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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

A micro hot test of the Chalmers-GANEX extraction system on used nuclear fuel

In the present study, a 'micro hot test' has been performed using the Chalmers-GANEX (Group Actinide Extraction) system for partitioning of used nuclear fuel. The test included a pre-extraction step using N,N-di-2- ethylhexyl-butyramide (DEHBA) in n-octanol to remove the bulk part of the uranium. This pre-extraction was followed by a group extraction of actinides using the mixture of TBP and CyMe{sub 4}-BTBP in cyclohexanone as suggested in the Chalmers-GANEX process, and a three stage stripping of the extracted actinides. Distribution ratios for the extractions and stripping were determined based on a combination of γ- and α-spectrometry, as well as ICP-MS measurements. Successful extraction of uranium, plutonium and the minor actinides neptunium, americium and curium was achieved. However, measurements also indicated that co-extraction of europium occurs to some extent during the separation. These results were expected based on previous experiments using trace concentrations of actinides and lanthanides. Since this test was only performed in one stage with respect to the group actinide extraction, it is expected that multi stage tests will give even better results. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Multi-omic elucidation of aromatic catabolism in adaptively evolved Rhodococcus opacus

Lignin utilization has been identified as a key factor in biorefinery profitability. However, lignin depolymerization generates heterogeneous aromatic mixtures that inhibit microbial growth and conversion of lignocellulose to biochemicals. Rhodococcus opacus is a promising aromatic-catabolizing, oleaginous bacterium, but mechanisms for its aromatic tolerance and utilization remain undercharacterized. To better understand these mechanisms, we adaptively evolved R. opacus for improved utilization of 32 combinations of diverse aromatic compounds. Evolved R. opacus mutants showed up to 1900% growth improvement in the utilization of phenol, guaiacol, 4-hydroxybenzoate, vanillate, and benzoate compared to the wild-type strain. Whole genome sequencing revealed several redox-related genes with mutations shared across multiple adapted mutants. PVHG6, the mutant with the most improved growth on a mixture of multiple aromatic compounds, showed 56% lower superoxide dismutase activity than the wild-type strain, suggesting that redox reactions are important for aromatic tolerance and utilization. Comparative transcriptomics revealed by-product detoxification pathways and five aromatic funneling pathways that were upregulated in response to specific aromatic compounds. Gene knockout experiments confirmed the two degradation routes of the β-ketoadipate pathway for five aromatic compounds. Finally, these results provide an improved understanding of aromatic bioconversion and facilitate development of R. opacus as a biorefinery host.

09 BIOMASS FUELS↗
DOE OSTI2015

First-Principles Petascale Simulations for Predicting Deflagration to Detonation Transition in Hydrogen-Oxygen Mixtures

Hydrogen has emerged as an important fuel across a range of industries as a means of achieving energy independence and to reduce emissions. DDT and the resulting detonation waves in hydrogen-oxygen can have especially catastrophic consequences in a variety of industrial and energy producing settings related to hydrogen. First-principles numerical simulations of flame acceleration and DDT are required for an in-depth understanding of the phenomena and facilitating design of safe hydrogen systems. The goals of this project were (1) to develop first-principles petascale reactive flow Navier-Stokes simulation code for predicting gaseous high-speed combustion and detonation (HSCD) phenomena and (2) demonstrate feasibility of first-principles simulations of rapid flame acceleration and deflagration-to-detonation transition (DDT) in stoichiometric hydrogen-oxygen mixture (2H 2 + O 2 ). The goals of the project have been accomplished. We have developed a novel numerical simulation code, named HSCD, for performing first-principles direct numerical simulations of high-speed hydrogen combustion. We carried out a series of validating numerical simulations of inert and reactive shock reflection experiments in shock tubes. We then performed a pilot numerical simulation of flame acceleration in a long pipe. The simulation showed the transition of the rapidly accelerating flame into a detonation. The DDT simulations were performed using BG/Q Mira at the Argonne National Laboratory, currently the fourth fastest super-computer in the world.

