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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A superstructure-based framework for bio-separation network synthesis

Modern biotechnologies enable the production of chemicals using engineered microorganisms. However, the cost of downstream recovery and purification steps is high, which means that the feasibility of bio-based chemicals production depends heavily on the synthesis of cost-effective separation networks. To this end, we develop a superstructure-based framework for bio-separation network synthesis. Based on general separation principles and insights obtained from industrial processes for specific products, we first identify four separation stages: cell treatment, product phase isolation, concentration and purification, and refinement. For each stage, we systematically implement a set of connectivity rules to develop stage-superstructures, all of which are then integrated to generate a general superstructure that accounts for all types of chemicals that can be produced using microorganisms. Here we further develop a superstructure reduction method to solve specific instances, based on product attributes, technology availability, case-specific considerations, and final product stream specifications. A general optimization model, including short-cut models for all technologies, is formulated. The proposed framework enables preliminary synthesis and analysis of bio-separation networks, and thus estimation of separation costs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Sequential separation of battery electrode materials and metal foils in aqueous media

To recycle high-value lithium-ion battery components, it is imperative to efficiently separate electrode materials from current collector foils and to separate cathodes from anodes. This study investigates the delamination behaviors of cathodes and anodes from their respective current collectors in aqueous media. Whereas anode films can easily detach from copper foils in water, the delamination of cathode films does not exhibit the same behavior in water; instead, the cation exchange reaction results in lithium leaching and aluminum corrosion in the presence of water. Here, a buffer solution with surfactant additives has been designed to prevent aluminum corrosion and to improve solution wetting behavior, thereby facilitating cathode delamination. The delamination difference enables the sequential recovery of electrode materials and metal foils at different separation stages, simplifying the traditionally intricate processes within a one-pot recovery system. The recovered materials retain their crystal structure and morphology, and there are no signs of aluminum corrosion or residues on the metal foils. The sequential separation technique achieves nearly 100% separation efficiency for electrode materials from metal foils and over 98% separation efficiency for cathode and anode materials.

25 ENERGY STORAGE↗
DOE OSTI2017

Activation energy and carriers dynamics of multilayer CdTe/ZnTe quantum dots with different ZnTe separation layer thicknesses

We studied the optical properties of multilayer CdTe/ZnTe quantum dots (QDs) with various ZnTe separation layer thicknesses on GaAs substrates. The low temperature photoluminescence (PL) spectra show that the excitonic peaks in multilayer CdTe/ZnTe QDs shift to higher energy levels, and PL peak intensities increase with increasing ZnTe separation layer thickness. This is because of increasing uncoupling and because there are many more carriers confined in the QDs with wider separation layers. Temperature-dependent PL measurements showed that the activation energies of the confined electrons in the multilayer CdTe/ZnTe QDs decreases with decreasing ZnTe separation layer thickness. The time-resolved PL spectra show increasing carrier decay times with decreasing ZnTe separation layer thickness, due to increasing coupling between QDs with narrower separation layers.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Hollow spherical Lanthanum oxide coated separator for high electrochemical performance lithium-sulfur batteries

Highlights: • Hollow spherical La{sub 2}O{sub 3} was fabricated by a spray dryer. • Hollow spherical La{sub 2}O{sub 3} was coated on the routine separator and equipped in Li-S battery. • La{sub 2}O{sub 3} coated layer can effectively trap lithium polysulfides and accelerate the electrochemical kinetics of the redox reactions. - Abstract: In order to alleviate the shuttle effects of lithium polysulfides (LiPSs) in Lithium sulfur batteries. Lanthanum oxide (La{sub 2}O{sub 3}) with a hollow spherical structure was synthesized by a spray dryer and coated on the routine separator evenly as the main coating material to trap LiPSs and accelerate the electrochemical kinetics of the redox reactions.CV tests and EIS analysis demonstrate that Li-S battery equipped with this modified separator shows higher discharge potential and faster electrochemical reaction in comparison with the routine separator and super P coated separator samples. Charge/discharge measurements at different current densities show that Li-S cell with the hollow spherical La{sub 2}O{sub 3} coated separator can deliver an initial capacity of 966 mA hg{sup −1} at 1C and maintains a discharge capacity of 720 mA hg{sup −1} after 200 cycles. Besides, it presents a high discharge capacity of 820 mA hg{sup −1} at 2C which demonstrates a promising rate performance.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Balance on the charge generation, separation and transfer performance of different TiO{sub 2} nanostructures in quantum dot sensitized solar cells

