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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Ammonia separation from N 2 and H 2 over LTA zeolitic imidazolate framework membranes

LTA type zeolitic imidazolate framework membranes denoted as ZIF-21 were synthesized and evaluated for the separation of a commodity chemical, ammonia, from nitrogen and hydrogen. Membranes were grown using secondary seeded growth. Ammonia permeances were as high as 1727 GPU, with NH 3 /N 2 , and NH 3 /H 2 ideal selectivities of 35, and 12 respectively. ZIF-21 membranes were also evaluated for gas mixtures composed of 13.8:86.2 NH 3 /N 2 and NH 3 /H 2 , with mixture separation selectivities as high as 7.6 for NH 3 /N 2 . Differences in adsorption, and diffusivities were identified as the key separation mechanisms. Specifically, for both gas pairs the polar-polar interaction between ammonia and the linker polar channels, led to the preferential adsorption of ammonia, and therefore favored thermodynamically the separation of ammonia from nitrogen and hydrogen. In addition, for NH 3 /N 2 gas pair, differences in diffusivities was a contributing separation mechanism. For NH 3 /H 2 gas pair, due to the faster hydrogen diffusivity, the kinetic contribution was a strong competing separation mechanism.

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

A review of separation processes proposed for advanced fuel cycles based on technology readiness level assessments

The results of an international review of separation processes for spent nuclear fuel (SNF) recycling in future closed fuel cycles are reported. This study was made by the Expert Group on Fuel Recycling Chemistry (EGFRC) organised by the Nuclear Energy Agency (NEA) of the Organisation for Economic Co-operation and Development (OECD). A unique feature of this study was that processes were classified according to a hierarchy of separations aimed at different elements within spent fuel (uranium; uranium-plutonium co-recovery; minor actinides; high heat generating radionuclides) and also the Head-end processes, used to prepare the SNF for chemical separation, were included. Separation processes covered both wet (hydrometallurgical) and dry (pyro-chemical) processes. A bespoke methodology suitable for assessing the technological maturities of separation processes for SNF recycling was then designed based on the well-established Technology Readiness Level (TRL) scale but adapted for spent nuclear fuel separations. The innovative feature of this was the use of a matrix approach that enabled information on both the scale of testing and materials used in testing to be combined in the evaluation of the TRL. TRLs for the Head-end, hydrometallurgical and pyrochemical processes that had been reviewed by the study have been evaluated. It is clear that, whilst more R&D is needed in most cases to raise TRLs, suitable options exist to enable the recovery of all actinide elements plus the HHRs by wet or dry processes, even up to the extraordinarily difficult isolation of americium alone. The technology readiness levels (TRL) for most processes fall in the ‘proof of principle’ range with TRLs between 4 and 6, although this is an evaluation at the system level and some gaps in the individual process steps may still exist that strictly would reduce the overall TRL. That is, flowsheets have been proposed for processes and tested with active materials under increasingly relevant conditions, through to initial hot tests with small quantities of SNF. The results of this work were shown to be comparable to a parallel European study that evaluated TRLs for minor actinide partitioning processes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Octane-On-Demand: Onboard Separation of Oxygenates from Gasoline

Increasing standards for emissions and fuel economy have driven the need for downsizing of the internal combustion engines. To accommodate this change and prevent the possibility of knocking, fuels with higher octane numbers are needed. However, octane requirements are not uniform across the whole vehicle drive cycle, which leads to inefficient use of the high-octane fuel components. In approach that has been shown to substantially increase fuel economy, a dual-fuel solution, also called octane-on-demand, can be used and supply fuel with the required octane rating by metering in the appropriate ratio of high and low octane fuels, as dictated by the driving conditions. Barriers associated with introducing two fuels in the marketplace for an octane-on-demand approach can be mitigated by the use of an onboard separation system, which separates a single fuel, such as market E10 gasoline, into the high-octane oxygenate, like ethanol, and the a lower-octane base fuel. Currently investigated onboard separation systems rely on pervaporation membranes, which lose efficiency as the oxygenate is removed, and do not separate the entirety of it, leading to loses of this valuable component. Here, we present chemical separation strategies, such as liquid-solid and liquid-liquid extraction that provide advantages over membrane separation. This paper introduces applications of tailored chemical reactions, solid sorbent materials, and ionic liquids that are shown to have a high oxygenate recovery, and utility extended beyond ethanol to potential future oxygenate additives, such as isomers of butanol.

ethanol separation, octane-on-demand, SAMMS, Ionic↗
DOE OSTI2020

Pyrazine-Fused Porous Graphitic Framework-Based Mixed Matrix Membranes for Enhanced Gas Separations

Membrane-based separations can mitigate the capital- and energy-intensive challenges associated with traditional thermally driven processes. To further push the boundary of gas separations, mixed matrix membranes (MMMs) have been extensively exploited; however, identifying an optimal nanofiller to boost the separation performance of MMMs beyond Robeson permeability-selectivity upper bounds remains an ongoing challenge. In this study, a new class of MMMs based on pyrazine-fused crystalline porous graphitic frameworks (PGFs) is reported. At a loading of 6 wt % PGFs, the MMMs surpass the current H 2 /CH 4 Robeson upper bound, ideally suited for applications such as H 2 regeneration. In addition, the fabricated MMMs exhibit appealing CO 2 separation performance, closely approaching the current Robeson upper bounds for CO 2 separation. Compared with the pristine polymeric membranes, the PGF-based MMMs display a record-high enhancement of gas permeability over 120% while maintaining intrinsic gas selectivities. Highlighting the crucial role of the crystallinity of nanofillers, this study demonstrates a facile and effective approach in formulating high-performance MMMs, complementing state-of-the-art membrane formation processes. The design principles open the door to energy-efficient separations of gas mixtures with enhanced productivity compatible with the current membrane manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Construction of an Anion-Pillared MOF Database and the Screening of MOFs Suitable for Xe/Kr Separation

