding conformation, our findings reveal how particular solvents can ameliorate this unfavorable step of the metal separation process. In particular, the charge alternating nanodomains formed in ILs substantially reduce the free energy penalty associated with extractant reorganization. Importantly, using alchemical free energy calculations, we find that this stabilization persists even when we explicitly include the extracted cation. These findings provide insight into the energetic drivers of metal ion separations and potentially suggest a new approach to designing effective separations using a molecular-level understanding of solvent effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Influence of metal ion complexation on the radiolytic longevity of butyramide extractants under direct dissolution conditions

The direct dissolution of volox-treated used nuclear fuel (UNF) into an organic solution—comprised of diluent and specialized extractants—poses a promising alternative to the traditional liquid-liquid solvent extraction approach to reprocessing UNF. However, moving to direct dissolution removes the presence of a concentrated nitric acid aqueous phase, which has been shown to significantly influence the radiolytic longevity of extractants in liquid-liquid solvent extraction flowsheets. With this in mind, and given the limited knowledge of radiation effects under direct dissolution conditions, we present a time-resolved and dose accumulation study on the impact of direct dissolution conditions on the radiolytic longevity of two candidate butyramide extractants—N,N-di-(2-ethylhexyl) butyramide (DEHBA) and N,N-di-(2-ethylhexyl)isobutyramide (DEHiBA)—in pre-equilibrated n-dodecane solvent in the presence and absence of process relevant metal ions, uranium and rhenium. Rhenium, and by extension technetium, extraction had little impact (=10%) on the overall radiolytic stability of these ligands, despite observed increases in chemical kinetic reactivity (>2×) of the corresponding complexes with the n-dodecane radical cation. Uranium-loading on the other hand, significantly improved the lifetime of both ligands (>30%) under gamma irradiation, with a greater stabilization observed for DEHBA over DEHiBA. This draft manuscript has been prepared in fulfillment of NTRD-MRWFD-2024 M3FT-24IN030101115.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Disulfonamide Ligands as f-Element Extractants from Alkaline High-Level Waste

Almost 100 million gallons of high level waste (HLW) has been generated from defense reprocessing programs to support nuclear weapons production. HLW is currently stored at the Hanford and Savannah River Sites (SRS) [1]. It contains radioactive components, such as {sup 137}Cs, {sup 99}Tc and {sup 90}Sr, as well as large amounts of non-radioactive species, including solvated cations and insoluble metal hydroxides. HLW has high concentration of soluble hydroxides ([OH{sup -}] = 2 M at SRS [2]), complexing inorganic anions ([NO{sub 3}{sup -}] ∼ 0.65 - 3.7 M at SRS [2]) and a high ionic strength. Even though the majority of actinide component in alkaline HLW is precipitated, studies of An(III) and Ln(III) complexation in highly alkaline solutions in the presence of high nitrate concentrations have showed that soluble nitrate complexes can be formed [3]. The current treatment of HLW at SRS currently consists of two processes: The Actinide Removal Process (ARP) and the Next-Generation Caustic-Side Solvent Extraction process (NG-CSSX). Strontium and actinides are removed by sorption on monosodium titanate through the Actinide Removal Process (ARP) commonly referred to as the alpha-strike step [4]. Then, cesium is selectively extracted from the alkaline media via the Caustic-Side Solvent Extraction (CSSX) process [5]. The CSSX solvent consists of a calix[4]arene-crown-6 extractant dissolved in an inert hydrocarbon matrix containing i) a solvent modifier (alkylphenoxy alcohol) which increases extractant solubility and prevents third phase formation, and ii) a suppressor (trioctylamine or guanidine) - that mitigates surfactant effects. The CSSX process removes {sup 137}Cs selectively and rapidly, yet the post- CSSX aqueous stream may still contain high amounts of An, thus requiring a second ARP treatment (referred to as 'alpha-finishing') for some tanks. Despite the success of the ARP process in removing Sr and An, it often represents the kinetic bottleneck of integrated processing, as it is slower than solvent extraction. Understanding the complexation of actinides by organic ligands that are compatible with the CSSX process could eventually lead to a combined caustic-side Cs/Sr/actinide extraction process with better economics due to a reduced amount of monosodium titanate and/or a shorter required contact time with titanate during ARP. This would ensure a low-activity waste (LAW) stream with no actinides without additional ARP processing post-CSSX. Disulfonamides were studied for extraction of Sm(III) from alkaline aqueous media of pH 10-14 into dichloromethane. Up to 82% of Sm(III) was extracted from solutions of pH 12.5 -13.5 and up to 84% from solutions of pH 10.5 - 11.5. These results show some resemblance with Am extraction results by calixarene ligands previously reported [10]. Kinetic studies demonstrated that even 5 min is enough to complete stripping, whereas extraction is time-limiting process and requires up to 20 h for efficient removal of Sm(III) from alkaline aqueous media. Determination of composition of complexes in solution after extraction by the equilibrium shift method showed a 1:1 Sm(III):dsa-2 complexation ratio for the extracted species.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Novel Diglycolamide Extractant?s Performance in Liquid-Liquid Separations for Pilot Scale Application

