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NASA NTRS2006

Dehydrating and Sterilizing Wastes Using Supercritical CO2

A relatively low-temperature process for dehydrating and sterilizing biohazardous wastes in an enclosed life-support system exploits (1) the superior mass-transport properties of supercritical fluids in general and (2) the demonstrated sterilizing property of supercritical CO2 in particular. The wastes to be treated are placed in a chamber. Liquid CO2, drawn from storage at a pressure of 850 psi (approx.=5.9 MPa) and temperature of 0 C, is compressed to pressure of 2 kpsi (approx.=14 MPa) and made to flow into the chamber. The compression raises the temperature to 10 C. The chamber and its contents are then further heated to 40 C, putting the CO2 into a supercritical state, in which it kills microorganisms in the chamber. Carrying dissolved water, the CO2 leaves the chamber through a back-pressure regulator, through which it is expanded back to the storage pressure. The expanded CO2 is refrigerated to extract the dissolved water as ice, and is then returned to the storage tank at 0 C

Brown, Ian J.↗

DOE OSTI2018

Investigation of Liquid Cloud Microphysical Properties of Deep Convective Systems: 2. Parameterization of Raindrop Size Distribution and its Application for Convective Rain Estimation

The liquid cloud microphysical properties for stratiform rain (SR) have been investigated in Part 1 of this series. Since convective rain (CR) has characteristics in raindrop size distribution (DSD) and precipitation that are distinct from SR, we investigate the CR properties in this study by using 20 hr of CR samples collected by 17 Automatic Parsivel Units disdrometers during the Midlatitude Continental Convective Clouds Experiment over the Atmospheric Radiation Measurement Southern Great Plains site. A full spectrum of DSD is constructed based on a total of 23 size channels (0.321 to 9.785 mm), and both Gamma and Exponential fitted functions are applied to extract the DSD shape parameters. Compared to SR properties, CR has distinct features including broader size range and narrower exponential slope parameter (λ E ). These results indicate that the assumption of constant exponential intercept parameter ( N 0E ) is inappropriate for CR rain rate estimates. Additionally, the subsetting scheme of the CR DSD spectra also has a strong impact on the Gamma/Exponential functions. Therefore, a new CR DSD parameterization scheme is developed by choosing the appropriate spectra subset with the constraint of rain rate and using the constant λ E instead of constant N 0E . With the input of the radar reflectivity at the lowest observed height, the newly calculated CR rain rates match well with the collocated surface rain gauge measurements (127 Mesonet stations and 17 Automatic Parsivel Units), while the rain rates calculated using traditional Z-R relationship are 3–4 times larger, indicating that constant λ E is a better assumption for CR DSD.

58 GEOSCIENCES↗

NASA NTRS2004

Isolation of Purines and Pyrimidines from the Murchison Meteorite Using Sublimation

The origin of life on Earth, and possibly on other planets such as Mars, would have required the presence of liquid water and a continuous supply of prebiotic organic compounds. The exogenous delivery of organic matter by asteroids, comets, and carbonaceous meteorites could have contributed to the early Earth s prebiotic inventory by seeding the planet with biologically important organic compounds. A wide variety of prebiotic organic compounds have previously been detected in the Murchison CM type carbonaceous chondrite including amino acids, purines and pyrimidines. These compounds dominate terrestrial biochemistry and are integral components of proteins, DNA and RNA. Several purines including adenine, guanine, hypoxanthine, and xanthine, as well as the pyrimidine uracil, have previously been detected in water or formic acid extracts of Murchison using ion-exclusion chromatography and ultraviolet spectroscopy. However, even after purification of these extracts, the accurate identification and quantification of nucleobases is difficult due to interfering UV absorbing compounds. In order to reduce these effects, we have developed an extraction technique using sublimation to isolate purines and pyrimidines from other non-volatile organic compounds in Murchison acid extracts.

