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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Flexible Zn-MOF with Rare Underlying scu Topology for Effective Separation of C6 Alkane Isomers

Adsorptive separation by porous solids provides an energy-efficient alternative for the purification of important chemical species compared to energy-intensive distillations. Particularly, the separation of linear hexane isomers from its branched counterparts is crucial to produce premium grade gasoline with high research octane number (RON). Herein, we report the synthesis of a new, flexible zinc-based metal-organic framework, [Zn 5 (μ 3 -OH) 2 (adtb) 2 (H 2 O) 5 ·5 DMA] (Zn-adtb), constructed from a butterfly shaped carboxylate linker with underlying (4,8)-connected scu topology capable of separating the C6 isomers nHEX, 3MP, and 23DMB. The sorbate-sorbent interactions and separation mechanisms were investigated and analyzed through in situ FTIR, solid state NMR measurements and computational modeling. Here these studies reveal that Zn-adtb discriminates the nHEX/3MP isomer pair through a kinetic separation mechanism and the nHEX/23DMB isomer pair through a molecular sieving mechanism. Column breakthrough measurements further demonstrate the efficient separation of linear nHEX from the mono- and dibranched isomers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Robust and Elastic Polymer Membranes with Tunable Properties for Gas Separation

Here, polymer membranes with the capability to process a massive volume of gas are especially attractive for practical applications of gas separation. Although much effort has been devoted to develop novel polymer membranes with increased selectivity, the overall gas-separation performance and lifetime of membrane are still negatively affected by the weak mechanical performance, low plasticization resistance and poor physical aging tolerance. Recently, elastic polymer membranes with tunable mechanical properties have been attracting significant attentions due to their tremendous potential applications. Herein, we report a series of urethanerich PDMS-based polymer networks (U-PDMS-NW) with improved mechanical performance for gas separation. The cross-link density of U-PDMS-NWs is tailored by varying the molecular weight ( M n ) of PDMS. The U-PDMS-NWs show up to 400% elongation and tunable Young’s modulus (1.3–122.2 MPa), ultimate tensile strength (1.1–14.3 MPa), and toughness (0.7–24.9 MJ/m 3 ). All of the U-PDMS-NWs exhibit salient gas-separation performance with excellent thermal resistance and aging tolerance, high gas permeability (>100 Barrer), and tunable gas selectivity (up to α[ P CO 2 / P N 2 ] ≈ 41 and α[ P CO 2 / P CH 4 ] ≈ 16). With well-controlled mechanical properties and gas-separation performance, these U-PDMS-NW can be used as a polymermembrane platform not only for gas separation but also for other applications such as microfluidic channels and stretchable electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Selective partitioning and uphill transport enable effective Li/Mg ion separation by negatively charged membranes

Efficient separation of lithium (Li + ) and magnesium (Mg 2+ ) is critical for enhancing sustainable lithium extraction from natural brines, which is vital for battery production and renewable energy technologies. Here we present a method for highly selective Li + /Mg 2+ separation driven by concentration gradients across negatively charged membranes with high charge densities. In contrast to typical electric field-driven transport in negatively charged membranes, where divalent cations generally permeate faster than monovalent cations, Li + ions in our system permeate the membrane at substantially higher rates than Mg 2+ ions. This unexpected selectivity stems from the selective ion partitioning properties of the membrane and the uphill transport of Mg 2+ ions against their external concentration gradient. We demonstrate the efficacy of this separation approach through bench-scale dialysis experiments using a model Atacama brine solution, achieving efficient separation of monovalent and divalent cations. As a result, the high separation efficiency observed in this study suggests a promising approach for monovalent/divalent ion separations, offering higher selectivity compared to current technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Enhancing Biological Analyses with Three Dimensional Field Asymmetric Ion Mobility, Low Field Drift Time Ion Mobility and Mass Spectrometry (µFAIMS/IMS-MS) Separations

We report the first evaluation of a platform coupling a high speed field asymmetric ion mobility spectrometry microchip (µFAIMS) with drift tube ion mobility and mass spectrometry (IMS-MS). The µFAIMS/IMS-MS platform was used to analyze biological samples and simultaneously acquire multidimensional information of detected features from the measured FAIMS compensation fields and IMS drift times, while also obtaining accurate ion masses. These separations thereby increase the overall separation power, resulting increased information content, and provide more complete characterization of more complex samples. The separation conditions were optimized for sensitivity and resolving power by the selection of gas compositions and pressures in the FAIMS and IMS separation stages. The resulting performance provided three dimensional separations, benefitting both broad complex mixture studies and targeted analyses by e.g. improving isomeric separations and allowing detection of species obscured by “chemical noise” and other interfering peaks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