Graphical abstract: QDSSCs with different structure: (a) J-V curves, (b) TRPL spectra. - Highlights: • Charge generation, separation and transfer performance have been balanced by different structures. • Excellent charge separation and transfer performance have been exhibited for nano-array structure. • Nanotube array structure relative better charge generation, excellent charge separation and transfer performance of QDSSCs. - Abstract: TiO{sub 2} nanoparticle and nano-array structures including nanorods, nanowires and nanotubes are prepared for the photo-electrodes of CuInS{sub 2} quantum dot sensitized solar cells, which are investigated the balance on charge generation, separation and transfer performance in solar cells. The optical absorption properties and PL spectra of different photo-electrodes are investigated, which indicates better charge generation property for nanoparticle structure and better charge separation property for nano-arrays structure. With the grain boundary of nanoparticle films and excellent charge transfer performance of nano-arrays films, higher short-circuit current density value has been performed for all the nano-array structure based solar cells. Due to the relative large surface area of three nano-arrays structure for charge generation, excellent charge separation and transfer performance, the TiO{sub 2} nanotube based CuInS{sub 2} quantum dot sensitized solar cells exhibits greater photovoltaic efficiency than other nanostructures, which can support the progress for further photovoltaic performance enhancement on quantum dot sensitized solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Separation characteristics of cations and natural organic matter in electrodialysis

Natural organic matter (NOM) in water can cause the formation of disinfection byproducts (DBPs) when NOM reacts with a disinfectant such as chlorine. Nanofiltration (NF) and reverse osmosis (RO) are effective treatment methods to remove NOM. However, the simultaneous presence of both NOM and divalent cations such as Ca 2+ can enhance fouling in NF and RO. Therefore, an appropriate pretreatment to remove such cations before NF or RO would delay fouling and perhaps improve water recovery and NOM removal efficiency. Electrodialysis (ED) is potentially an excellent pretreatment method because it separates inorganic ions well using ion exchange membranes (IEMs) but does not separate NOM well because of its size and consequent low diffusivity. This research focused on ion and NOM separation with ED using three different types of commercially available IEM pairs, two different commercially available NOM sources, and six different influents at 500 mg/L total dissolved solids in the presence or absence of both hardness (Ca 2+ and Mg 2+ ) and NOM. The target waters of interest in this research were drinking water supplies that require little or no desalination but substantial removal of NOM; after NOM separation in NF or RO, some or all of the ED concentrate can be added to the NF/RO permeate to create the finished water prior to disinfection. The results indicate that ED can effectively separate alkaline earth metal ions without separation of NOM. Cation exchange membranes with high exchange capacity, high selectivity for divalent cations are desirable, and both anion and cation exchange membranes should have low affinity for organic adsorption. As a result, the process would work particularly well for NOM with relatively low hydrophobicity, since NOM adsorption to most surfaces increases with hydrophobicity.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Numerical investigation of the role of free-stream turbulence in boundary-layer separation

