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A new 3 He-driven IGISOL production station and mass separator have been designed to produce neutron-deficient low-mass iso-topes at the Cyclotron Institute for the TAMUTRAP facility. Finally, the LSTAR design has a mass resolution M/ΔM ≥ 3,000 to reject contaminants with > 95% efficiency.
Critical metals are currently extracted by mining followed by their purification. These processes are costly and not environmentally very desirable. In this perspective paper we discuss the potential of extracting these critical metals from a range waste-streams available in abundance globally. These waste streams include brine from desalination plants, effluents from oil drilling and hydraulic fracturing, as well as discharges from various industrial processes such as metal finishing, electroplating, mining, and chemical manufacturing. We show that with a range of new separation processes being developed their separation is showing potential of being both technologically and economically feasible. We also show how high performance computing can be combined with computational models to screen and accelerate the development of new technologies for extracting critical metals from waste streams.
Abstract. Ultrafine aerosol particles with sizes smaller than 50 nm have been shown in recent studies to serve as a large source of cloud condensation nuclei that can promote additional cloud droplet formation under supersaturation conditions. Knowledge of the microphysics of liquid water in these droplets remains limited, particularly in the sub-10 nm particle size range, due to experimental and theoretical challenges associated with the complexity of aerosol components and the small length scales of interest (e.g., difficulty of precisely sampling the liquid–air interface, questionable validity of mean-field theoretical representations). Here, we carried out molecular dynamics (MD) simulations of aerosol particles with diameters between 1 and 10 nm and characterized atomistic-level structure and water dynamics in well-mixed and phase-separated systems with different particle sizes, NaCl salinities, and pimelic acid (PML) organic surface loadings as a function of distance from the time-averaged Gibbs dividing interface or instantaneous water–air interface. We define a sphericity factor (ϕ) that can shed light on the phase-mixing state of nanodroplets, and we reveal an unexpected dependence of mixing state on droplet size. Our results also evidence an ion concentration enhancement in ultrafine aerosols, which should modulate salt nucleation kinetics in sub-10 nm droplets, and provide detailed characterization of the influence of droplet size on surface tension and on water self-diffusivity near the interface. Analysis of water evaporation free energy and water activity demonstrates the validity of the Kelvin equation and Köhler theory at droplet sizes larger than 4 nm under moderate salinities and organic loadings and the need for further extension to account for ion concentration enhancement in sub-10 nm aerosols, droplet-size-dependent phase separation effects, and a sharp decrease in the cohesiveness of liquid water in sub-4 nm droplets. Finally, we show that an idealized fractional surface coating factor (fs) can be used to categorize and reconcile water accommodation coefficients (α*) observed in MD simulations and experimental results in the presence of organic coatings, and we resolve the droplet size dependence of α*.
Polyvinylidene fluoride (PVDF) dual-layer hollow fiber membranes were simultaneously fabricated by thermally induced phase separation (TIPS) and non-solvent induced phase separation (NIPS) methods using a triple orifice spinneret (TOS) for water treatment application. The support layer was prepared from a TIPS dope solution, which was composed of PVDF, gamma-butyrolactone (GBL), and N-methyl-2-pyrrolidone (NMP). The coating layer was prepared from a NIPS dope solution, which was composed of PVDF, N,N-dimethylacetamide (DMAc), and polyvinylpyrrolidone (PVP). In order to improve the mechanical strength of the dual-layer hollow fiber, a nucleating agent, sodium 2,2'-methylene bis-(4,6-di-tert-butylphenyl) phosphate (NA11), was added to the TIPS dope solution. The performance of the membrane was evaluated by surface and cross-sectional morphology, water flux, mechanical strength, and thermal property. Our results demonstrate that NA11 improved the mechanical strength of the PVDF dual-layer hollow fiber membranes by up to 42%. In addition, the thickness of the coating layer affected the porosity of the membrane and mechanical performance to have high durability in enduring harsh processing conditions.