The role of carboxylic acids in TALSQueak separations

Recent reports have indicated TALSPEAK-type separations chemistry can be improved through the replacement of bis-2-ethyl(hexyl) phosphoric acid (HDEHP) and diethylenetriamine-N,N,N,N,N-pentaacetic acid (DTPA) with the weaker reagents 2-ethyl(hexyl) phosphonic acid mono-2-ethylhexyl ester (HEH[EHP]) and N-(2-hydroxyethyl)ethylenediamine-N,N',N'-triacetic acid (HEDTA), respectively. This modified TALSPEAK has been provided with an adjusted acronym of TALSQueak (Trivalent Actinide Lanthanide Separation using Quicker Extractants and Aqueous Komplexes). Among several benefits, TALSQueak chemistry provides more rapid phase transfer kinetics, is less reliant on carboxylic acids to mediate lanthanide extraction and allows a simplified thermodynamic description of the separations process that generally requires only parameters available in the literature to describe metal transfer. This manuscript focuses on the role of carboxylic acids in aqueous ternary (M-HEDTA-carboxylate) complexes, americium/lanthanide separations, and extraction kinetics. Spectrophotometry (UV-vis) of the Nd hypersensitive band indicates the presence of aqueous ternary species (K111 = 1.83 {+-} 0.01 at 1.0 M ionic strength, Nd(HEDTA) + Lac <-> Nd(HEDTA)Lac). Varying the carboxylic acid does not have a significant impact on Ln/Am separations or extraction kinetics. TALSqueak separations come to equilibrium in five minutes at the conventional operational pH of 3.6 using only 0.1 M total lactate or citrate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Conjugates of Actinide Chelator-Magnetic Nanoparticles for Used Fuel Separation Technology

The actinide separation method using magnetic nanoparticles (MNPs) functionalized with actinide specific chelators utilizes the separation capability of ligand and the ease of magnetic separation. This separation method eliminated the need of large quantity organic solutions used in the liquid-liquid extraction process. The MNPs could also be recycled for repeated separation, thus this separation method greatly reduces the generation of secondary waste compared to traditional liquid extraction technology. The high diffusivity of MNPs and the large surface area also facilitate high efficiency of actinide sorption by the ligands. This method could help in solving the nuclear waste remediation problem.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2012

New Proton-Ionizable, Calixarene-Based Ligands for Selective Metal Ion Separations

The project objective was the discovery of new ligands for performing metal ion separations. The research effort entailed the preparation of new metal ion complexing agents and polymers and their evaluation in metal ion separation processes of solvent extraction, synthetic liquid membrane transport, and sorption. Structural variations in acyclic, cyclic, and bicyclic organic ligands were used to probe their influence upon the efficiency and selectivity with which metal ion separations can be performed. A unifying feature of the ligand structures is the presence of one (or more) side arm with a pendent acidic function. When a metal ion is complexed within the central cavity of the ligand, ionization of the side arm(s) produces the requisite anion(s) for formation of an overall electroneutral complex. This markedly enhances extraction/transport efficiency for separations in which movement of aqueous phase anions of chloride, nitrate, or sulfate into an organic medium would be required. Through systematic structural variations, new ligands have been developed for efficient and selective separations of monovalent metal ions (e.g., alkali metal, silver, and thallium cations) and of divalent metal ion species (e.g., alkaline earth metal, lead, and mercury cations). Research results obtained in these fundamental investigations provide important insight for the design and development of ligands suitable for practical metal ion separation applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Scoping Studies to Determine Impact of a Low-Alkali Phase Separated Frit on the Behavior of the Frit Slurry and Slurry Mix Evaporator Rheology

The frits used in the vitrification process at the Defense Waste Processing Facility (DWPF) are alkali borosilicate glasses, which are composed mainly of B 2 O 3 , alkali (Li 2 O and Na 2 O) and SiO 2 . As the total alkali concentration in a borosilicate glass is reduced, liquid-liquid immiscibility is exhibited by the glassforming melt, which is analogous to the behavior of oil and water. Upon cooling, the resulting glass matrix is said to be phase separated. The immiscible region is controlled by both composition and temperature. Viscosity of the melt is also a factor as it impacts the reaction rate (kinetics) of phase separation. The reaction rate (kinetics) leading to phase separation is slow for higher viscosity melts, and if such a melt is cooled rapidly (e.g., quenched in water), the resulting glass could be homogeneous, or the scale of the phase separated microstructure could be of no practical significance. Phase separated alkali borosilicate glasses tend to form a more durable silica-rich phase and a less durable alkali borate-rich phase. The overall durability of the phase separated glass depends on the morphology (physical arrangements) of each of these phases. For example, droplets of the alkali borate-rich phase may form within a silicate rich matrix, which would be a more durable glass than a glass with an interconnected alkali borate-rich phase.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Electrically Driven Ion Separations in Permeable Membranes

