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DOE OSTI2020

Computationally efficient optimization models for preliminary distillation column design and separation energy targeting

We propose versatile shortcut distillation column and separation energy targeting models that are well-suited for superstructure-based process synthesis. The models are based on a novel reformulation of the Underwood equations to address systems where the components that are present in the feed can vary due to zero flow rates of some components. Also, we propose valid constraints, resulting in a significant enhancement of the computational performance of the models. Furthermore, the proposed distillation column model can automatically identify adequate key components and the energy requirement of a desired separation task, while considering a wide range of types of separations including non-sharp/sloppy splits. Also, the proposed separation energy targeting model can be used to estimate an energy requirement target for the separation of a mixture without finding detail network configurations. Due to their versatility and computational efficiency, the proposed models can be readily used for and expand the scope of superstructure-based process synthesis approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Separation of cobalt, nickel, and manganese in leach solutions of waste lithium-ion batteries using Dowex M4195 ion exchange resin

Current methods to separate and recover critical metals from waste lithium-ion battery (LIB) scrap require multiple unit operations that involve selective leaching and a combination of separation methods. These methods include impurity removal, solvent extraction, ion exchange, and precipitation, to achieve high purity Co and Ni products. In this paper an efficient extraction strategy was developed to individually separate Ni and Co from a LIB leachate that was generated from an electrochemical leaching process. By using Dowex M4195 resin, as the only method of separation, additional impurity removal operations were not needed. After loading and eluting, three different fractions were obtained: 99.0% Ni concentrate, 98.5% Co concentrate, and a Li/Mn rich concentrate allowing the separation of Ni, Co and Mn. Here, the developed process is then presented as an alternative for metal recovery from leachates from scrap LIBs with minimum chemical addition and pH adjustment.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Efficient SF 6 /N 2 separation at high pressures using a zirconium-based mesoporous metal–organic framework

Adsorptive separation of SF 6 /N 2 mixtures is an important issue since SF 6 is a significant greenhouse gas. Although separation performances should be evaluated under high pressure conditions to find an efficient adsorbent candidate for pressure swing adsorption (PSA) processes, no studies on metal–organic frameworks (MOFs) have focused on SF 6 /N 2 separation at high pressures above 1 bar. In this study, we evaluated the potential of three hydrothermally stable adsorbents, including two MOFs (UiO-66 and UiO-67) and zeolite-13X, for SF 6 /N 2 separation under normal PSA operation pressures (~10 bar). Interestingly, UiO-67 with a high surface area and large pore size exhibited very high SF6/N2 selectivity (30~37) at 10 bar as well as a significantly large SF6 working capacity (5.94 mmol g-1) between 10 bar and 1 bar. Moreover, UiO-67 showed facile regeneration at the ambient temperature as well as good cyclic adsorption and desorption behavior during 20 cycles. These results show that UiO-67 is a potential adsorbent for adsorptive SF 6 /N 2 separation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Separation of volatile organic contaminants from water using a direct-contact dehumidifier: An experimental study and modeling

A packed-bed, direct-contact dehumidifier (PB-DCD) has been developed to selectively condense water from a gaseous mixture of organic contaminants. In this process, hot air is humidified by mixing with wastewater vapor in a static mixer and is dehumidified by subcooled fresh water passing through the PB-DCD in a counter-current configuration. The goal of this study is to understand the relationship between various operating parameters and how they affect separation of isopropyl alcohol (IPA) from the gaseous mixture with the purpose of expanding the investigation to other contaminants in the future. The process has been successfully used to separate IPA from wastewater. Different parameters including the concentration of IPA in water, feed temperature, air-to-vapor ratio, and cooling-water-to-vapor mass ratio, as well as residence time were examined to determine their influence on contaminant separation and clean water recovery rate. The Buckingham Pi theorem was applied to reduce the number of studying variables by generating non-dimensional groups. Experiments were performed to determine the relationship between the non-dimensional parameters and model mass transfer in the system. Mass transfer coefficients for multicomponent gaseous mixture condensation in a packed-bed direct contact condenser column are calculated and a modified correlation of mass transfer is developed. The parameters of the mass transfer model are obtained from operating conditions of the PB-DCD, stream conditions and thermodynamic properties. A modified Sherwood correlation is developed to predict IPA separation from a gaseous mixture consisting of air, water, and IPA. The modified Sherwood correlation is applied to successfully predict the Sherwood number with a mean absolute error equal to 6.6 %. According to the experimental results, the maximum IPA separation achieved was 76.3 %, which corresponds to a water recovery rate of 58.7 %.