Spatial patterns of hydrologic response were examined for the Northwest Volcanic Aquifer Study Area (NVASA). The utility of established hydrograph-separation methods for assessing hydrologic response in permeable volcanic terranes was assessed and a new three-component metric for hydrograph analysis was developed. The new metric, which partitions streamflow into subcomponents defined by the timescales of hydrologic response (e.g., fast-runoff, intermediate-interflow and slow-baseflow), was used to gain a fundamental understanding of the regional hydrology, investigate sub-regional differences, influencing factors, and ecohydrological implications. The combined effects of NVASA’s physiography, climate and geology create a strongly coupled surface-groundwater system that produces copious baseflow and limited quantities of runoff and interflow. Patterns of hydrologic response are influenced by the type and rate of precipitation and permeability of the underlying geology. Under variable precipitation conditions the hydrologic response of volcanic terranes with similar permeability and subsurface-storage capacity can be significantly different. From a water management and ecohydrology perspective, understanding regional patterns of hydrologic response and sub-regional differences is fundamental. Results indicate that minimum-flow methods provide the most conservative estimate of baseflow and may be the most robust for filtering out snowmelt bias in baseflow estimates. Baseflow contributes ~75% of the perennial streamflow across the NVASA and represents a critical component of the regional water supply that provides critical cold-water habitat.
A series of covalent organic frameworks substituted with azo groups (AzoCOFs) have been synthesized via imine condensation. The obtained frameworks show crystallinity and high stability. More importantly, the AzoCOFs exhibit exceptionally high ideal adsorption solution theory (IAST) selectivity in adsorption of C 2 H 2 (35–2891) over CH 4 at 273 K and 1 bar, owing to the favorable interactions between azo groups and acetylene molecules. The dependence of the gas adsorption property on pore size and polarity of the frameworks was also studied. Here, the triethylene glycol substituted Tg-AzoCOF shows the highest C 2 H 2 /CH 4 selectivity (IAST selectivity of 2891), which represents the highest reported for all porous materials. The AzoCOFs also exhibit high IAST adsorption selectivity of C 2 H 4 /CH 4 (11–20), C 2 H 6 /CH 4 (15–22), and CO 2 /CH 4 (12–37), which is comparable with most porous materials, thus showing their great potential in gas separation applications.
This work introduces a series of vinyl-imidazolium-based polyelectrolyte composites, which were structurally modified via impregnation with multivalent imidazolium-benzene ionic liquids (ILs) or crosslinked with novel cationic crosslinkers which possess internal imidazolium cations and vinylimidazolium cations at the periphery. A set of eight [C4vim][Tf2N]-based membranes were prepared via UV-initiated free radical polymerization, including four composites containing di-, tri-, tetra-, and hexa-imidazolium benzene ILs and four crosslinked derivatives which utilized tri- and tetra- vinylimidazolium benzene crosslinking agents. Structural and functional characterizations were performed, and pure gas permeation data were collected to better understand the effects of “free” ILs dispersed in the polymeric matrix versus integrated ionic crosslinks on the transport behaviors of these thin films. These imidazolium PIL:IL composites exhibited moderately high CO2 permeabilities (~20–40 Barrer), a 4–7× increase relative to corresponding neat PIL, with excellent selectivities against N2 or CH4. The addition of imidazolium-benzene fillers with increased imidazolium content were shown to correspondingly enhance CO2 solubility (di- < tri- < tetra- < hexa-), with the [C4vim][Tf2N]: [Hexa(Im+)Benz ][Tf2N] composite showing the highest CO2 permeability (PCO2 = 38.4 Barrer), while maintaining modest selectivities (αCO2/CH4 = 20.2, αCO2/N2 = 23.6). Additionally, these metrics were similarly improved with the integration of more ionic content bonded to the polymeric matrix; increased PCO2 with increased wt% of the tri- and tetra-vinylimidazolium benzene crosslinking agent was observed. This study demonstrates the intriguing interactions and effects of ionic additives or crosslinkers within a PIL matrix, revealing the potential for the tuning of the properties and transport behaviors of ionic polymers using ionic liquid-inspired small molecules.
Researchers at Los Alamos have extensive capabilities in design, testing and optimization of: (1) new capture materials based on membrane separation, amine and other solvent and sorbent separation, and porous materials; (2) biological capture methods, particularly algae and plants; (3) full-scale systems using science-based virtual learning; and (4) system performance under specific meteorological conditions, impacts of CO2 capture via atmospheric data and simulations, and availability of energy and storage capacity. The goal for Los Alamos is advancing our physical technologies and engineered systems approaches from the development phase to a minimal viable product in the energy sector for commercial purposes. Los Alamos is seeking strategic commercialization partners to work with us in advancing these capabilities and technologies for commercial viability.