Glavin, D. P.↗

DOE OSTI2015

Synthesis and Characterization of Tc(I) Carbonyl Nitrosyl Species Relevant to the Hanford Tank Waste: FY 2016 Status Report

Among long-lived radioactive constituents in the Hanford tank waste, Tc presents a unique challenge in that it exists predominantly in the liquid phase, generally in the anionic form of pertechnetate, TcO 4 - , which is highly volatile at low-activity waste (LAW) vitrification melter temperatures and mobile in the Hanford site’s subsurface environment. The complex behavior of Tc under storage, treatment, and immobilization conditions significantly affects its management options, which to-date remain uncertain. In strongly alkaline environments, Tc exists as pertechnetate, TcO 4 - (oxidation state +7), and in the reduced forms (oxidation state < +7) collectively known as non-pertechnetate species. Pertechnetate is a well-characterized, anionic Tc species that can be removed from LAW by anion exchange or solvent extraction methods. There is no definitive information on the origin of the non-pertechnetate Tc species, nor is there a comprehensive description of their composition and behavior. It has been recently proposed that the non-pertechnetate species can comprise Tc(I) metal center and carbonyl or mixed carbonyl nitrosyl ligands stabilizing low-valent Tc. Recent work by our group has significantly expanded this previous work, generating a series of Tc(I) carbonyl compounds and demonstrating that they can be generated from reduction of TcO 4 - in the simulated Hanford tank waste in presence of CO at elevated temperature (Levitskaia et al. 2014). These results are consistent with the previous proposal that [Tc(CO) 3 ] + species can be present in the Hanford tank waste and suggest that the low Tc(I) oxidation state is stabilized by the π-accepting ability of the CO ligands. The continuation work has been initiated to develop model Tc carbonyl nitrosyl compounds and investigate their potential presence in the Hanford tank wastes. This report summarizes our to-date results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Energy-efficient sorption-based gas clothes dryer systems

Standard electric resistance and fuel-driven dehydration technologies exhibit a maximum coefficient of performance of well below 1 mainly due to enthalpy losses associated with the air leaving the dehydration system. To improve energy efficiency, condensing dryer systems condense the moisture captured from a product in a closed-loop air circulation cycle. Existing condensing dehydration systems including heat pump dryers, however, need to significantly cool the air to achieve dehumidification. The added cooling and subsequent heating to return the air to a desired drying temperature consume substantial energy and thus reduce drying performance. Here, an innovative sorption-based gas dehydration system is proposed to overcome barriers deteriorating energy efficiency in existing gas, electric, or heat pump dryer systems. Decoupling latent and sensible loads, the system employs a liquid-desiccant solution to directly capture air humidity, thereby allowing circulation of the air in a closed loop to achieve high drying energy efficiency. In other words, the system captures waste latent heat from the moisture produced during the dehydration process and reuses it to improve energy efficiency. This study focuses on a comprehensive quasi-steady-state thermodynamic modeling of the proposed sorption-based dehydration concept employed for a gas clothes dryer application to predict transient response and overall drying performance (i.e., time and energy metrics). The analysis indicates the proposed sorption-based gas clothes dryer system can deliver a specific moisture extraction rate of 1.71 kg of water per kWh (i.e., a combined energy factor of 3.167 kg (6.98 lbm) of dry cloth per kWh) with a drying time of 44 min. This is a 112% energy improvement compared with state-of-the-art gas clothes dryers exhibiting a combined energy factor of 1.50 kg (3.3 lbm) of dry cloth per kWh. The technology pursued here can potentially be employed as a platform for many fuel-driven equipment to take advantage of available waste thermal energy in the environment instead of simply burning a fuel.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

On the analysis of signal peaks in pulse-height spectra

The estimation of the signal location and intensity of a peak in a pulse height spectrum is important for X- ray and γ-ray spectroscopy, charged-particle spectrometry, liquid chromatography, and many other subfields. However, both the ‘‘centroid’’ and ‘‘signal intensity’’ of a peak in a pulse-height spectrum are ill-defined quantities and different methods of analysis will yield different numerical results. Here, we apply three methods of analysis. Method A is based on simple count summation and is likely the technique most frequently applied in practice. The analysis is straightforward and fast, and does not involve any statistical modeling. We find that it provides reliable results only for high signal-to-noise data, but has severe limitations in all other cases. Method B employs a Bayesian model to extract signal counts and centroid from the measured total and background counts. The resulting values are derived from the respective posteriors and, therefore, have a rigorous statistical meaning. The method makes no assumptions about the peak shape. It yields reliable and relatively small centroid uncertainties. However, it provides relatively large signal count uncertainties. Method C makes a strong assumption regarding the peak shape by fitting a Gaussian function to the data. Furthermore, the fit is based again on a Bayesian model. Although Method C requires careful consideration of the Gaussian width (usually given by the detector resolution) used in the fitting, it provides reliable values and relatively small uncertainties both for the signal counts and the centroid.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2019