42 ENGINEERING↗

DOE OSTI2016

Electrospun montmorillonite modified poly(vinylidene fluoride) nanocomposite separators for lithium-ion batteries

Highlights: • Composite separators of PVDF and MMT for lithium-ion batteries were electrospun. • Thermal dimensional stability and tensile property of composite separators get improved. • Presence of montmorillonite promotes electrical properties of PVDF fibrous separators. • Batteries consisting of PVDF/MMT-5% separator achieve the best performance. - Abstract: Composite separators of poly(vinylidene fluoride) (PVDF) with different contents of montmorillonite (MMT) for Li-ion batteries have been fabricated by electrospinning. The morphology, function group, crystallinity, and mechanical properties of membranes were investigated by scanning electron microscope (SEM), Fourier Transform infrared spectra (FT-IR), differential scanning calorimetry (DSC), and tensile test, respectively. Interlayer spacing of MMT in polymer was characterized by X-ray diffraction (XRD). In addition, the results of electrochemical measurements suggest that PVDF/MMT-5% composite membrane has maximum ionic conductivity of 4.2 mS cm{sup −1}, minimum interfacial resistance of 97 Ω, and excellent electrochemical stability. The cell comprising PVDF/MMT-5% composite membrane shows higher capacity and more stable cycle performance than the one using commercial Celgard PP membrane.

36 MATERIALS SCIENCE↗

DOE OSTI2012

CO2/light gas separation performance of cross-linked poly(vinylimidazolium) gel membranes as a function of ionic liquid loading and cross-linker content

A series of cross-linked poly(vinylimidazolium)-RTIL gel membranes was synthesized and evaluated for room-temperature, ideal CO2/N-2, CO2/CH4, and CO2/H-2 separation performance. The membranes were formed by photo-polymerization of oligo(ethylene glycol)-functionalized cross-linking (i.e., di-functional) and non-cross-linking (i.e., mono-functional) vinylimidazolium RTIL monomers with nonpolymerizable, "free RTIL." The effect of free RTIL ([emim][Tf2N]) loading on CO2 separation performance was evaluated by varying RTIL loading at three levels (45, 65, and 75 wt.%). The effect of cross-linker content on CO2 separation performance was also evaluated by varying the copolymer composition of cross-linked membranes from 5 to 100 mol% di-functional monomer. The substituent on the monofunctional RTIL monomer was also varied to investigate the effect of substituent structure and chemistry on CO2 separation performance. CO2 permeability was dramatically increased with higher loading of free RTIL. Increased RTIL loading had no effect on CO2/N-2 or CO2/CH4 permeability selectivity, but significantly improved CO2/H-2 permeability selectivity. Reducing the cross-linking monomer concentration generally improved CO2 permeability. However, anomalous permeability and selectivity behavior was observed below critical concentrations of cross-linker. The effect of the substituent on the monofunctional monomer on CO2 separation performance was minimal compared to the effects of RTIL loading and copolymer composition. (C) 2012 Elsevier B.V. All rights reserved.