Ion separations are critical for producing materials such as Li and rare-earth element salts that are essential for applications including energy storage and production. This research aimed to develop and understand separations of singly and multiply charged ions as well as separations among different singly charged ions such as Li + and Na + . Thin layers of polyelectrolytes on membranes allow passage of singly charged ions at rates 1000 times faster than those for multiply charged ions. This allows purification of mixtures with equal concentrations of Li + and Mg 2+ to create a permeate solution with >99% Li + . Such membranes may also effectively isolate rare earth elements. To separate Li + and K + , this work developed opposing flow and current in membranes. The current overcomes the flow of K + to allow Li + to selectively pass through the membrane, leading to Li + /K + selectivities around 70. All of the research employs modelling to better understand the mechanism of these separations, which includes transport driven by gradients in electrical potential, concentration, and pressure. The interplay of these driving forces can create highly selective separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Mesofluidic Inline Separation for Produced Water Treatment

Mesofluidic inline separation developed by PNNL represents an opportunity to remove a key barrier in the treatment of produced water, namely suspended solids that clog downstream operations. The US alone produces over 800 billion gallons of produced water each year, most of which is reinjected underground (but not into the aquifers) as waste. The impact from treating and reusing even a fraction of this wastewater is immense as aquifers in the Midwest and elsewhere dry. The work described herein is essential to leveraging the opportunity to improve produced water quality (to allow for beneficial use) by combining mesofluidic inline separators with reverse osmosis systems. Providing water for agricultural and industrial uses in the American Southwest and Midwest by allowing the reuse of petroleum produced water may be critical to the long-term economics of the region. This is especially true as drought conditions are rapidly lowering aquifer levels in these regions. The incumbent technology for desalination is reverse osmosis (RO) due to its ability to treat a wide range of feedwaters and technological maturity. However, suspended solids cause RO (and other dissolved solids removal technologies) to become clogged and loose performance. A common strategy is to use prefilters upstream of RO systems, but these membrane-based filters easily clog and require regular maintenance. Unlike membrane filters, mesofluidic inline separators provide removal of suspended solids with much lower pressure drops than conventional systems filtration systems, permitting substantially higher flowrates. Although the amount of produced water from petroleum operations is vast, only a small fraction of it is reused or turned into potable water, for example, because of the lack of technologies to remove both dissolved and suspended solids at a significant throughput. This project shows that mesofluidic inline separators coupled with a commercial dissolved solids removal technology (RO) are positioned to do exactly that. Mesofluidic inline separators fit within commercial piping and are tunable for particle sizes of interest as described below. Indeed, mesofluidic inline separators have remarkably smaller footprints than competing filtration technologies and are easily transportable from jobsite to jobsite. This technology has no moving parts so that solids removal can be accomplished at much lower operating cost.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

DOE nuclear separation technologies - 15148

Realizing that challenges are facing US actinide science, separations, and waste form research and development activities including meeting future manpower needs, the U.S Department of Energy (DOE), Office of Environmental Management (EM), Office of Nuclear Energy (NE), and National Nuclear Security Administration (NNSA) jointly co-sponsored a workshop entitled 'Separations Technologies: 'Going from Where We Are to Where We Want to Be' on nuclear separations technologies in Bethesda, Maryland (July 2011) to identify common needs and potential requirements in separations technologies and opportunities for program partnerships. Recognizing the different mission requirements of the sponsoring programs, participants were able to identify areas with common uses and related applications. The two follow-on technical workshops held during the Fall 2012 addressed both the chemical aspects and the physical aspects of nuclear separations. Each workshop consisted of technical discussions regarding future work relevant to DOE goals. The large number of subject matter experts from the national laboratories, academia, and headquarters staff developed a long list of existing and new technology developments in the areas of aqueous separations, pyrochemical processing, waste forms, fuel technology etc... Each of these workshops identified the current state of knowledge or technology, the resources needed, technology development opportunities, and the objectives to reach the desired end-state(s). A consolidated report with its eight appendices will be issued at the end of December 2014 summarizing the outcomes of these workshops. Some examples of these findings will be presented in our contribution. It is clear that, in the current environment of decreasing budgets it is illogical for NE, EM and NNSA to develop its own home-grown technology. Therefore, there is a strong case to be made for leveraging limited resources in order to accomplish all objectives while significantly reducing development costs. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Generalizable Porous Aromatic Framework‐Included Polymer Membranes for Diffusion‐Enhanced Gas Separations