Spin waves and spin-state transitions in a ruthenate high-temperature antiferromagnet

Ruthenium compounds serve as a platform for fundamental concepts such as spin-triplet superconductivity, Kitaev spin liquids and solid-state analogues of the Higgs mode in particle physics. However, basic questions about the electronic structure of ruthenates remain unanswered, because several key parameters (including Hund’s coupling, spin–orbit coupling and exchange interactions) are comparable in magnitude and their interplay is poorly understood, partly due to difficulties in synthesizing large single crystals for spectroscopic experiments. Here we introduce a resonant inelastic X-ray scattering (RIXS) technique capable of probing collective modes in microcrystals of 4d electron materials. We observe spin waves and spin-state transitions in the honeycomb antiferromagnet SrRu 2 O 6 (ref. 10) and use the extracted exchange interactions and measured magnon gap to explain its high Néel temperature. We expect that the RIXS method presented here will enable momentum-resolved spectroscopy of a large class of 4d transition-metal compounds.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2019

Undergraduate education at the University of Kentucky accelerator laboratory

The University of Kentucky accelerator laboratory provides undergraduate students an opportunity to experience scientific research in nuclear physics. They are introduced to our research program, which focuses on the examination of basic nuclear properties using the 7 MV CN Van de Graaff accelerator and the time-of-flight facility to perform inelastic neutron scattering measurements with g-ray and neutron detection. Furthermore, students are given a series of projects to support the measurements including experimental equipment setup, kinematic calculations, data collection, experimental diagnostics, MCNP simulations, analysis code development, and preliminary analysis of the data. Undergraduate physics majors from the University of Dallas took part in (n,n'g) measurements for LiF. Neutron scattering cross sections for these nuclei, which are of significant interest in coolant designs for molten salt reactors, were determined for incident neutron energies between 0.8 and 4.5 MeV. By measuring the g-ray production cross sections and feeding contributions from higher-lying levels, students extracted the neutron level cross sections for Li and F. Additional (n,n'g) measurements for Li metal will be performed in the near future to supplement the g-ray data.

43 PARTICLE ACCELERATORS↗

NASA NTRS2004

Radio Sounding Techniques for the Galilean Icy Moons and their Jovian Magnetospheric Environment

Radio sounding of the Earth's topside ionosphere and magnetosphere is a proven technique from geospace missions such as the International Satellites for Ionospheric Studies (ISIS) and the Imager for Magnetopause-to-Aurora Global Exploration (IMAGE). Application of this technique to Jupiter's icy moons and the surrounding Jovian magnetosphere will provide unique remote sensing observations of the plasma and magnetic field environments and the subsurface conductivities, of Europa, Ganymede, and Callisto. Spatial structures of ionospheric plasma above the surfaces of the moons vary in response to magnetic-field perturbations from (1) magnetospheric plasma flows, (2) ionospheric currents from ionization of sputtered surface material, and (3) induced electric currents in salty subsurface oceans and from the plasma flows and ionospheric currents themselves. Radio sounding from 3 kHz to 10 MHz can provide the global electron densities necessary for the extraction of the oceanic current signals and supplements in-situ plasma and magnetic field measurements. While radio sounding requires high transmitter power for subsurface sounding, little power is needed to probe the electron density and magnetic field intensity near the spacecraft. For subsurface sounding, reflections occur at changes in the dielectric index, e.g., at the interfaces between two different phases of water or between water and soil. Variations in sub-surface conductivity of the icy moons can be investigated by radio sounding in the frequency range from 10 MHz to 50 MHz, allowing the determination of the presence of density and solid-liquid phase boundaries associated with oceans and related structures in overlying ice crusts. The detection of subsurface oceans underneath the icy crusts of the Jovian moons is one of the primary objectives of the Jupiter Icy Moons Orbiter (JIMO) mission. Preliminary modeling results show that return signals are clearly distinguishable be&een an ice crust with a thickness of 7 km on 1) an ocean and 2) a layer of bedrock. Knowledge of the ionospheric contributions to the time delay of the low-frequency subsurface radar is shown to be important in obtaining accurate depth information.