The aerodynamic performance of lifting surfaces operating at low Reynolds number conditions is impaired by laminar separation. In most cases, transition to turbulence occurs in the separated shear layer as a result of a series of strong hydrodynamic instability mechanisms. Although the understanding of these mechanisms has been significantly advanced over the past decades, key questions remain unanswered about the influence of external factors such as free-stream turbulence (FST) and others on transition and separation. The present study is driven by the need for more accurate predictions of separation and transition phenomena in ‘real world’ applications, where elevated levels of FST can play a significant role (e.g. turbomachinery). Numerical investigations have become an integral part in the effort to enhance our understanding of the intricate interactions between separation and transition. Due to the development of advanced numerical methods and the increase in the performance of supercomputers with parallel architecture, it has become feasible for low Reynolds number application ( $O(10^{5})$ ) to carry out direct numerical simulations (DNS) such that all relevant spatial and temporal scales are resolved without the use of turbulence modelling. Because the employed high-order accurate DNS are characterized by very low levels of background noise, they lend themselves to transition research where the amplification of small disturbances, sometimes even growing from numerical round-off, can be examined in great detail. When comparing results from DNS and experiment, however, it is beneficial, if not necessary, to increase the background disturbance levels in the DNS to levels that are typical for the experiment. For the current work, a numerical model that emulates a realistic free-stream turbulent environment was adapted and implemented into an existing Navier–Stokes code based on a vorticity–velocity formulation. The role FST plays in the transition process was then investigated for a laminar separation bubble forming on a flat plate. FST was shown to cause the formation of the well-known Klebanoff mode that is represented by streamwise-elongated streaks inside the boundary layer. Increasing the FST levels led to accelerated transition, a reduction in bubble size and better agreement with the experiments. Moreover, the stage of linear disturbance growth due to the inviscid shear-layer instability was found to not be ‘bypassed’.

Mechanics↗
DOE OSTI2024

Fiber Sorbents – A Versatile Platform for Sorption-Based Gas Separations

Increasing demand for high-purity fine chemicals and a drive for process intensification of large-scale separations have driven significant work on the development of highly engineered porous materials with promise for sorption-based separations. While sorptive separations in porous materials offer energy-efficient alternatives to longstanding thermal-based methods, the particulate nature of many of these sorbents has sometimes limited their large-scale deployment in high-throughput applications such as gas separations, for which the necessary high feed flow rates and gas velocities accrue prohibitive operational costs. These processability limitations have been historically addressed through powder shaping methods aimed at the fabrication of structured sorbent contactors based on pellets, beads or monoliths, commonly obtained as extrudates. These structures overcome limitations such as elevated pressure drops commonly recorded across powder adsorption beds but often accrue thermal limitations arising from elevated particle density and aggregation, which ultimately cap their maximum separation performance. Furthermore, the harsh mechanical strain to which powder particles are subjected during contactor fabrication, in the form of extrusion/compression forces, can result in partial pore occlusion and framework degradation, further limiting their performance. Here, we present the development of porous fiber sorbents as an alternative sorbent contactor design capable of addressing sorbent processability limitations while enabling an array of performance-maximizing heat integration capabilities. This new sorbent form factor leverages pre-existing know-how from hollow fiber spinning to produce fiber-shaped sorbent contactors through the phase inversion of known polymers in a process known as dry-jet/wet quenching. The process of phase inversion allows microporous sorbent particles to be latched onto a macroporous polymer matrix under mild processing conditions, thus making it compatible with soft porous materials prone to amorphization under traditional pelletization conditions. Sorbent fibers can be created with different geometries through control of the spinning apparatus and process, offering the possibility to produce monolithic and hollow fibers alike, the latter of which can be integrated with thermalization fluid flows. In this Account, we summarize our progress in the field of fiber sorbents from both design and application standpoints. We further guide the reader through the evolution of this field from the early inceptive work on zeolite hollow fibers to recent developments on MOF fibers. We highlight the versatile nature of fiber sorbents, both from the composition, fabrication and structure points of view, and further demonstrate how fiber sorbents offer alternative paths in tackling new and challenging chemical separation challenges like direct air capture (DAC), with a final perspective on the future of the field.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Improved Sensitivity and Separations for Phosphopeptides using Online Liquid Chromotography Coupled with Structures for Lossless Ion Manipulations Ion Mobility–Mass Spectrometry