Industrial separation processes account for 10-15% of global energy consumption. Membrane-based processes are less energy-intensive than traditional gas separation technologies; however, enhanced material separation performance and stability for numerous gas mixtures are needed for widespread industrial adoption. This work presents a generalizable strategy for preparing mixed-matrix gas separation membranes exceeding the performance upper bounds of existing polymer membranes for a wide variety of industrial gases. By incorporating robust porous aromatic framework (PAF) particles into various dense commercial polymer matrices, gas diffusivity and solubility can be enhanced. For diverse gas mixtures (e.g., CO2/N2, O2/N2, He/CH4, H2/N2, and C2H4/C2H6), the resulting composite membranes exhibit enhanced gas permeabilities-by as much as 520%-and largely unchanged selectivities even after 6 years of aging under simulated flue gas conditions. These improvements arise from the ultrahigh porosity, excellent chemical compatibility, and unique physicochemical properties of the embedded PAF particles. Functionalizing the PAFs with polyamines also enables composite membranes that achieve among the highest reported performances against plasticization, a common obstacle in commercializing gas separation membranes. Significantly, the PAF-1 particles are readily dispersible in various common membrane casting solvents, suggesting their broader utility as a filler for designing high-performance membranes for many industrial gas separations.

Uliana, Adam A↗
DOE OSTI2023

Metal‐Organic Frameworks for C6 Alkane Separation

Abstract The separation of alkane isomers is an important yet challenging process in the petrochemical industry. Being a crucial step to produce premium gasoline components as well as optimum ethylene feed, the current industrial separation by distillation is extremely energy intensive. Adsorptive separation based on zeolite is limited by insufficient adsorption capacity. Metal‐organic frameworks (MOFs) hold enormous promise as alternative adsorbents due to their diverse structural tunability and exceptional porosity. Precise control of their pore geometry/dimensions has led to superior performance. In this minireview, we highlight the recent progresses in developing MOFs for the separation of C6 alkane isomers. Representative MOFs are reviewed based on their separation mechanisms. Emphasis is put on the material design rationale for achieving optimal separation capability. Finally, we briefly discuss the existing challenges, possible solutions, and future directions of this important field.

Xie, Feng↗
DOE OSTI2019

Scalable One‐Step Gel Conversion Route to High‐Performance CHA Zeolite Hollow Fiber Membranes and Modules for CO 2 Separation

Efficient separation of CO 2 from other molecules such as CH 4 , N 2 , and hydrocarbons is a key problem in many energy production and greenhouse gas reduction schemes. Zeolite materials demonstrate attractive gas separation properties, but their industrial application as membranes in gas separation are elusive because of high cost and low reproducibility of conventional fabrication techniques. A facile method is demonstrated for the fabrication of high‐silica CHA zeolite membranes on low‐cost alumina hollow fiber substrates by a one‐step direct gel conversion method, along with a detailed characterization of the CHA hollow fiber membranes. To demonstrate the scalability of the method, 20 hollow fiber (710 μm OD and 390 μm ID) membranes are synthesized in the same batch and assembled into a module. Under dry conditions, the membranes show an excellent CO 2 permeance up to 3500 GPU (1 Gas Permeation Unit = 3.348 × 10 −10 mol m −2 s −1 Pa −1 ) and an excellent CO 2 separation performance (e.g., CO 2 /CH 4 separation factors up to 210 in the 1–7 bar feed pressure range). In addition, the membranes exhibit a considerable increase in CO 2 selectivity under humid (saturated water vapor) conditions with moderate permeance drops. This study opens a promising new path for accelerated development of low‐cost zeolitic membranes for gas separation technology.

Yang, Shaowei↗
DOE OSTI2019

Ecohydrologic separation alters interpreted hydrologic stores and fluxes in a headwater mountain catchment

Recent studies have demonstrated that compartmentalized pools of water preferentially supply either plant transpiration (poorly mobile water) or streamflow and groundwater (highly mobile water) in some catchments, a phenomenon referred to as ecohydrologic separation. Additionally, the omission of processes accounting for ecohydrologic separation in standard applications of hydrological models is expected to influence estimates of water residence times and plant water availability. However, few studies have tested this expectation or investigated how ecohydrologic separation alters interpretations of stores and fluxes of water within a catchment. In this study, we compare two rainfall-runoff models that integrate catchment-scale representations of transport, one that incorporates ecohydrologic separation and one that does not. The models were developed for a second-order watershed at the H.J. Andrews Experimental Forest (Oregon, USA), the site where ecohydrologic separation was first observed, and calibrated against multiple years of stream discharge and chloride concentration. Model structural variations caused mixed results for differences in calibrated parameters and differences in storage between reservoirs. However, large differences in catchment storage volumes and fluxes arise when considering only mobile water. These changes influence interpreted residence times for streamflow-generating water, demonstrating the importance of ecohydrologic separation in catchment-scale water and solute transport.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