Modified diglycolamide (DGA) extractants show high affinity for light lanthanides and improved separation factors compared to phosphonic acids used commercially. Previous studies with DGAs included flowsheet design and implementation into solvent extraction equipment but with low extractant concentration. Modifications on the alkyl chains of previous DGA extractants led to a competitive product for light rare earth separation with a higher extractant concentration. The scope of this project is to test a recently developed DGA extractant for application in pilot scale solvent extraction equipment with single stage testing, by narrowing down scrubbing conditions, and collecting distribution values for flowsheet planning.

42 ENGINEERING↗

Influence of Metal Ion Complexation on the Radiolytic Longevity of Butyramide Extractants under Direct Dissolution Process Conditions

The direct dissolution of voloxidized used nuclear fuel (UNF) into an organic solution–comprised of diluent and specialized extractants–poses a promising alternative to the traditional liquid–liquid solvent extraction approach to reprocessing UNF. However, moving to direct dissolution removes the presence of a concentrated nitric acid aqueous phase, which has been shown to significantly influence the radiolytic longevity of extractants in conventional extraction flowsheets. Given the limited knowledge of radiation effects under direct dissolution conditions, here we present a time-resolved and dose-accumulation study on the impact of direct dissolution conditions on the radiolytic longevity of two candidate butyramide extractants, N,N-di(2-ethylhexyl) butyramide (DEHBA) and N,N-di(2-ethylhexyl)isobutyramide (DEHiBA), in pre-equilibrated n-dodecane solvent in the presence and absence of process-relevant metal ions, specifically, uranium and rhenium. Loss G(DEHBA) and G(DEHiBA) values were found to be comparable to each other, with an average of 0.37 ± 0.02 μmol J –1 , and to previous data from the γ irradiation of DEHBA and DEHiBA under conventional solvent extraction conditions. Rhenium, and by extension technetium, extraction had a modest decrease (~10%) in the overall radiolytic stability of DEHiBA only, despite >2× observed increases in chemical kinetic reactivity of the corresponding complexes with the n-dodecane radical cation. Uranium loading, on the other hand, significantly improved the lifetime of both ligands (>30%) under γ irradiation, with a greater stabilization observed for DEHBA over DEHiBA. The observed radioprotective effect afforded by uranium loading is fortuitous for the longevity of direct dissolution solvent.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Elucidating the Interfacial Barriers in Lanthanide Back-Extraction: From Water to Oil and Back Again

Recovery of critical rare earth elements from complex mixtures has long been realized via solvent extraction, where ions in an aqueous phase are separated into an organic phase using amphiphilic ligands. While a great deal of effort has been placed on understanding this forward reaction, substantial knowledge gaps in the back-extraction process remain. This includes the mechanism of interfacial dissociation and transport back into a highly acidic aqueous phase for further processing. In this work, we connect back-extraction kinetics made in realistic solvent extraction systems to salient interfacial chemistry and structure that represent bottlenecks in the back-extraction of lanthanide ions. We show that the interface between the two liquid phases varies dramatically based on the composition of both phases. Water stretching signals are shown to report on the population of lingering interfacial complexes and are thus used as a reporter of competitive adsorption from excess free ligands in solution for limited interfacial vacancies. We show that excess free ligands, often used to improve forward extractions, set up interfacial blockades inhibiting back-extraction both kinetically and thermodynamically. In conclusion, this insight opens up avenues to tune interfacial properties to facilitate a more dynamic, exchangeable interface to speed up back-extractions while using less energy intensive chemical swings.