The separation of xenon/krypton (Xe/Kr) mixtures is a challenging process. Many porous materials allow the adsorption of both Xe and Kr but only with low selectivity. Anion-pillared metal–organic frameworks (MOFs), featuring the anion groups as structural pillars, show potential in gas separations, but only a limited number of them have been synthesized. Here, we describe a collection of 936 anion-pillared MOFs based on 22 experimentally available structures. We performed density functional theory (DFT) optimization and then assigned density-derived electrostatic and chemical (DDEC) charges for each MOF to make them well suited to molecular simulations. The structural properties of the MOFs vary more strongly with the choice of the organic ligand than with other aspects like fluorine groups and metal centers. We then screened the entire collection of MOFs in the context of Xe/Kr separation at room temperature. Compared with previously reported MOFs, the interpenetrated MOF SIFSIX-6-Cd-i is predicted to perform better for Xe/Kr separations, with a good balance between working capacity (1.62 mmol/g) and separation selectivity (16.4) at 298 K and 100 kPa. Here, we also found that the heterogeneity of fluorine groups within a MOF can help to enhance Xe working capacity without reducing the Xe/Kr selectivity, suggesting that synthesis of anion-pillared MOFs with mixed fluorine groups may lead to improved Xe/Kr separation performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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 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 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↗
NASA NTRSDate not supplied

Validation Experiments of Incipient Turbulent Separation over an Axisymmetric Afterbody

Historically, the flow physics involved with most turbulent separated flows have presented fundamental challenges in validation between experimental and numerical approaches. As recognized by the CFD Vision 2030 study commissioned by NASA, validation of Reynolds-averaged Navier-Stokes (RANS) models and other scale-resolving methods for turbulent separated flow requires the support of advanced, high-fidelity experiments designed specifically for CFD implementation. In accordance with this effort, a new test platform, referred to as the NASA Axisymmetric Afterbody, was designed to obtain detailed information of the flow field over a smooth body, undergoing adverse pressure gradient induced separation for a fixed Reynolds number, Re = 180,000. The parametric body offers a range of flow states from fully attached,incipient separation, to fully separated flow based on variable afterbody geometries. In an initial effort to evaluate RANS turbulence model capabilities, the present configuration of the axisymmetric model features a mild adverse pressure gradient over the contoured boattail section, inducing incipient turbulent separation. Experiments include steady pressure measurements to serve as preliminary comparisons to simulation studies, which examine the effect of variable grid domains and RANS turbulence models, in an effort to understand and evaluate the critical variability between solutions for the present configuration. Results indicate potential discrepancies may be due to the effect of the square tunnel test section walls, relatively large blockage ratio, and inconsistent reference parameters. Ongoing work will focus on the experimental campaigns to obtain surface flow visualizations and high-resolution, off-body flow field measurements using Stereoscopic Particle Image Velocimetry (SPIV) and Laser Doppler Velocimetry (LDV) techniques to provide a detailed benchmark dataset to aid turbulence modelers.

axisymmetric afterbody↗
NASA NTRS2021

Simulation Study for Interoperability of Urban Air Mobility Scheduling and Separation Services in Ideal Conditions

Provision of strategic scheduling and tactical separation services is vital to the safe and efficient operation of vehicles in the urban airspace. This paper describes the efforts made towards the integration of two such services in a simulation environment under ideal conditions and the subsequent studies done on evaluation of system performance. The scheduling and separation services are set up to complement each other to ensure safe separation between airborne aircraft. The utility of these services will become important as the level of traffic increases. This paper describes the simulation experiments conducted to identify cases where the system performance measured by the number of observed losses of separation degrades even with the scheduling and separation services active. From the results obtained, we identify conditions under which the required maneuvers increase and when we observe airborne conflicts even with separation service active. Results obtained will inform requirements for future advancements both in these services independently and in their joint operations.

Urban Air Mobility↗
NASA NTRSDate not supplied

Simulation Study for Interoperability of Urban Air Mobility Scheduling and Separation Services in Ideal Conditions

Provision of strategic scheduling and tactical separation services is vital to the safe and efficient operation of vehicles in the urban airspace. This paper describes the efforts made towards the integration of two such services in a simulation environment under ideal conditions and the subsequent studies done on evaluation of system performance. The scheduling and separation services are set up to complement each other to ensure safe separation between airborne aircraft. The utility of these services will become important as the level of traffic increases. This paper describes the simulation experiments conducted to identify cases where the system performance measured by the number of observed losses of separation degrades even with the scheduling and separation services active. From the results obtained, we identify conditions under which the required maneuvers increase and when we observe airborne conflicts even with separation service active. Results obtained will inform requirements for future advancements both in these services independently and in their joint operations.

Urban Air Mobility↗
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↗