Phosphoproteomics greatly augments proteomics and holds tremendous potential for insights into the modulation of biological systems for various disease states, etc. However, numerous challenges hinder conventional methods in terms of measurement sensitivity, throughput, and capabilities for confident phosphopeptide and phosphosite identification. In this work, we report the first example of integrating structures for lossless ion manipulations ion mobility (SLIM) IM-MS with online reversed-phase liquid chromatography (LC) to evaluate its potential for addressing the aforementioned challenges. A mixture of 51 heavy-labeled phosphopeptides was analyzed with a SLIM IM module having integrated ion accumulation and long-path separation regions. The SLIM IM-MS provided improved sensitivity over an established LC-SRM method, with limits of detection as low as 50 pM (50 amol/µl) for several peptides. Conventionally problematic phosphopeptide isomers could be resolved following an 18 m SLIM IM separation. The 2-D peak capacity was estimated as ~9000 for 90 min LC separation coupled to an 18 m SLIM IM separation, considerably higher than LC alone and providing a basis for both improved identification and quantification, with additional gains projected with the future use of longer path SLIM IM separations. Thus, LC-SLIM IM-MS offers great potential for improving the sensitivity, separation, and throughput of phosphoproteomics analyses.

Chouinard, Christopher D.↗
DOE OSTI2019

SLIM Ultrahigh Resolution Ion Mobility Spectrometry Separations of Isotopologues and Isotopomers Reveal Mobility Shifts due to Mass Distribution Changes

We report on separations of ion isotopologues and isotopomers using ultrahigh-resolution traveling wave-based Structures for Lossless Ion Manipulations with serpentine ultralong path and extended routing ion mobility spectrometry coupled to mass spectrometry (SLIM SUPER IMS-MS). Mobility separations of ions from the naturally occurring ion isotopic envelopes (e.g., [M], [M+1], [M+2]…ions) showed the first and second isotopic peaks (i.e. [M+1] and [M+2]) for various tetraalkylammonium ions could be resolved from their respective monoisotopic ion peak ([M]) after SLIM SUPER IMS with resolving powers of ~400-600. Similar separations were obtained for other compounds (e.g., tetrapeptide ions). Greater separation was obtained using argon versus helium drift gas, as expected from the greater reduced mass contribution to ion mobility described by the Mason-Schamp relationship. To more directly explore the role of isotopic substitutions, we studied a mixture of specific isotopically substituted (15N, 13C, and 2H) protonated arginine isotopologues. While the separations in nitrogen were primarily due to their reduced mass differences, similar to the naturally occurring isotopologues, their separations in helium, where higher resolving powers could also be achieved, revealed distinct additional relative mobility shifts. These shifts appeared correlated, after correction for the reduced mass contribution, with changes in the ion center of mass due to the different locations of heavy atom substitutions. The origin of these apparent mass distribution- induced mobility shifts was then further explored using a mixture of Iodoacetyl Tandem Mass Tag (iodoTMT) isotopomers (i.e. each having the same exact mass, but with different isotopic substitution sites). Again, the observed mobility shifts appeared correlated with changes in the ion center of mass leading to multiple monoisotopic mobilities being observed for some isotopomers (up to a ~0.04% difference in mobility). These mobility shifts thus appear to reflect details of the ion structure, derived from the changes due to ion rotation impacting collision frequency or momentum transfer, and highlight the potential for new approaches for ion structural characterization.

Isotopologues, isotopomers, SLIM, Ion Mobility Spe↗
DOE OSTI2017

Zeolitic Imidazolate Framework-8 (ZIF-8) Membranes for Kr/Xe Separation

Herein, we demonstrate that a prototypical type of metal organic framework, zeolitic imidazolate framework-8 (ZIF-8), in membrane form, can effectively separate Kr/Xe gas mixtures at industrially relevant compositions. The best membranes separated Kr/Xe mixtures with average Kr permeances as high as 1.5 × 10 -8 ± 0.2 mol/m 2 s Pa and average separation selectivities of 14.2 ± 1.9 for molar feed compositions corresponding to Kr/Xe ratio encountered typically in air. Molecular sieving, competitive adsorption, and differences in diffusivities were identified as the prevailing separation mechanisms. These membranes potentially represent a less-energy-intensive alternative to cryogenic distillation, which is the benchmark technology used to separate this challenging gas mixture. To our best knowledge, this is the first example of any metal organic membrane composition displaying separation ability for Kr/Xe gas mixtures.