Interfaces↗

Pilot-Scale Testing of an Integrated Circuit for the Extraction of Rare Earth Minerals and Elements from Coal and Coal Byproducts Using Advanced Separation Technologies

The primary objective of this project was to develop and demonstrate an integrated pilot-scale circuitry for recovering high-value rare earth elements (REEs) from coal and coal byproducts. The target performance was to produce a mixed REE product with content of at least two percent by weight on a dry mass basis in a cost-effective and environmentally benign manner. During the first nine months of the project period (Phase 2 Budget Period 2), pilot plant construction was completed including all field site startup activities such as permitting, engineering design, procurement/bidding, unit fabrication, site construction, equipment installation, module assembly, safety training, and circuit shakedown. During the remaining 21 months of project period (Phase 2 Budget Period 3), detailed field-testing activities were performed including feedstock sample collection and preparation, exploratory testing, circuit modification, detailed parametric study, and performance optimization. A detailed techno-economic analysis was performed based on the pilot plant testing findings which provided various scenarios for REE production. The project successfully accomplished the proposed target performance by producing mixed rare earth oxide (REO) with greater than 90% purity by weight in a continuous pilot scale operation from two distinctly different coarse refuse materials (i.e., West Kentucky No. 13 and Fire Clay coal seams), and at least three secondary sources (i.e., heap leach process and naturally formed acid mine drainage system). Project partners included the University of Kentucky, Virginia Tech, West Virginia University, Alliance Coal, Blackhawk Mining, Mineral Refining Company, and Mineral Separation Technologies. The pilot scale test facility was constructed at a former mining complex owned by Alliance Natural Resource Partners (Alliance Coal). The site was rehabilitated to accommodate the equipment installation, construction and fabrication, electrical power requirement, water line management and containment. The process units constructed and installed included X-ray sorting unit, crushing and grinding unit, physical separation unit, acid leaching unit, solvent extraction unit, and wastewater management unit. A rare earth mineral concentration unit was constructed as a standalone unit for flexible operation. A detailed environmental assessment and control plan was carried out to identify and quantify any potential impacts of the pilot-scale processing circuitry on the human and eco-system health and well-being. Corresponding mitigation strategies and control measures were provided. A conceptual flowsheet was developed to effectively remove thorium and uranium from high purity rare earth oxide mix or any potential radionuclide enriched stream. The two distinct feedstock materials were secured from the Blackhawk Mining Complex in eastern Kentucky where the Fire Clay (Hazard No. 4) seam is processed. The West Kentucky No. 13 (Baker) coarse refuse material was collected from an active process stream at an Alliance coal preparation plant located in western Kentucky. Characterization analysis indicated that both of feed materials generated from the two sources contained >300 ppm of TREEs on a dry whole mass basis which met the requirements for a qualified feed stock. The two feedstocks were further upgraded using a dual x-ray sorter to prepare the feed material for hydrometallurgical circuit. Thermal treatment on feed material prior to leaching was found to: 1) improve the leaching recovery of REEs, 2) increase the leaching kinetics, and 3) allow the leaching reaction to occur at lower acidity. Roasting at 600°C was selected as the pre-treatment condition for both West Kentucky No. 13 and Fire Clay coarse refuse material. Over 40% of leaching recovery was achieved by roasting West Kentucky No. 13 material having a top particle size of 3 mm in the pilot scale operation using 1.2M sulfuric acid leaching at 75OC. Initial pilot scale testing involved continuous operation of the pilot plant for 94 hours. The leaching unit was operated at solid-to-liquid ratio of 1 to 10 (w/v) using 0.5M sulfuric acid solution at a temperature of 75°C. The continuous solvent extraction circuit utilized rougher and cleaner units with DEHPA and TBP as the extractants. An innovative stripping circuit was developed to accumulate the REE concentration in the stripping solution to a level above 600 ppm. A bleed stream from the recycled strip solution was treated using oxalic acid precipitation which produced a high grade rare earth oxalate. The oxalate product was roasted to remove the oxalate which produced a rare earth oxide product having a purity greater 90%. Due to high concentrations of contaminant ions in the pregnant leach solution (PLS), a modified flowsheet was developed that involved pre-concentration of the REEs using multiple stages of precipitation and redissolution. The advantage of this process was improved removal of contamination before the downstream purification process and a significant cost reduction relative to the circuit that utilized the solvent extraction process. The modified circuitry