In-Process Melt Separation of Depolymerized PET in PET/PE Blends for Upcycling via Twin-Screw Extrusion

Our previous work focused on depolymerizing polyethylene terephthalate (PET) in twin-screw extrusion, as part of a broader project to continuously separate PET from polyolefins in the melt. This study focused on linear low-density polyethylene (LLDPE) and PET films and the use of ethylene glycol (EG), diethylene glycol (DEG), triethylene glycol (TEG), and bis(2-hydroxyethyl) terephthalate (BHET) to depolymerize the PET in the extruder to levels above 90% Mw. In this work, the focus will shift to achieving separation of the two polymers in the twin-screw extruder, which is made possible due to a 90% reduction in the Mw of the PET, which caused a decrease of its viscosity by several orders of magnitude. Owing to the viscosity difference and pressure buildup in the die, the low-viscosity PET preferentially exited a degassing vent instead of going through the die. This is because the flow of the PET would travel through a non-pressure vent rather than through a high-pressure die. However, owing to the higher viscosity of the LLDPE, the pressure was too high to pass through such a small diameter vent hole. Supercritical CO 2 (SCCO 2 ) was used to assist in this extraction, but SCCO 2 negatively impacted the overall degree of separation. Through analysis of the separated materials, it was concluded that a high separation of the two materials was achieved. TGA and FTIR confirmed that the material separated from the vent was 100% PET. The material removed from the die was composed of 95% LLDPE and 5% PET.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Isobar Separation in a Multiple-Reflection Time-of-Flight Mass Spectrometer by Mass-Selective Re-Trapping

A novel method for (ultra-)high-resolution spatial mass separation in time-of-flight mass spectrometers is presented. Ions are injected into a time-of-flight analyzer from a radio frequency (rf) trap, dispersed in time-of-flight according to their mass-to-charge ratios and then re-trapped dynamically in the same rf trap. This re-trapping technique is highly mass-selective and after sufficiently long flight times can provide even isobaric separation. A theoretical treatment of the method is presented and the conditions for optimum performance of the method are derived. The method has been implemented in a multiple-reflection time-of-flight mass spectrometer and mass separation powers (FWHM) in excess of 70,000, and re-trapping efficiencies of up to 35% have been obtained for the protonated molecular ion of caffeine. The isobars glutamine and lysine (relative mass difference of 1/4000) have been separated after a flight time of 0.2 ms only. Higher mass separation powers can be achieved using longer flight times. The method will have important applications, including isobar separation in nuclear physics and (ultra-)high-resolution precursor ion selection in multiple-stage tandem mass spectrometry. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Separation of rare earth element radioisotopes by reverse-phase high-speed counter-current chromatography

Analytical scale purification of rare earth element (REE) radioisotopes is typically accomplished using cation-exchange resins (e.g. AG 50W-X8) and high-performance liquid chromatography (HPLC). Despite the variety of improvements made since the development of this separation process in the 1950s, nearest neighbor separations remain a challenge, as does the issue of irreversible sample adsorption. Herein, we report a study that evaluates the potential of high-speed counter-current chromatography (HSCCC) as an alternative method for purifying REE elements, with specific reference to separations of fission product REE of interest to nuclear forensics. Complementary HSCCC REE separation experiments, one spiked with radiotracer and REE fission product activity, allowed for in depth analysis of resulting fractions from both an elemental (inductively coupled plasma atomic emission spectroscopy, ICP-AES) and radiological (gamma-ray spectrometry, beta counting) purity perspective. The highly reproducible nature of separation profiles generated from HSCCC instruments was leveraged to simplify work-up of samples containing radioisotopes. Subsequent radioanalytical evaluation revealed minimal carryover of Eu into neighboring Sm and Tb fractions (as indicated by presence of 150Eu), and trace contamination of the Tb fraction with Y (as indicated by presence of 91Y). Subtle differences in stationary phase retention across the two columns were reflected in significant variations in decontamination factors of duplicate parallel separations. Furthermore, these differences paired with obtained distribution of radioisotopes provided valuable insights into future improvements. Collectively, this study represents a significant step forward in development of HSCCC technology for task specific REE radioisotope purification.

07 ISOTOPE AND RADIATION SOURCES↗