This report documents the data sources and methods used to develop the energy life cycle data for use by the National Institute of Standards and Technology (NIST) Engineering Laboratory (EL) to be used for the development of measurement science and incorporation into decision-support tools for evaluating building and facility capital investments. The data are posted separately under DOI 10.18141/2575194.
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The Contemporaneous LEnsing Parallax and Autonomous TRansient Array (CLEoPATRA) is a mis sion concept for a space-based microlensing survey, proposed to enhance science for the Roman Space Telescope (RST) microlensing survey. From CLEoPATRA’s planned vantage point in geosynchronous equatorial orbit (GEO), it will observe microlensing events simultaneously and from a different point of view to RST at L2. This joint L2-GEO observation baseline gives a projected angular separation of order the size of the characteristic angular lensing scale of Free-Floating-Planets (FFPs) in the Galaxy, making it powerful for constraining FFP properties. We find that a strong science case will demonstrate which parts of the FFP parameter space a joint RST-CLEoPATRA survey will give lead ing lens constraints compared with competing ground- and space- based RST observatory companions (e.g., PRIME, Euclid). Both the simulations and framework that connect telescope capabilities to physical constraints already exist for RST FFPs and can be used to demonstrate the power of joint RST-CLEoPATRA survey, with the addition of a simulated CLEoPATRA event blending distribution. Population-level FFP constraints could also be calculated by adapting ongoing black hole microlensing research at Lawrence Livermore National Laboratory. We also find that considering CLEoPATRA as a third space-based observatory (in addition to RST and Euclid/PRIME), which will break microlensing degeneracies leading to unambiguous FFP constraints, is worth investigating as part of a science case. Finally, we highlight possible auxiliary CLEoPATRA science cases including relieving tension between the RST Core Community Surveys.
Forming an ideal bulk heterojunction (BHJ) morphology is a critical issue governing the photon to electron process in organic solar cells (OSCs). Complementary to the widely-used blend casting (BC) method for BHJ construction, sequential casting (SC) can also enable similar or even better morphology and device performance for OSCs. Here, BC and SC methods on three representative donor:acceptor (D:A) blends are utilized, that is, PM6:PC 71 BM, PM6:IT-4F and PM6:L8-BO. Higher power conversion efficiencies (PCEs) in all cases by taking advantage of beneficial morphology from SC processing are achieved, and a champion PCE of 18.86% (certified as 18.44%) based on the PM6:L8-BO blend is reached, representing the record value among binary OSCs. The observations on phase separation and vertical distribution inspire the proposal of the swelling–intercalation phase-separation model to interpret the morphology evolution during SC processing. Further, the vertical phase segregation is found to deliver an improvement of device performance via affecting the charge transport and collection processes, as evidenced by the D:A-ratio-dependent photovoltaic properties. Besides, OSCs based on SC processing show advantages on device photostability and upscale fabrication. Finally, this work demonstrates the versatility and efficacy of the SC method for BHJ-based OSCs.
Amine-containing mixed-matrix membranes incorporated with amino-functionalized multi-walled carbon nanotubes (AF-MWNTs) were synthesized for CO2/H2 separation based on the facilitated transport mechanism. AF-MWNTs were chosen primarily as the mechanical reinforcing filler to enhance the membrane stability. At 107 °C and 0.2-MPa feed pressure, the membrane incorporated with 10 wt.% AF-MWNTs showed a CO2 permeability of 3196 Barrers and a CO2/H2 selectivity of 205. At the higher feed pressure of 1.5 MPa, owing to the carrier saturation phenomenon, the same membrane exhibited reduced transport performance with a CO2 permeability of 776 Barrers and a CO2/H2 selectivity of 31. These separation performances at both the low and high feed pressures were well above the theoretical upper bound. Furthermore, the incorporation of 10 wt.% AF-MWNTs led to a significant improvement on membrane stability. The transport performance and selective layer thickness of this membrane maintained for 100 h, which suggested that the incorporation of AF-MWNTs improved the resistance to membrane compaction upon a high feed pressure. Therefore, this work is considered as one of the crucial steps to enable the application of facilitated transport membranes to high-pressure gas processing such as syngas purification.