included processes involving leaching, multistage precipitation, redissolution, and oxalate precipitation followed by roasting of the oxalate product. The circuit produced a mixed REO that was 92.96% pure from the initial test. A detailed parametric test plan was carried out which involved varying key parameters including solids feed rate, acid flowrate, acid concentration, multistage precipitation pH, redissolution pH, oxalate precipitation dosage and pH. The response variables included REE recovery, contaminant recovery, REO product grade and overall chemical consumption. Test results indicated that the acid-to-solid ratio is the key parameter to leaching efficiency as performance deteriorated with an increase in solids concentration. The optimal pH determined for REE precipitation and redissolution was 6.5 and 2.5, respectively. Additional tests were conducted to further improve the flowsheet. Recirculating a portion of the PLS to the feed of the leach tanks improved the leaching performance by lowering the pH of the leaching system and reducing the contamination recovery by shortening the residence time. Moreover, the removal of Al prior to REE precipitation significantly reduced the oxalic acid consumption in the oxalate precipitation circuit. The modified circuit produced over 90% grade REO by weight from both West Kentucky No. 13 and Fire Clay coarse refuse material in pilot scale continuous test programs. A case analysis model was developed to project the REE and major contaminants concentration in each PLS stream based on the leaching condition, pH cut point, and oxalic acid dosage. A correlation was established using empirical and semi-empirical models. Using the models, chemical consumption required for each stage was predicted based on the projected performance of the hydrometallurgy circuit. After identifying the optimum conditions, validation tests were carried out for the treatment of both West Kentucky No. 13 and Fire Clay coarse refuse materials in the pilot plant. The actual circuit performance and chemical consumptions were very close to the model predictions. Other than the two coarse refuse sources, several secondary feedstocks were also tested in the pilot plant facility. A “heap leach” system was constructed using the coarse refuse material generated from cleaning the West Kentucky No. 13 seam coal. Using the two stage SX rougher and cleaner circuit, a concentrate with a grade >90% REO was produced while recovering >97% of the REEs from the heap leach PLS. Naturally generated acid mine drainage (AMD) from West Kentucky No.13 mine was processed using the multistage precipitation circuit in the pilot plant in a test conducted for a period of 32 hours. The final grade of the mix RE oxide produced from the AMD was 90.84% with an overall circuit recovery of 64%. The primary source of REE was the selective precipitation steps involving iron and aluminum rejection. The hydrophobic-hydrophilic separation (HHS) process was proven to effectively recover coal from fine waste materials. For REM recovery, the HHS process was able to produce concentrates at grades of approximately 1.8% REE on an ash basis; however, recovery values were typically low, <10%, under the optimal conditions determined in the laboratory-scale testing. Staged testing of the pilot-scale HHS process for coal recovery and semi-continuous laboratory testing for REM testing showed that a total concentration ratio of more than 15x was observed for the REM recovery process. A circuit simulation package was developed for REE extraction and purification using a spreadsheet-based platform (Microsoft Excel). The REESim circuit simulation package is configured to track the mass and volume flows of components passing through a series of unit operations specified and configured by the user. The mass rates can then be utilized by the user to determine important performance indicators such as product mass yields, concentrate purity levels, element-by-element recoveries, and so forth. The techno-economic analysis showed that the roasting and leaching operations were the most expensive capital items, each contributing approximately 30% to the total capital cost. One notable contributor to the high production costs was the low REE recovery observed in the pilot scale trials. The product basket price was shown to have a strong influence on the economic viability of the scenarios, with the scandium price being the most significant influencer. Operating cost was shown to be extremely sensitive to REE recovery, REE feed grade, and leaching acid consumption. An analysis of ten different scenarios for a 500 t/h commercial operation revealed that three were economically favorable, producing internal rates of return varying from 27.7% to 33.1% and payback periods of 4 to 5 years. The project successfully developed and demonstrated a process to recover REEs from coal and coal byproducts in a pilot-plant operation which consistently produced over 90% grade REO mix from varies types of feedstocks. Commercialization analysis showed that the technology readiness level successfully achieved TRL 6 at the end of the project and demonstrated the need and the potential for scaling the process to further advance the technologies toward the goal of providing a domestic supply of REEs at a commercial scale.