08 HYDROGEN↗
DOE OSTI2024

Characterization of Oil and Gas Drill Cuttings for Critical Mineral Recovery and Reuse Potential as Soil Supplements

Expansion of unconventional oil and natural gas production over the last decade in the United States has resulted in record production of natural gas and oil in 2024. Millions of tons of drill cuttings generated from shale gas development are currently disposed of in landfills. Converting these cuttings into value product(s) such as critical minerals (CMs) and soil supplements, has the potential of reducing environmental impact of fossil fuel exploration. In this study we characterize the CM distribution and extractability from collected drill cuttings and core samples from major U.S. shale formations. A four-step sequential extraction, consisting of a sonicated soap step, sonicated EDTA step , mildly reducing agent, and a oxidizing agent, was developed to simultaneously extract CMs and convert the drill cuttings into soil supplements. Viability of converted drill cuttings as soil supplement was determined with a seedling growth experiment. Results show high concentrations of vanadium (V) (up to 1575 ppm, barite (up to 5 wt. %), and rare earth elements (REE) concentrations (up to 253 ppm). High extractability of selected critical minerals such as REE (19-50%) and Ba (10-58%) show promising results. Preliminary results show seedling growth in a mixture of converted drill cuttings with soil. These results show the potential for recovery of CMs from drill cuttings as an alternative domestic and the reduction of the environmental impact of fossil fuel production.

Barczok, Maximilian↗
NASA NTRS1972

An ERTS multispectral scanner experiment for mapping iron compounds

There are no author-identified significant results in this report. An experimental plan for enhancing spectral features related to the chemical composition of geological targets in ERTS multispectral scanner data is described. The experiment is designed to produce visible-reflective infrared ratio images from ERTS-1 data. Iron compounds are promising remote sensing targets because they display prominent spectral features in the visible-reflective infrared wavelength region and are geologically significant. The region selected for this ERTS experiment is the southern end of the Wind River Range in Wyoming. If this method proves successful it should prove useful for regional geologic mapping, mineralogical exploration, and soil mapping. It may also be helpful to ERTS users in scientific disciplines other than geology, especially to those concerned with targets composed of mixtures of live vegetation and soil or rock.

Vincent, R. K.↗
NASA NTRS1980

Chemical kinetic models for combustion of hydrocarbons and formation of nitric oxide

The formation of nitrogen oxides NOx during combustion of methane, propane, and a jet fuel, JP-4, was investigated in a jet stirred combustor. The results of the experiments were interpreted using reaction models in which the nitric oxide (NO) forming reactions were coupled to the appropriate hydrocarbon combustion reaction mechanisms. Comparison between the experimental data and the model predictions reveals that the CH + N2 reaction process has a significant effect on NO formation especially in stoichiometric and fuel rich mixtures. Reaction models were assembled that predicted nitric oxide levels that were in reasonable agreement with the jet stirred combustor data and with data obtained from a high pressure (5.9 atm (0.6 MPa)), prevaporized, premixed, flame tube type combustor. The results also suggested that the behavior of hydrocarbon mixtures, like JP-4, may not be significantly different from that of pure hydrocarbons. Application of the propane combustion and nitric oxide formation model to the analysis of NOx emission data reported for various aircraft gas turbines showed the contribution of the various nitric oxide forming processes to the total NOx formed.

Jachimowski, C. J.↗
NASA NTRS2003

Effects of Microsecond Pulse Laser Irradiation on Vis-NIR Reflectance Spectrum of Carbonaceous Chondrite Simulant: Implications for Martian Moons and Primitive Asteroids

Goal of this study is to make a progress in understanding the optical effects of space weathering on small bodies believed to be similar in composition to carbonaceous chondrites: C, G, B, F, T, D, and P asteroids and possibly Martian satellites Phobos and Deimos. The companion work focuses on petrological and mineralogical aspects of this process. One of the main factors of space weathering is meteorite and micrometeorite bombardment leading, in particular, to impact melting of components of the regolith. Studies of lunar regolith and laboratory experiments simulating impact melting show that the melting products differ from the unmelted material in mineralogy and distribution of chemical components among different phases that results in spectral changes. We simulate impact melting of CM chondrite by pulse laser irradiation of an artificial analog of such a meteorite. The analog is a mixture of 46 wt.% non-magnetic fraction of L5 ordinary chondrite Tsarev, 47 wt.% serpentine, 5 wt.% kerite, and 2 wt.% calcite. It simulates rather well bulk chemistry, including volatiles such as H2O and CO2, and only approximately the CM chondrite mineralogy. Thus, we do not expect the mixture to be spectrally similar to CM chondrites, but expect the laser melting products to be similar to those formed by impact melting of natural CM chondrites.