Carlisle, TK↗

DOE OSTI2025

Microporous pentiptycene-based polybenzimidazole membranes for high temperature H 2 /CO 2 separation

Separating H 2 from syngas at elevated temperatures (100–250 °C) have attracted significant attention in recent years as a means to reduce energy consumption and capital costs in precombustion carbon capture processes, such as those following steam reforming of natural gas or coal gasification. Polybenzimidazole (PBI), particularly m-PBI, has been reported as a leading membrane material for high-temperature H 2 /CO 2 separation. However, m-PBI exhibits extremely low H 2 permeability, even at high temperatures, which limits its productivity in H 2 /CO 2 separation applications. Here, to address this limitation, this work introduces a new pentiptycene-based polybenzimidazole (PPBI) featuring significantly enhanced H 2 permeability and attractive high-temperature H 2 /CO 2 separation performance, which stems from the unique configurational free volume elements introduced by pentiptycene moieties. Further tuning of the free volume architecture of PPBI films is achieved via acid doping with phosphoric acid (PA) or trans-aconitic acid (TaA), which introduces crosslinking among PPBI chains. Under mixed-gas environment (50/50 mol% H 2 /CO 2 ) at 180 °C, the acid-doped PPBI films exhibit a ∼230 % increase in H 2 /CO 2 selectivity compared to pristine PPBI film while maintaining high H 2 permeability that is nearly 500 % of m-PBI. These properties approach the predicted upper bound for membrane operating at 180 °C, highlighting its great potential for high-temperature H 2 /CO 2 separation.

Liu, Mengdi [University of Notre Dame, IN (United ↗

DOE OSTI2012

The T4 Phage SF1B Helicase Dda Is Structurally Optimized to Perform DNA Strand Separation

Helicases move on DNA via an ATP binding and hydrolysis mechanism coordinated by well-characterized helicase motifs. However, the translocation along single-stranded DNA (ssDNA) and the strand separation of double-stranded (dsDNA) may be loosely or tightly coupled. Dda is a phage T4 SF1B helicase with sequence homology to the Pif1 family of helicases that tightly couples translocation to strand separation. The crystal structure of the Dda-ssDNA binary complex reveals a domain referred to as the pin that was previously thought to remain static during strand separation. The pin contains a conserved phenylalanine that mediates a transient base-stacking interaction that is absolutely required for separation of dsDNA. The pin is secured at its tip by protein-protein interactions through an extended SH3 domain thereby creating a rigid strut. The conserved interface between the pin and the SH3 domain provides the mechanism for tight coupling of translocation to strand separation.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Optimization of uranium and plutonium separations using TEVA and UTEVA cartridges for MC-ICP-MS analysis of environmental swipe samples

We report that the analysis of environmental swipe samples for ultra-trace uranium (U) and plutonium (Pu) determinations is essential in the nuclear safeguards community. While mass spectrometry techniques for U and Pu detection continually improve, established separation methods are seldom reevaluated. Currently, actinide separations within the forensics community predominantly employ either Eichrom TEVA® or UTEVA® resins. The direct optimization of U and Pu separations utilizing both resins has not been widely reported. Here, several methods were explored with goals of increasing analyte recovery, acquiring cleaner blanks, and improving the separation efficiency of ultra-trace levels of U and Pu from environmental swipe samples. Finally, the optimized separation methodology of U and Pu was examined using certified reference materials and archived environmental swipe samples.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2014

Separation of polycarbonate and acrylonitrile–butadiene–styrene waste plastics by froth flotation combined with ammonia pretreatment

Highlights: • Ammonia treatment changes selectively floatability of PC. • The effects of ammonia on PC were investigated through contact angle and XPS. • Reactions between ammonia and PC surface make PC more hydrophilic. • PC and ABS mixtures with different particle sizes were separated effectively. - Abstract: The objective of this research is flotation separation of polycarbonate (PC) and acrylonitrile–butadiene–styrene (ABS) waste plastics combined with ammonia pretreatment. The PC and ABS plastics show similar hydrophobicity, and ammonia treatment changes selectively floatability of PC plastic while ABS is insensitive to ammonia treatment. The contact angle measurement indicates the dropping of flotation recovery of PC is ascribed to a decline of contact angle. X-ray photoelectron spectroscopy demonstrates reactions occur on PC surface, which makes PC surface more hydrophilic. Separation of PC and ABS waste plastics was conducted based on the flotation behavior of single plastic. At different temperatures, PC and ABS mixtures were separated efficiently through froth flotation with ammonia pretreatment for different time (13 min at 23 °C, 18 min at 18 °C and 30 min at 23 °C). For both PC and ABS, the purity and recovery is more than 95.31% and 95.35%, respectively; the purity of PC and ABS is up to 99.72% and 99.23%, respectively. PC and ABS mixtures with different particle sizes were separated effectively, implying that ammonia treatment possesses superior applicability.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Surface treatment with Fenton for separation of acrylonitrile-butadiene-styrene and polyvinylchloride waste plastics by flotation