01 COAL, LIGNITE, AND PEAT↗

DEHP− extractant binding to trivalent lanthanide Er3+: Fast binding accompanied by concerted angular motions of hydration water

Solvent extraction of trivalent rare earth metal ions by organophosphorus extractants proceeds via binding of phosphoric acid headgroups to the metal ion. Water molecules in the tightly bound first hydration shell of the metal ions must be displaced by oxygen atoms from phosphoric acid headgroups. Here, we use classical molecular dynamics simulations to explore the event in which a fully hydrated Er3+ binds to its first phosphoric acid headgroup. Approach of the headgroup into the region between the first and second hydration shells leads to a fast ejection of a water molecule that is accompanied by reordering of the hydration water molecules, including discretization of their angular positions and collective rotation about the metal ion. The water molecule ejected from the first shell is located diametrically opposite from the binding oxygen. Headgroup binding places a headgroup oxygen closer to Er3+ than its first hydration shell and creates a loosely bound water that subsequently exchanges between the first shell and its environment. This second exchange of water also occurs at discrete angular positions. This geometrical aspect of binding may be of relevance to understanding the binding and transport of ion–extractant complexes that are expected to occur at the organic–aqueous liquid–liquid interface used in solvent extraction processes.

Chemistry↗

Valorization of mullet roe by‐products for the production of polyunsaturated fatty acids rich oils

Abstract This work examines the potential valorization of mullet roe by‐products for the production of mullet roe oil using mild processes. Three different extraction methods with potential of scale‐up for the food industry, namely pressure (PE), supercritical fluid extraction (SFE), and solvent extraction (SE) are examined. Mild temperature conditions to prevent oil oxidation and (wherever applicable) food‐grade solvents are used. The oil yield, the composition of oils in fatty acids by GC‐FID, the level of oil oxidation (peroxide value (PV), p‐anisidine value (AV), K 232 K 268 , TOTOX)) and the antioxidant activity (DPPH, ABTS) are determined. SE provided the highest oil recovery, followed by SFE and PE (68%, 28% and 10% respectively). The extracted oils had a high concentration of EPA and DHA and a total of 20.7%–24.3% of identified PUFAs among the fatty acids. Oxidation was the lowest in the SFE extracted oil followed by PE, PV was <2.5 meq O2 , AV≤10 and TOTOX <15 in all examined oil samples. Further research is needed to optimize processing conditions for the increase in oil recovery.

Kalogianni, Eleni P.↗

Extraction of lithium from battery recycling wastewater using synergistic D2EHPA and TBP

The recycling of spent lithium-ion batteries (LIBs) poses significant challenges, including the generation of large volumes of chemically complex wastewater. The composition of this wastewater is influenced by both the intrinsic chemistry of the batteries and the specific recycling processes employed. Notably, this wastewater contains economically valuable components, such as lithium, which can be recovered. Here, in this study, a solvent extraction (SX) process was investigated as a method to recover lithium from battery recycling wastewater, especially from anode-washing stage. Initially, various commercial extractants were evaluated, including di(2-ethylhexyl)phosphoric acid (D2EHPA), mono-2-ethylhexyl (2-ethylhexyl)phosphonate (PC88A), bis(2,4,4-trimethylpentyl)phosphinic acid (Cyanex 272), 2-hydroxy-5-nonylacetophenone oxime (LIX 84-I), tri-butyl phosphate (TBP), and their combinations. Among these, D2EHPA + TBP demonstrated a synergism to advance and maximize the lithium extraction. Subsequently, the effects of key parameters, including D2EHPA concentration, TBP concentration, contact time, initial pH, and aqueous-to-organic (A/O) phase ratio, were systematically investigated and optimized. A two-stage SX approach was employed to enhance lithium recovery. Under the optimized conditions of 30.0 vol% D2EHPA, 10.0 vol% TBP, 10 min of contact time, and a 1:1 A/O phase ratio, a lithium extraction efficiency of more than 88% in a two-stage solvent extraction was achieved. Lithium was subsequently stripped from the loaded organic solution using sulfuric acid (H 2 SO 4 ). Using 2.0 M H 2 SO 4 , lithium stripping was achieved after two counter-current stripping stages at an organic-to-aqueous (O/A) phase ratio of 6:1. This stripping process enriched the lithium concentration by a factor of four compared to the original lithium concentration in the anode-washing wastewater. The recyclability of the synergistic D2EHPA + TBP system was also evaluated over four extraction-stripping cycles. The results demonstrated that the system maintained high extraction and stripping efficiencies.