Hiroi, T.↗
NASA NTRS2004

Buoyancy Effects in Strongly-Pulsed, Turbulent Diffusion Flames

The objective of this experiment is to better understand the combustion behavior of pulsed, turbulent diffusion flames by conducting experiments in microgravity. The fuel jet is fully-modulated (i.e., completely shut off between pulses) by an externally controlled valve system leading to enhanced fuel/air mixing compared to acoustically excited or partially-modulated jets. Experiments are conducted both in laboratories at UW and WPI and in the GRC 2.2s Drop Tower. A single fuel nozzle with diameter d = 2 mm is centered in a combustor 20 20 cm in cross section and 67 cm in height. The gaseous fuel flow (ethylene or a 50/50 ethylene/nitrogen mixture by volume) is fully-modulated by a fast-response solenoid valve with injection times from tau = 4 to tau = 300 ms. The nominal Reynolds number based on the fuel velocity during injection, U(sub jet), is 5,000. A slow oxidizer co-flow properly ventilates the flame and an electrically heated wire loop serves as a continuous ignition source. Diagnostic techniques include video imaging, fine-wire thermocouples and thermopile radiometers, and gas sampling and standard emissions instruments (the last in the laboratory only).

Hermanson, J. C.↗
NASA NTRSDate not supplied

Mixing and Recovery Performance of Triplet Impinging Injectors with Varying Flow Areas for Detonative Combustion

Detonation combustion devices such as rotating detonation rocket engines (RDREs) have been proposed as an alternative to traditional deflagration engines as detonative combustion has a higher theoretical thermodynamic efficiency. Improved performance of an RDRE depends heavily on the propellant injection and mixing. Impingement type injectors have been shown to achieve higher characteristic velocity or combustion efficiency for both detonative and deflagrative engines. This work is exploratory in nature and focuses on unlike triplet impinging injectors to study how the flow area of the injector affects the mixing of propellants and recovery under the transient, high-peak pressure conditions unique to RDREs. A ratio of fuel flow area to oxidizer flow area is set to achieve a given mass flow rate and thus propellant mixture ratio. Four different fluid flow areas are studies while keeping the fuel/oxidizer ratio constant. This work has found that, while maintaining a fixed ratio fuel to oxidizer flow area, the injectors with smaller orifice areas show better resistance to backflow in steady state tests and have shorter recovery times in backflow experiments. Even with the shorter recovery times, it is found that the shortest recovery time is still an order of magnitude slower than the frequency of a single detonation wave traversing a 3” RDRE.

Michaela R. Hemming↗
DOE OSTI2014

The Impact of Fullerene Structure on Its Miscibility with P3HT and Its Correlation of Performance in Organic Photovoltaics

Neutron reflectivity experiments are utilized to obtain the miscibility limit of four different fullerenes, bis-PCBM, ICBA, thio-PCBM, and PC70BM, in poly(3-hexylthiophene) (P3HT). The intermixing of P3HT and fullerene bilayers is monitored by neutron reflectivity before and after thermal annealing, providing quantification of the miscibility and interdiffusion of the fullerene within P3HT. These results indicate that the miscibility limit of these fullerenes in P3HT ranges from 11% to 26%, where the bis-adduct fullerenes exhibit lower miscibility in P3HT, which is also verified by small angle neutron scatting (SANS). The in-plane morphology of the P3HT:fullerene mixtures was also examined by SANS, which shows a decrease in domain size and an increase in the specific interfacial area between the fullerene and the polymer with the bis-fullerenes. Correlation of miscibility and morphology to device performance indicates that polymer/ fullerene miscibility is crucial to rationally optimize the design of fullerenes for use in organic photovoltaics. Bis-PCBM has a higher open circuit voltage (Voc) than PC60BM with P3HT; however, device performance of bis-PCBM based devices is lower than that of PC60BM based devices. This decrease in performance is attributed to the lower miscibility of bis-PCBM in P3HT, which decreases the probability of exciton dissociation and enhances the recombination of free charge carriers in the miscible region. Moreover, the minimum distance between fullerenes in the miscible region to facilitate intermolecular transport is identified as 11 .