Highlights: • Surface treatment with Fenton was developed for flotation separation of waste plastics. • Surface treatment changes selectively the floatability of ABS surface. • Mechanism of surface treatment was studied by FT-IR and XPS analysis. • Plastic mixtures with different particle sizes and mass fractions were separated effectively. - Abstract: Surface treatment with Fenton was applied to flotation separation of acrylonitrile-butadienestyrene (ABS) and polyvinylchloride (PVC). After treatment, the floatability of ABS has a dramatic decrease, while the floatability of PVC is not affected. Fourier transform infrared spectroscopy (FT-IR) spectra and X-ray photoelectron spectroscopy (XPS) spectra were recorded to ascertain the mechanism of Fenton treatment. FT-IR and XPS analysis confirms that the introduction of oxygen-containing group occurs on the surface of ABS. The optimum conditions are molar ration (H{sub 2}O{sub 2}:Fe{sup 2+}) 10000, H{sub 2}O{sub 2} concentration 0.4 M/L, pH 5.8, treatment time 2 min and temperature 25 °C, frother concentration 15 mg/L and flotation time 3 min. Particle sizes and mixing ratios were also investigated. Plastic mixtures of ABS and PVC with different particle sizes and mixing ratios can be effectively separated. The purity of ABS and PVC are up to 100% and 99.78%, respectively; the recovery of ABS and PVC are up to 99.89% and 100%, respectively. A practical, environmentally friendly and effective reagent, namely Fenton, was originally applied to surface treatment of ABS and PVC waste plastics for flotation separation of their mixtures.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Effects of moisture content of food waste on residue separation, larval growth and larval survival in black soldier fly bioconversion

Highlights: • Separation of the residue from the insect biomass by sieving was feasible. •To sieve the residue, use food waste at 70% or 75% moisture content, not 80%. • Larval growth was the fastest when using food waste at 80% moisture content. • Moisture content of the food waste did not affect the larval survival rate. • Survival rate was at least 95% in a rotary drum reactor with temperature control. - Abstract: In order to foster sustainable management of food waste, innovations in food waste valorization technologies are crucial. Black soldier fly (BSF) bioconversion is an emerging technology that can turn food waste into high-protein fish feed through the use of BSF larvae. The conventional method of BSF bioconversion is to feed BSF larvae with food waste directly without any moisture adjustment. However, it was reported that difficulty has been experienced in the separation of the residue (larval excreta and undigested material) from the insect biomass due to excessive moisture. In addition to the residue separation problem, the moisture content of the food waste may also affect the growth and survival aspects of BSF larvae. This study aims to determine the most suitable moisture content of food waste that can improve residue separation as well as evaluate the effects of the moisture content of food waste on larval growth and survival. In this study, pre-consumer and post-consumer food waste with different moisture content (70%, 75% and 80%) was fed to BSF larvae in a temperature-controlled rotary drum reactor. The results show that the residue can be effectively separated from the insect biomass by sieving using a 2.36 mm sieve, for both types of food waste at 70% and 75% moisture content. However, sieving of the residue was not feasible for food waste at 80% moisture content. On the other hand, reduced moisture content of food waste was found to slow down larval growth. Hence, there is a trade-off between the sieving efficiency of the residue and the larval growth rate. Furthermore, the larval survival rate was not affected by the moisture content of food waste. A high larval survival rate of at least 95% was achieved using a temperature-controlled rotary drum reactor for all treatment groups. The study provides valuable insights for the waste management industry on understanding the effects of moisture content when employing BSF bioconversion for food waste recycling.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2010