Green, James L.↗

NASA NTRS2005

The Second SeaWiFS HPLC Analysis Round-Robin Experiment (SeaHARRE-2)

Eight international laboratories specializing in the determination of marine pigment concentrations using high performance liquid chromatography (HPLC) were intercompared using in situ samples and a variety of laboratory standards. The field samples were collected primarily from eutrophic waters, although mesotrophic waters were also sampled to create a dynamic range in chlorophyll concentration spanning approximately two orders of magnitude (0.3 25.8 mg m-3). The intercomparisons were used to establish the following: a) the uncertainties in quantitating individual pigments and higher-order variables (sums, ratios, and indices); b) an evaluation of spectrophotometric versus HPLC uncertainties in the determination of total chlorophyll a; and c) the reduction in uncertainties as a result of applying quality assurance (QA) procedures associated with extraction, separation, injection, degradation, detection, calibration, and reporting (particularly limits of detection and quantitation). In addition, the remote sensing requirements for the in situ determination of total chlorophyll a were investigated to determine whether or not the average uncertainty for this measurement is being satisfied. The culmination of the activity was a validation of the round-robin methodology plus the development of the requirements for validating an individual HPLC method. The validation process includes the measurements required to initially demonstrate a pigment is validated, and the measurements that must be made during sample analysis to confirm a method remains validated. The so-called performance-based metrics developed here describe a set of thresholds for a variety of easily-measured parameters with a corresponding set of performance categories. The aggregate set of performance parameters and categories establish a) the overall performance capability of the method, and b) whether or not the capability is consistent with the required accuracy objectives.

Source record↗

DOE OSTI2017

Method of making ionic liquid mediated sol-gel sorbents

Ionic liquid (IL)-mediated sol-gel hybrid organic-inorganic materials present enormous potential for effective use in analytical microextraction. One obstacle to materializing this prospect arises from high viscosity of ILs significantly slowing down sol-gel reactions. A method was developed which provides phosphonium-based, pyridinium-based, and imidazolium-based IL-mediated advanced sol-gel organic-inorganic hybrid materials for capillary microextraction. Scanning electron microscopy results demonstrate that ILs can serve as porogenic agents in sol-gel reactions. IL-mediated sol-gel coatings prepared with silanol-terminated polymers provided up to 28 times higher extractions compared to analogous sol-gel coatings prepared without any IL in the sol solution. This study shows that IL-generated porous morphology alone is not enough to provide effective extraction media: careful choice of the organic polymer and the precursor with close sol-gel reactivity must be made to ensure effective chemical bonding of the organic polymer to the created sol-gel material to be able to provide the desired sorbent characteristics.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Tricin‐lignins: occurrence and quantitation of tricin in relation to phylogeny