Chen, Huipeng↗
NASA NTRS1984

Spatial electron density and electric field strength measurements in microwave cavity experiments

Measurements of electron density and electric field strength have been made in an argon plasma contained in a resonant microwave cavity at 2.45 GHz. Spatial measurements of electron density, n sub e, are correlated with fluorescence observations of the discharge. Measurements of n sub e were made with Stark broadening and compared with n sub 3 calculated from measured plasma conductivity. Additional measurements of n sub 3 as a function of pressure and in mixtures of argon and oxygen are presented for pressures from 10 Torr to 1 atm. Measurements in flowing gases and in static systems are presented. In addition, limitations of these measurements are identified.

Peters, M.↗
NASA NTRS1984

Spatial electron density and electric field strength measurements in microwave cavity experiments

Measurements of electron density and electric field strength have been made in an argon plasma contained in a resonant microwave cavity at 2.45 GHz. Spatial measurements of electron density, n sub e, are correlated with fluorescence observations of the discharge. Measurements of n sub e were made with Stark broadening and compared with n sub e calculated from measured plasma conductivity. Additional measurements of n sub e as a function of pressure and in mixtures of argon and oxygen are presented for pressures from 10 Torr to 1 atm. Measurements in flowing gases and in static systems are presented. In addition, limitations of these measurements are identified.

Peters, M.↗
DOE OSTI2011

Influence of S Contamination on CO2 Reduction at Ag electrodes

The influence of S poisoning on Ag electrodes for the production of synthesis gas (syn-gas) was evaluated at 20 and 70 C using a flow-cell electrolysis system with a gas diffusion electrode (GDE). Before poisoning, a mixture of CO and H2 (syn-gas) was produced. After exposure to Na2S at open circuit potential (OCP) the overpotential for H2 evolution decreased resulting in a significant decrease in the Faradaic efficiency for CO. It was found that poisoning was mostly reversed by performing electrolysis at 20 C in S free electrolyte but not at 70 C. Measurements on planar disk electrodes showed distinct stripping waves for S adsorbed at OCP. The stripping waves were influenced by both temperature and the presence of CO2. These measurements show the potential dependant nature of electrode recovery where at elevated temperature adequate polarization to strip S was prevented by H2 evolution. Poisoning during operation leads to a temporary decrease in CO produced which can be mostly recovered by exchanging the catholyte. SEM analysis of S-exposed GDEs demonstrated a blocking of the pore-structure at the GDE surface. Preliminary experiments with economical grades of CO2 showed only minor poisoning due to S-containing species leading to only marginal changes in syn-gas composition.

10 SYNTHETIC FUELS↗
DOE OSTI2024

Investigation of Frozen Chemistry for Molten Salt Reactors (MSRs)