Separation of Peptide Isomers with Variant Modified Sites by High-Resolution Differential Ion Mobility Spectrometry

Many proteins and proteolytic peptides incorporate the same post-translational modification (PTM) at different sites, creating multiple localization variants with different functions or activities that may coexist in cells. Current analytical methods based on liquid chromatography (LC) followed by tandem mass spectrometry (MS/MS) are challenged by such isomers that often co-elute in LC and/or produce non-unique fragments. Application of ion mobility spectrometry (IMS) has previously been explored, but success was limited by insufficient resolution. We show that the recently developed high-resolution differential ion mobility spectrometry (FAIMS) using helium-rich gases can readily separate phosphopeptides with variant modified sites. Specifically, use of He/N2 mixtures containing up to 74% He has allowed separating to >95% three monophosphorylated peptides of identical sequence. Similar separation was achieved at 50% He, using an elevated electric field. Bisphosphorylated isomers that differ in only one modification site were separated to the same extent. We anticipate the FAIMS capabilities for such separations to extend to other PTMs.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Covalent Triazine Framework-Derived Membranes: Engineered Sol–Gel Construction and Gas Separation Application

Covalent triazine frameworks (CTFs) represent one of the most extensively studied organic networks characterized by graphitic π-conjugated structures linked by aza-fused rings, possessing unique features such as compositions of light elements (e.g., C, H, and N), porous architectures abundant heteroatom involvement, and extensively conjugated structures. In addition, the textural and chemical structures of CTFs could be engineered via synthesis control to accommodate diverse applications. CTF materials with notable characteristics, including plentiful (ultra-)micropores, high surface areas, and the presence of CO 2 -philic functional groups involving nitrogen (N), oxygen (O), and fluorine (F), hold great promise as potential candidates for anthropogenic CO 2 capture and sequestration (CCS) applications. However, the conventional high-temperature involved ionothermal procedures and the solution-based coupling pathway only afforded CTF materials in powder form, which is difficult to be processed toward membrane formation. Successful fabrication of CTF-derived membranes will rely on the development of alternative polymerization approaches as well as structural engineering to afford membrane architectures with controllable porosity distribution and active interaction sites with CO 2 benefiting the CO 2 separation procedure. In this Account, a demonstration of the latest progress in the development of CTF-derived membranes was provided. The CTF membranes were mainly synthesized via a superacid (e.g., CF 3 SO 3 H)-promoted sol–gel approach involving the polymerization of aromatic nitrile monomers. The formation of the triazine unit through the trimerization of cyano groups served as the cross-linkers, resulting in the creation of π-conjugated networks alongside the arenes present in the starting materials. The aromatic nitrile monomers with rigid and sterically hindered structures were required to afford CTF membranes with nanoporous architectures. The acidity of the superacid and reactivity of the aromatic monomers played critical roles in the polymerization efficiency. The monomer diversity and synthesis tunability endowed the introduction of CO 2 -philic functionalities (e.g., pyrazole and fluorine) within the CTF skeletons, and integration of ionic moieties was achieved by adopting FSO 3 H with stronger acidity as the catalyst and aromatic nitrile monomers with pyrazine structures. To ensure the successful construction of fluorinated CTF membranes, it is important to avoid any fluorines on the ortho-position of the cyano groups on the benzene ring. Through control over the monomers and reaction conditions, flexible, transparent, and insoluble CTF membranes could be fabricated. The sol–gel method could be further expanded to membrane fabrication through acetyl-to-benzene transformation through synthesis control. The mild oxidation-exfoliation-filtration method was also demonstrated to fabricate substrate-supported CTF membranes. The as-afforded membranes are well characterized to determine the structural features and provide information to study the structure-performance relationship. Here, the application of CTF membranes in CO 2 separation was summarized, focusing on the approaches being developed to enhance CO 2 uptake and separation performance. In addition to utilizing the pristine CTF membranes for gas separation, functionalized carbon molecular sieve membranes could be obtained from the pyrolysis of thermally stable CTF membrane precursors toward efficient CO 2 separation, benefiting from the abundant ultramicropores being created during the pyrolysis/decomposition procedure and involvement of CO 2 -philic functionalities such as fluorine and nitrogen-containing moieties. Based on these achievements, unsolved issues in CTF membrane-related fabrication and applications, including the potential solution approaches, have been proposed to advance the application of CTF membranes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Frontiers of Ionic Liquids in Carbon Dioxide Separation and Valorization