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

Highly Permeable AlPO-18 Membranes for N 2 /CH 4 Separation

Herein we demonstrate that AlPO-18 membranes can separate N2/CH4 gas mixtures at unprecedented N2 permeances. The best membranes separated N2/CH4 mixtures with N2 permeances as high as 3076 GPU and separation selectivities as high as 4.6. Gas mixture separation data, N2 and CH4 adsorption isotherms, ideal adsorbed solution theory (IAST), and breakthrough experiments were collected to understand the separation mechanisms. Competitive adsorption and differences in diffusivities were identified as the prevailing separation mechanisms. Differences in diffusivity played a more dominant role than the competitive adsorption, and led to nitrogen selective membranes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Solvent Selection for the Separation of Lignin-Derived Monomers Using the Conductor-like Screening Model for Real Solvents

The separation of desired monomers from a liquid-phase mixture of lignin depolymerization products is necessary to facilitate their upscaling and upgrading for industrial applications. One effective method to separate multiple liquid-phase products is countercurrent chromatography (CCC), which is a common liquid chromatography technique that separates target solutes based on differences in their partitioning in a biphasic solvent system. Effective CCC separation requires the selection of solvent compositions to tune solute partition coefficients. Here, to alleviate the experimental burden of selecting optimal solvent systems, we apply the conductor-like screening model for real solvents (COSMO-RS) method to compute partition coefficients of representative lignin monomers from four currently used depolymerization strategies in standard solvent systems. We further design new ternary and quaternary solvent systems that are predicted to further improve separation efficacy. On the basis of these predicted partition coefficients and empirical solvent selection criteria for CCC measurements, we suggest a range of solvent systems that would be suitable for the effective separation of aromatic lignin-derived products via CCC or similar liquid–liquid extraction methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Group Hexavalent Actinide Separations: A New Approach to Used Nuclear Fuel Recycling

Hexavalent Np, Pu, and Am individually, and as a group, have all been cocrystallized with UO 2 (NO 3 ) 2 ∙ 6H 2 O, constituting the first demonstration of an An(VI) group cocrystalliza- tion. The hexavalent dioxo cations of Np, Pu, and Am cocrystallize with UO 2 (NO 3 ) 2 ∙ 6H 2 O in near proportion with a simple reduction in temperature, while the lower valence states, An(III) and An(IV), are only slightly removed from solution. A separation of An(VI) species from An(III) ions by crystallization has been demonstrated, with an observed separation factor of 14. Separation of An(VI) species from key fission products, 95 Zr, 95 Nb, 137 Cs, and 144 Ce, has also been demonstrated by crystallization, with separation factors ranging from 6.5 to 71 in the absence of Am(VI), while in the presence of Am(VI), the separation factors were reduced to 0.99 7.7. One interesting observation is that Am(VI) shows increased stability in the cocrystallized form, with no reduction observed after 13 days, as opposed to in solution, in which >50% is reduced after only 10 days. The ability to cocrystallize and stabilize hexavalent actinides from solution, especially Am(VI), introduces a new separations approach that can be applied to closing the nuclear fuel cycle.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Single-Molecule Fluorescence Investigations of Solute Transport Dynamics in Nanostructured Membrane Separation Materials

Many materials used for membrane separations comprise of nanoscale structures such as pores and domains. Such nanostructures often control the solute permeability and selectivity of separation membranes. Thus, for future development of highly efficient separation membranes, it is important to understand the structural and chemical properties of these nanostructures, and also their influences on solute transport dynamics. For the last two decades, single-molecule fluorescence techniques have been used to measure the detailed dynamics of solute molecules diffusing in various nanostructured materials, giving valuable insights into molecular transport mechanisms influenced by nanoscale material heterogeneity. This Perspective will discuss recent single-molecule fluorescence studies on solute diffusion in materials relevant to membrane separations, including dense polymer films and nanoporous materials. These studies have revealed the formation and properties of nanostructures, and unique transport dynamics of solute molecules manipulated by their confinement and partitioning to the nanostructures, which play key roles in membrane separations. Furthermore, this Perspective will also point out scientific challenges toward thorough understanding of molecular-level mechanisms in membrane separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Flexible MOFs as Pressure-Tunable Filters for Hydrocarbon Separation