Understanding accident progression and the potential/conditions for fission product release from fuel is necessary to evaluate safety for any nuclear reactor system. Molten Salt Reactors (MSRs) under development need such analysis to support safety evaluations. Fission product chemistry specific to MSR concepts is a critical area that introduces distinct considerations relative to the current state-of-knowledge in reactor safety, primarily developed for water-moderated nuclear reactor systems. In Light Water Reactor (LWR) systems, it is necessary to capture the chemical interaction of fission products with the reactor evironment, containment and confinement systems. The overall effects at this point are relatively well understood for the purposes of performing safety evaluations. A key insight from LWR studies is that fission product chemical behavior can be reasonably captured by modeling approaches where the chemistry is "frozen". These modeling approaches assume that radionuclide reaction and speciation can be represented by chemical classes, each with characteristic transport behavior that is invariant under a broad range of thermochemical conditions. However, radionuclides can exhibit a range of behavior in the liquid salt-melt phase of the coolant used in MSRs. Radionuclides, salt, and the metal containment surfaces (i.e. pipes) can co-exist in dynamic equilibrium that could evolve with small system mass changes. A detailed investigation to the degree the equilibrium state can dynamically evolve with changes in the conditions of the molten salt mixture has not been previously conducted. It is currently not well understood where frozen chemistry assumptions are valid. Expanding the state-of-knowledge in this regard is relevant to better assessing the range of chemical effects that should be incorporated as part of MSR safety assessments. This investigation used the Oak Ridge Isotope GENeration (ORIGEN) module of the Standardized Computer-Analysis for Licensing Evaluation (SCALE) code to generate simulated radionuclide inventories for the MSR Experiment (MSRE) and then modeled reactor chemical speciation using the Molten Salt Thermodynamic Database – Thermochemical (MSTDB-TC) coupled with Thermochimica. The effect of composition variation during decay of fission product inventory in a molten salt over a period of 500 days prolonged post- at multiple temperatures was studied. Mass fractions for fluorine and berilium were varied in order to probe the effects of free fluorine control. Finally, speciation of fluoride reactors were showed by comparing MSRE readionuclide inventories with a FLiBe based molten salt breeder reactor (MSBR). The results showed that fission product mass change has little effect on phase mass changes and vapor pressures for fluoride species, but differ with varying carrier and fuel salt compositions. However, iodine species were found to have a vapor pressure not only dependent on temperature, but also the free fluorine potential, releasing iodine when the free fluorine potential is equal to the iodine inventory. This observation, however, arose under free fluorine potentials that are very unlikely to be realized in typical molten salt mixtures. Despite this observation, temperature was found to be the dominant parameter that drove phase change and fission product species vapor pressure. The results indicate that the current frozen chemistry approach is adequate for MSR analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Directionally Interacting Spheres and Rods Form Ordered Phases

The structures formed by mixtures of dissimilarly shaped nanoscale objects can significantly enhance our ability to produce nanoscale architectures. However, understanding their formation is a complex problem due to the interplay of geometric effects (entropy) and energetic interactions at the nanoscale. Spheres and rods are perhaps the most basic geometrical shapes and serve as convenient models of such dissimilar objects. The ordered phases formed by each of these individual shapes have already been explored, but, when mixed, spheres and rods have demonstrated only limited structural organization to date. We show using experiments and theory that the introduction of directional attractions between rod ends and isotropically interacting spherical nanoparticles (NPs) through DNA base pairing leads to the formation of ordered three-dimensional lattices. The spheres and rods arrange themselves in a complex alternating manner, where the spheres can form either a face-centered cubic (FCC) or hexagonal close-packed (HCP) lattice, or a disordered phase, as observed by in situ X-ray scattering. Increasing NP diameter at fixed rod length yields an initial transition from a disordered phase to the HCP crystal, energetically stabilized by rod-rod attraction across alternating crystal layers, as revealed by theory. In the limit of large NPs, the FCC structure is instead stabilized over the HCP by rod entropy. Thus, we propose that directionally specific attractions in mixtures of anisotropic and isotropic objects offer insight into unexplored self-assembly behavior of noncomplementary shaped particles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Hot Spot Chemistry in Several Polymer-Bound Explosives under Nanosecond Shock Conditions

Initial hot spot temperatures and temperature evolutions for 4 polymer-bound explosives under shock compression by laser-driven flyer plates at speeds from 1.5–4.5 km s -1 are presented. A new averaging routine allows for improved signal to noise in shock compressed impactor experiments and yields temperature dynamics which are more accurate than has been previously available. The PBX formulations studied here consist of either pentaerythritol tetranitrate (PETN), 1,3,5-trinitro-1,3,5-triazinane (RDX), 2,4,6-trinitrotoluene (TNT), or 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) in a 80/20 wt.% mixture with a silicone elastomer binder. The temperature dynamics demonstrate a unique shock strength dependence for each base explosive. The initial hot spot temperature and its evolution in time are shown to be indicative of chemistry occurring within the reaction zone of the four explosives. The number density of hot spots is qualitatively inferred from the spatially-averaged emissivity and appears to increase exponentially with shock strength. An increased emissivity for formulations consisting of TNT and TATB is consistent with carbon-rich explosives and in increased hot spot volume. Finally, qualitative conclusions about sensitivity were drawn from the initial hot spot temperature and rate at which the number of hot spots appear to grow.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Physical and chemical effects of isopropanol exchange in cement-based materials