Ionic liquids (ILs) have emerged as highly tunable sorbents and membranes for gas separation, especially in the purification of CO 2 -containing gas streams such as air, natural gas, biogas, and syngas. Their negligible volatility, high thermal stability, and chemical versatility position them as promising alternatives to conventional amine and alkaline metal derivative-based systems, effectively addressing key challenges such as volatility, stability, and high regeneration energy. Here, this Review explores IL-derived systems for CO 2 -related gas separation across dense, porous, and supported categories. At the dense liquid level, we discuss strategies for tailoring IL properties to optimize CO 2 sorption, focusing on the correlation between IL-CO 2 interaction strength, uptake capacity, and regeneration energy. Key advancements in carbon capture, including amino-functionalized (AILs) and superbase-derived ILs (SILs), are highlighted, along with strategies such as chemical structure engineering, multiple binding site integration, alternative driving force exploration, and stability enhancement. Then, the porous liquids (PLs) scale focuses on the emerging field integrating IL properties with permanent porosity engineering, spanning ultramicropores (<5 Å) to macropores (around 100 nm). These innovations improve gas uptake capacity, accelerate transport kinetics, introduce the gating effect, and enable the coexistence of active sites with antagonistic properties within a single IL medium. At the supported IL scale, the discussion shifts to IL- and ionic pair-modified sorbents and membranes, emphasizing the modulation of cations and anions, confinement effects from porous supports, and the IL–interface interaction to enhance CO 2 separation performance, particularly in diluted gas streams. Beyond separation, this Review highlights IL-based integrated processes for CO 2 capture and conversion into value-added chemicals via thermocatalytic, electrocatalytic, and photocatalytic pathways. At each scale, advanced computational and experimental tools for IL design are also discussed, providing insights into stability enhancement, sorption efficiency, and process integration. The Review concludes by addressing existing challenges and outlining future directions for IL-driven innovations in gas separation technologies.

Qiu, Liqi [Univ. of Tennessee, Knoxville, TN (Unit↗

DOE OSTI2020

3D-Printed Membranes with a Zwitterionic Hydrogel Coating for More Robust Oil–Water Separation

Three-dimensional (3D)-printed membranes via stereolithography (SLA) are promising in oil–water separation, which is the key in the purification of industrial oily wastewater. To achieve gravity-driven oil–water separation, the membrane material needs to be simultaneously hydrophilic/oleophobic. However, most of the state-of-the-art materials for SLA do not meet the requirement. While water-adsorbing hydrogel is simultaneously hydrophilic/oleophobic and there have been reports on 3D printing of hydrogels in biomedical applications, the hydrogel is too soft for membrane application. Here, we report a simple approach to tackle the issue: a hydrogel coating on SLA-based plastic membranes. The coating is fabricated, using [2-(methacryloyloxy) ethyl] dimethyl-(3-sulfopropyl) ammonium hydroxide as the zwitterionic monomer and acrylamide as the comonomer, via in situ polymerization on SLA-based plastic membranes. The contact angle tests and Fourier transform infrared spectrum show that such a membrane readily adsorbs water and becomes simultaneously hydrophilic/oleophobic. The oil–water separation tests indicate that the water-adsorbed membrane is highly efficient in gravity-driven oil–water separation in 31 repeating cycles. Our results indicate the great potential of 3D-printed membranes in oil–water separation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Downstream Separation of Formic Acid with Anion-Exchange Resin from Electrocatalytic Carbon Dioxide (CO 2 ) Conversion: Adsorption, Kinetics, and Equilibrium Modeling