Summary Tricin [5,7‐dihydroxy‐2‐(4‐hydroxy‐3,5‐dimethoxyphenyl)‐4H‐chromen‐4‐one], a flavone, was recently established as an authentic monomer in grass lignification that likely functions as a nucleation site. It is linked onto lignin as an aryl alkyl ether by radical coupling with monolignols or their acylated analogs. However, the level of tricin that incorporates into lignin remains unclear. Herein, three lignin characterization methods: acidolysis; thioacidolysis; and derivatization followed by reductive cleavage; were applied to quantitatively assess the amount of lignin‐integrated tricin. Their efficiencies at cleaving the tricin‐(4′– O– β)‐ether bonds and the degradation of tricin under the corresponding reaction conditions were evaluated. A hexadeuterated tricin analog was synthesized as an internal standard for accurate quantitation purposes. Thioacidolysis proved to be the most efficient method, liberating more than 91% of the tricin with little degradation. A survey of different seed‐plant species for the occurrence and content of tricin showed that it is widely distributed in the lignin from species in the family Poaceae (order Poales). Tricin occurs at low levels in some commelinid monocotyledon families outside the Poaceae, such as the Arecaceae (the palms, order Arecales) and Bromeliaceae (Poales), and the non‐commelinid monocotyledon family Orchidaceae (Orchidales). One eudicotyledon was found to have tricin ( Medicago sativa , Fabaceae). The content of lignin‐integrated tricin is much higher than the extractable tricin level in all cases. Lignins, including waste lignin streams from biomass processing, could therefore provide a large and alternative source of this valuable flavone, reducing the costs, and encouraging studies into its application beyond its current roles.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Importance of nuclear quantum effects on the hydration of chloride ion

Path-integral ab initio molecular dynamics (PI-AIMD) calculations have been employed to probe the nature of chloride ion solvation in aqueous solution. Nuclear quantum effects (NQEs) are shown to weaken hydrogen bonding between the chloride anion and the solvation shell of water molecules. As a consequence, the disruptive effect of the anion on the solvent water structure is significantly reduced compared to what is found in the absence of NQEs. Additionally, the chloride hydration structure obtained from PI-AIMD agrees well with information extracted from neutron scattering data. In particular, the observed satellite peak in the hydrogen-chloride-hydrogen triple angular distribution serves as a clear signature of NQEs. The present results suggest that NQEs are likely to play a crucial role in determining the structure of saline solutions.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Multi-Differential Charged Current $\nu_{\mu}$ - Argon Cross Section without Pions in the Final State Measurement in MicroBooNE

MicroBooNE, an 85-tonne liquid argon time projection chamber (LArTPC) detector is on-axis to the Booster Neutrino Beam (BNB) beamline facility at Fermi National Accelerator Laboratory. MicroBooNE is elucidating neutrino interactions with argon through cross-section measurements to refine interaction models and reduce uncertainties. In this poster, we present the status of the single and double multi-differential charged current (CC) cross section with zero pions in the final state (CC-0$\pi$) as a function of muon momentum ($0.1<p_\mu<2.0\,\mathrm{GeV/c}$) and the cosine of the muon angle ($-1<\cos\theta_\mu<1$). We present the details of the event selection and cross section extraction along with a set of tests using fake data to establish the robustness of the analysis methodology. We also discuss prospects for a future combined measurement with the Gd-H$_2$O target at the ANNIE experiment, to explore MicroBooNE’s proton multiplicity alongside ANNIE’s neutron multiplicity.

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

Inclusive Charged-Current Electron Neutrino Interactions in SBND

The Short-Baseline Near Detector (SBND), a 112 ton liquid argon time projection chamber (LArTPC), is the near detector of the Short- Baseline Neutrino Program at Fermilab. Due to its proximity to the Booster Neutrino Beam target, SBND has already seen a record-breaking number of electron neutrino interactions on argon. We present preliminary results from SBND’s differential inclusive electron neutrino charged-current analysis from our first year of beam data, selecting over 2,000 interactions. This analysis will present the largest sample of electron neutrinos on argon to date, as well as the first differential cross section measurement of electron neutrinos. This poster will give an overview of the selection, cross-section extraction, and demonstrate SBND’s detector and electromagnetic shower reconstruction performance through data/MC comparisons.

Tung, Lynn [Chicago U.]↗

NASA NTRS2016

Organic Analysis in the Miller Range 090657 CR2 Chondrite: Part 2 Amino Acid Analyses