Metal–organic frameworks (MOFs) hold significant promise for separating gas mixtures, especially hydrocarbons. While the main focus in the field is the development of new adsorbents for specific separations of binary mixtures, a preferable situation would be using a single framework for separating various species. This has been achieved in some flexible MOFs, where ternary mixtures can be separated at different temperatures. Here, we propose a simple yet fascinating way of utilizing the flexibility of MOFs to create tunable filters as a function of external pressure. We thus replace the more costly temperature-driven tunability with a cost-efficient external-pressure tunability. As a proof-of-concept, we select the CaMOF flexible framework for C6 hydrocarbon separation, however, our results are applicable to other flexible framework and gas molecules. Furthermore, our findings provide mechanistic insight and guidelines to engineer separation filters by designing flexible pores with critical sizes that can be effectively manipulated by external pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Significance of a Solid Electrolyte Interphase on Separation of Anode and Cathode Materials from Spent Li-Ion Batteries by Froth Flotation

The separation of electrode active materials from spent Li-ion batteries (LIBs) by froth flotation is challenging due to the changes in surface properties of electrode active materials from cycling as well as the presence of organic binders. In this work, the froth flotation separation of aged anode and cathode composite materials from spent LIBs was systematically investigated after the materials were heat treated. The results show that aged anode and cathode materials from spent LIBs can be well separated from each other after a heating process in air at 400 degrees C and at which some of the PVDF binder remains intact. The underlying mechanism was investigated by X-ray photoelectron spectroscopy (XPS), contact angle measurements, and scanning transmission electron microscopy (STEM) coupled with energy-dispersive X-ray spectroscopy (EDX). The results from the XPS and contact angle measurements show that there is a hydrophilic and oxygen-rich layer on the surface of aged anode materials. This hydrophilic surface, associated with the solid electrolyte interface (SEI) layer, impacts the froth flotation process significantly. The results also show that both the SEI layers and PVDF binder residues on the surface are removed at 400 degrees C for an hour, restoring the hydrophobicity of the anode materials, which, in turn, benefits the separation of anode and cathode materials. The STEM/EDX elemental analysis data confirms that there are 20 nm-thick oxygen-rich SEI layers on the surfaces, which can be removed after a heating process. The present result illustrates the significance of the SEI layers in flotation separation of electrode materials and sheds new lights into the future development of the recycling processes for the separation of anode and cathode composite materials from spent Li-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2012

Characterization of Physically and Chemically Separated Athabasca Asphaltenes Using Small-Angle X-ray Scattering

Athabasca asphaltenes were characterized using small-angle X-ray scattering (SAXS). Two methods were used to separate asphaltenes from the Athabasca bitumen: namely, chemical separation by precipitation with n-pentane and physical separation by nanofiltration using a zirconia membrane with a 20 nm average pore size. The permeate and chemically separated samples were diluted in 1-methylnaphtalene and n-dodecane prior to SAXS measurements. The temperature and asphaltene concentration ranges were 50-310 C and 1-10.4 wt %, respectively. Model-independent analysis of SAXS data provided the radius of gyration and the scattering coefficients. Model-dependent fits provided size distributions for asphaltenes assuming that they are dense and spherical. Model-independent analysis for physically and chemically separated asphaltenes showed significant differences in nominal size and structure, and the temperature dependence of structural properties. The results challenge the merits of using chemically separated asphaltene properties as a basis for asphaltene property prediction in hydrocarbon resources. While the residuals for model-dependent fits are small, the results are inconsistent with the structural parameters obtained from model-independent analysis.

36 MATERIALS SCIENCE↗