The electrocatalytic carbon dioxide reduction reaction (CO 2 RR) that produces liquid formic acid (FA) is one potential route to minimize the CO 2 concentration in the atmosphere by utilizing CO 2 as a feedstock. However, one of the main disadvantages of this route is the high energy demand required for purification through conventional distillation. This method of purification has been shown to result in a large carbon footprint in life-cycle analysis (LCA). Therefore, finding an alternative purification technique that can integrate with an electrochemical CO 2 RR process with the potential to lower the carbon footprint would be of great interest. Under the experimental conditions of the CO 2 RR, FA remains in its basic form as the formate anion in the catholyte. Anion exchange resins with their basic properties can separate the formate anion from the catholyte mixture as an alternative to energy intensive distillation. In this work, three anion exchange resins with increasing basicity order: Amberlite IRA-96 < Amberlite IRA-910 < Ambersep 900 are tested to separate FA in the presence of aqueous solution of potassium bicarbonate catholyte with varying levels of resin and FA. Kinetics and equilibrium studies data for the FA adsorption are interpreted using several kinetics and isotherm models. The kinetics data fit well with a pseudo-first-order model at high initial FA concentrations and a pseudo-second-order model at low initial FA concentrations. The experimental data can be best explained with the Freundlich isotherm model. The fitted results show that strongly basic Ambersep 900 is more effective at separating FA, with a maximum adsorption capacity of 336.7 mg/g compared to Amberlite IRA-96 (275.2 mg/g) and Amberlite IRA-910 (209.2 mg/g) in neutral water. However, weakly basic Amberlite IRA-96 (110.8 mg/g) can separate FA more efficiently from potassium bicarbonate catholyte than Amberlite IRA-910 (99.9 mg/g) and Ambersep 900 (40.0 mg/g). As a result, competitive adsorption occurs in the presence of potassium bicarbonate catholyte, but the formic acid adsorption capacity is still sufficient for adequate separation.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2022

Syntheses and Characterization of Tetrazolate-Based Lanthanide Compounds and Selective Crystallization Separation of Neodymium and Dysprosium

Selective crystallization offers new opportunities for separating neodymium and dysprosium, which are considerably important in permanent magnets. Two water-soluble nitrogen-rich tetrazolate-based ligands, dtp 2– (H 2 dtp = 2,3-di-1H-tetrazol-5-ylpyrazine) and H 2 ibt – [H 3 ibt = 4,5-bis(tetrazol-5-yl)imidazole], allow the separation of Nd 3+ and Dy 3+ through selective crystallization. The reactions of Ln 3+ with the ligand Na 2 (dtp)·2H 2 O lead to two distinct phases, Na[Ln(dtp)(H 2 O) 8 ](dtp)·H 2 O (Lndtp1; Ln = La–Pr) and [Ln(H 2 O) 8 ](Hdtp)(dtp)·H 2 O (Lndtp2; Ln = Nd and Sm–Lu). Three different compound types, [Ln(H 2 ibt) 2 (H 2 O) 6 ](H 2 ibt)·3(H 2 O) (Lnibt1; Ln = La or Ce), [Ln(H 2 ibt)(H 2 O) 7 ](H 2 ibt) 2 ·4(H 2 O) (Lnibt2; Ln = Pr or Nd), and [Ln(Hibt)(H 2 ibt)(H 2 O) 4 ]·4+x(H 2 O) (Lnibt3; Ln = Sm–Lu), are obtained from reacting Ln 3+ and Na(H 2 ibt)·3(H 2 O). Two different phases are observed for Nd(Lnibt2) and Dy(Lnibt3) in the system of H 2 ibt – , which leads to crystallization-based separation of Nd/Dy with a separation factor of 32 ± 0.7, 10 times higher than that of dtp 2– , and a short separation time of 20 s (1 day for dtp 2– ). As a result, the higher performance of H 2 ibt – compared to that of dtp2– provides guidance for the rational design of water-soluble tetrazolate-derived ligands for selective crystallization.

Crystal structure↗