Primitive carbonaceous chondrites contain a wide variety of organic material, ranging from soluble discrete molecules to insoluble, unstructured kerogen-like components, as well as structured nano-globules of macromolecular carbon. The relationship between the soluble organic molecules, macromolecular organic material, and host minerals are poorly understood. Due to the differences in extractability of soluble and insoluble organic materials, the analysis methods for each differ and are often performed independently. The combination of soluble and insoluble analyses, when performed concurrently, can provide a wider understanding of spatial distribution, and elemental, structural and isotopic composition of organic material in primitive meteorites. Using macroscale extraction and analysis techniques in combination with in situ microscale observation, we have been studying both insoluble and soluble organic material in the primitive CR2 chondrite Miller Range (MIL) 090657. In accompanying abstracts (Cao et al. and Messenger et al.) we discuss insoluble organic material in the samples. By performing the consortium studies, we aim to improve our understanding of the relationship between the meteorite minerals and the soluble and insoluble organic phases and to delineate which species formed within the meteorite and those that formed in nebular or presolar environments. In this abstract, we present the results of amino acid analyses of MIL 090657 by ultra performance liquid chromatography with fluorescence detection and quadrupole-time of flight mass spectrometry. Amino acids are of interest because they are essential to life on Earth, and because they are present in sufficient structural, enantiomeric and isotopic diversity to allow insights into early solar system chemical processes. Furthermore, these are among the most isotopically anomalous species, yet at least some fraction are thought to have formed by aqueously-mediated processes during parent body alteration.

Burton, A. S.↗

DOE OSTI2020

Development of Two-Phase Dense Fluid Expander for Advanced Cryogenic Air Separation and Low-Grade Heat Recovery

Cryogenic air separation represents the state-of-the-art technology to produce oxygen to feed coal gasification units. Given the maturity of this technology, it is difficult to identify opportunities to improve process efficiency and reduce the cost of the oxygen produced. However, Air Products conducted research and a feasibility investigation into the use of a two-phase (liquid-vapor) dense fluid expander (DFE) to improve the overall efficiency of cryogenic air separation. Demonstration of this novel concept was intended to allow two important process improvements: 1) elimination of the need for the DFE discharge to be single phase 2) expansion of the operating region of expanders in ASU service. Expanding the scope of turboexpander application beyond current application limits and traditional device designs would allow an increase in power recovery, and application of refrigeration and power recovery at new locations in process cycles would also enable the implementation of new process concepts. These new process concepts include power recovery from compression waste heat and refrigeration extraction and power recovery by replacing let-down valves with two-phase DFEs. Considering the maturity of cryogenic air separation, these new process options could represent a step change in power reduction and provide significant savings in operating costs. These new concepts would be particularly well-suited to large-scale oxygen production by cryogenic air separation and would enhance the economics of producing oxygen for use in coal gasification processes. Rotoflow, an Air Products business unit, manufactures dense fluid expanders in Pennsylvania for sites around the world. This project was executed in two phases, which are illustrated in Figure 1 below. Phase 1 consisted of a feasibility investigation of multiple applications of two-phase DFEs. In Phase 2, devices were identified, designed, fabricated and tested to explore the feasibility of commercial applications of DFEs operating in two-phase service. Engineering and testing were performed by personnel in Air Products’ Rotoflow business unit, with coordination with other Air Products business units.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2024

X-ray photoelectron spectroscopy of epitaxial films and heterostructures

X-ray photoelectron spectroscopy is a powerful experimental technique that yields invaluable information on a range of phenomena that occur in solids, liquids, and gasses. The binding energy and shape of a photoemission peak is sensitive not only to the atomic number, valence and orbital from which the electron is ejected, but also to complex many-body effects that accompany photoemission. Provided the influences of these different drivers of spectral line shapes can be disentangled, a great deal can be learned about the electronic structures of specific atoms in the material of interest. In addition to these largely local effects, the long-range electrostatic environment and resulting electric potential at the emitting atom have a direct effect on the measured binding energies. Furthermore, this fact opens the door to extracting information about the dependence of the valence and conduction band minima on depth below the surface, which in turn allows both vertical and lateral electrical transport data to be better understood. One purpose of this Report is to describe how the different physical forces described above impact spectral properties of complex oxide epitaxial films. This class of materials typically incorporates transition metal cations in different valences and of all the elements, these exhibit the most complex core-level spectra. A second purpose is to show how a comprehensive understanding of local physical effects in x-ray photoemission allows one to extract detailed information on internal electric fields and band edge discontinuities in heterostructures involving complex oxides from core-level line shapes.

47 OTHER INSTRUMENTATION↗