Drying cement-based materials is a necessary step to characterize the microstructure by microscopy, adsorption, or mercury intrusion. The isopropanol (IPA) exchange method is commonly used to replace the pore solution prior to drying, as it reduces the capillary pressure and thereby helps to preserve the microstructure of the hydrated cementitious materials. However, some physical and chemical effects of IPA on hydration products have been reported. These effects cannot be completely avoided, but can be reduced by shortening the exchange duration, in particular for effects on ettringite. This study carried out experiments with different exchange durations and IPA removal techniques to address research gaps in the literature. For 1-mm cubes of cement paste with IPA diffusion coefficient of 1 × 10{sup −11} m{sup 2}/s, the compared exchange durations are 5 min, 15 min (value from the literature), 40 min (when the mixture at the sample center achieves 95% of the drop in surface tension from water to IPA), 80 min (when the IPA/water mixture at the sample center reaches an azeotrope), 5 h (when over 99% IPA is replaced at the sample center), and 24 h (prolonged exchange). After IPA exchange, samples were either directly dried at 40 °C with flushing N{sub 2} or washed by diethyl ether prior to N{sub 2} drying. Even though the exchange duration of 40 and 80 min, in theory, can reduce the damage from capillary pressure, the nitrogen adsorption results do not show any advantage in preventing microstructural alteration. The 5-h exchange provided results similar to the 24-h exchange, but the latter induced slightly more serious chemical effects resulting from the longer contact of IPA with hydration products. In addition, the compared IPA removal techniques do not show significant differences. Therefore, this study suggests using small samples (~1 mm) for microstructural studies following IPA exchange for a period corresponding to the time when 99% of the water (mole fraction) at the sample center is replaced.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Mechanisms of flame stabilisation at low lifted height in a turbulent lifted slot-jet flame

A turbulent lifted slot-jet flame is studied using direct numerical simulation (DNS). A one-step chemistry model is employed with a mixture-fraction-dependent activation energy which can reproduce qualitatively the dependence of the laminar burning rate on the equivalence ratio that is typical of hydrocarbon fuels. The basic structure of the flame base is first examined and discussed in the context of earlier experimental studies of lifted flames. Several features previously observed in experiments are noted and clarified. Some other unobserved features are also noted. Comparison with previous DNS modelling of hydrogen flames reveals significant structural differences. The statistics of flow and relative edge-flame propagation velocity components conditioned on the leading edge locations are then examined. The results show that, on average, the streamwise flame propagation and streamwise flow balance, thus demonstrating that edge-flame propagation is the basic stabilisation mechanism. Fluctuations of the edge locations and net edge velocities are, however, significant. It is demonstrated that the edges tend to move in an essentially two-dimensional (2D) elliptical pattern (laterally outwards towards the oxidiser, then upstream, then inwards towards the fuel, then downstream again). It is proposed that this is due to the passage of large eddies, as outlined in Su et al. ( Combust. Flame , vol. 144 (3), 2006, pp. 494–512). However, the mechanism is not entirely 2D, and out-of-plane motion is needed to explain how flames escape the high-velocity inner region of the jet. Finally, the time-averaged structure is examined. A budget of terms in the transport equation for the product mass fraction is used to understand the stabilisation from a time-averaged perspective. The result of this analysis is found to be consistent with the instantaneous perspective. The budget reveals a fundamentally 2D structure, involving transport in both the streamwise and transverse directions, as opposed to possible mechanisms involving a dominance of either one direction of transport. Lastly, it features upstream transport balanced by entrainment into richer conditions, while on the rich side, upstream turbulent transport and entrainment from leaner conditions balance the streamwise convection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