We present a computational study of the electronic structure of excitons in hematite Fe 2 O 3 using density functional theory (DFT) and time-dependent DFT theory. Excitons resulting from solar light absorption are precursors to photogenerated charge carriers, which are the active species in solar-to-fuel redox conversions. Upon vertical excitation, the lowest energy exciton is found to have a multideterminantal wave function, describing an electron excited from O 2p states to Fe 3d states of the nearest basal plane, possibly supporting a recent XUV-derived exciton structure with a radius of a single Fe–O bond. Subsequently, the exciton self-traps into stable electron–hole pair structures whose wave functions are well-approximated by single excitations conveniently labeled “HOMO–LUMO”. Self-trapping yields electron–hole pair structures whereby the electron state (electron polaron-like) is separated from the hole state (hole polaron-like) by 3, 5, 7, 9, ... basal planes in structures referred to as Exc-3, Exc-5, Exc-7, Exc-9, ... The natural transition orbitals (electron–hole states) exhibit a strong “localized” character. The hole state is best described as a (FeO 6 ) + octahedral moiety carrying ~0.65 h + charge, and overall ~70% of the hole is assigned to O 2p atomic states, mostly on the four (4) equatorial O atoms of the moiety. The electron state is best described as a (FeFe) – moiety carrying ~0.80 e – charge in Fe 3d atomic states. The lattice distortions around the hole site exhibit Fe–O bond shortening due to the removal of electron density from an orbital state with O–Fe–O antibonding character. The electron site shows Fe–Fe distance shortening due to excess electron density added to an orbital state with in-phase Fe–Fe interactions. Furthermore, these excitonic structures with increasing electron–hole separation can be viewed as the onset of exciton separation into isolated electrons and hole polarons.
In polar regions, blowing snow (BLSN) can play a substantial role in regional thermodynamics and radiation properties. The extent of the impact depends upon the depth of the BLSN layer, a property that is difficult to measure and not well understood. The West Antarctic Radiation Experiment (AWARE) Field Campaign saw the deployment of a large suite of observational instruments to McMurdo Station, Antarctica, allowing for in-depth investigation of BLSN. During the year of the campaign, BLSN occurred ~7.4% of the time. In this study, additional remote sensing observations are used to supplement an existing ceilometer-based BLSN characterization algorithm creating a multi-instrument (MI) depth estimation algorithm to yield layer depths with more certainty. Backscatter coefficient and linear depolarization ratios from the micropulse and high spectral resolution lidar (HSRL) are incorporated along with color ratio derived from HSRL backscatter and Ka-band radar reflectivity observations. This provided estimates of BLSN depth that were less impacted by noise/artifacts in any one set of observations. When applied to the data from AWARE, the MI algorithm yielded an average depth of 168.2 m with ~60% of plumes less than 200 m in depth. Events occurring with precipitation saw the most value in the additional instruments, with the suite of observations allowing for more separation of BLSN particles from fallstreaks.
Photosynthetic CO2 response curves (ACi curves), light response curves (AQ curves), dark adapted dark respiration, conductance curves, and survey measurements for leaves measured in the Parque Natural Metropolitano (PNM) and Gamboa, Panama, from January to April 2022 are presented. Measurements were made on leaves from 46 different tree, shrub and liana species, from sunlit canopy and understory locations. Leaf area index from 8 vertical profiles at PNM are also included. The aim of this measurement campaign was three-fold: (i) to improve our understanding of the vertical variation in leaf-level water use efficiency; (ii) to develop an understanding of the sensitivity of stomata to changes in environmental conditions, especially light, humidity, and temperature; (iii) to improve models which can predict leaf traits from leaf contact spectral measurements. All the gas exchange data and metadata are presented in .csv files and complete instrument output are included in .zip folders. Data and metadata meet the ESS-DIVE leaf-level gas exchange reporting format requirements. The protocol details are provided as pdf documents. In addition to gas exchange data reported here these samples were also used for measurement of leaf optical properties, carbon and nitrogen content, and leaf mass per unit leaf area (LMA). These data can be cross linked using the unique sample ID and are provided in separate data packages.
The thermodynamic behavior of aqueousorgame- toluene ternary systems where aqueous components are water (H 2 O) and deuterium oxide (D 2 O) and organic components are acetonitrile (MeCN), tetrahydrofuran (THF), and 1,4-dioxane (DIOX) have been recorded. Preliminary data has been taken for each ternary system to establish the concentration along the spinodal line where Gibbs energy is minimized. In pursuit of this goal, simple laboratory techniques using common equipment was used to benchmark thermodynamic measurements against values reported in the literature. The impact of deuterium on aqueous two-phase separations was determined for each combination of solvents.