D2EHPA↗

Economic Extraction, Recovery and Upgrading of Rare Earth Elements from Coal-Based Resources

The overall objective of this project is to produce a rare earth elements product with greater than 8% rare earth elements from coal-based resources using an economically viable and environmentally benign processing methodology. The objective of the coal processing work will be to acquire appropriate coal feed and produce a viable clean coal product, a concentrated REE feed stream, and a pyrite stream (where available) that can be used to enhance leaching. The objective of the bio-oxidation portion of the project is to utilize bacteria to oxidize sulfide minerals and ferrous ions to ferric ions to accelerate leaching and remove the sulfides to prevent future acid mine drainage and related liabilities. The objective of the solution conditioning work is to remove iron and control leaching solution conditions to facilitate extraction of REEs without significant thorium extraction. The objective of the column leaching work is to engineer/model and simulate heap leaching to demonstrate low-cost extraction of REEs from coal-based resources. The objective of the solvent extraction work is to selectively extract and recover through controlled stripping of REEs that are solubilized through leaching. The objective of the precipitation portion of the project is to recover the REEs from the solvent extraction stripping solutions and dry them to achieve the final product of rare earth elements that is > 8 % REEs. The objective of the technical, economic, and environmental analysis is to determine the overall viability of the processing approach that is demonstrated in this project. This project encompasses a range of technologies that are currently in industrial practice that are applied and engineered to produce rare earth element product from coal feed sources. The potential sources include large coal feed resources in active coal mines in addition to coal waste. This technology involves the utilization of advanced coal processing technology that can be used to deliver clean coal for the market as well as rare-earth-element-bearing non-coal rock that is of the correct size for heap leaching applications in addition to providing concentrated sulfide minerals (for mid to high sulfur coals) for cleaner coal and for enhanced bio-oxidation to accelerate leaching of REEs from the non-coal rock. The removal of the sulfide minerals cleans the coal, accelerates subsequent REEs extraction, and it removes the future potential for most acid-rock drainage. (For low sulfur coals some pyrite may be purchased if needed.) The processing method also utilizes bio-oxidation to enhance ferric ion production to enhance leaching, while also consuming the sulfide mineral and its associated environmental liability. The project includes a technical, economic, and environmental analysis to facilitate an appropriate assessment of commercial viability for this processing technology.

01 COAL, LIGNITE, AND PEAT↗

Economic Extraction, Recovery and Upgrading of Rare Earth Elements from Coal-Based Resources (Final Report)

The overall objective of this project is to produce a rare earth elements product with greater than 8% rare earth elements from coal-based resources using an economically viable and environmentally benign processing methodology. The objective of the coal processing work will be to acquire appropriate coal feed and produce a viable clean coal product, a concentrated REE feed stream, and a pyrite stream (where available) that can be used to enhance leaching. The objective of the bio-oxidation portion of the project is to utilize bacteria to oxidize sulfide minerals and ferrous ions to ferric ions to accelerate leaching and remove the sulfides to prevent future acid mine drainage and related liabilities. The objective of the solution conditioning work is to remove iron and control leaching solution conditions to facilitate extraction of REEs without significant thorium extraction. The objective of the column leaching work is to engineer/model and simulate heap leaching to demonstrate low-cost extraction of REEs from coal-based resources. The objective of the solvent extraction work is to selectively extract and recover through controlled stripping of REEs that are solubilized through leaching. The objective of the precipitation portion of the project is to recover the REEs from the solvent extraction stripping solutions and dry them to achieve the final product of rare earth elements that is > 8 % REEs. The objective of the technical, economic, and environmental analysis is to determine the overall viability of the processing approach that is demonstrated in this project

01 COAL, LIGNITE, AND PEAT↗