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DOE OSTI2021

Temperature Effects on Droplet Oscillation Decay with Application to Fuel Property Measurement

Observation of oscillation decay in droplets has been shown to be an effective approach in determining physical properties such as viscosity and surface tension for emerging biofuels using μl quantities. Herein this work extends the approach to higher temperatures relevant to fuel injection conditions for internal combustion engines. Experiments are conducted that use high-resolution strobed imaging of moving, heated, μm-sized, fuel droplets to capture shape oscillation decay through image processing and analysis. Two fuels are investigated, iso-butanol and a primary reference fuel (PRF 84), which is a mixture of iso-octane and n-heptane. A piezoelectric droplet generator is used to generate a continuous train of single droplets, which are given an initial perturbation and subsequently undergo damped oscillations, captured using strobed imaging. Surface tension and viscosity calculated at four different temperatures ranging from 30°C-55°C using the frequency and decay time associated with the fundamental mode are found to be within ~ 10% of reference values obtained from the literature. Complementary numerical simulations are performed that utilize a volume-of-fluid approach to track transient droplet oscillation phenomena along with heat and mass transfer in a 2D axisymmetric domain. Simulations, where droplet size and temperature can be independently varied, capture an expected decrease in oscillation frequency and increase in decay time, with increase in fuel temperature. The simulations are further used to study the relative contribution to deviations in surface tension and viscosity predictions due to heat and mass transfer from the droplet, as well as viscous effects violating the inviscid flow assumption in the droplet oscillation theory. Mass loss effects are found to be negligible. Temperature change due to heat transfer is found to have the next highest sensitivity, particularly for the more volatile PRF 84, which has a lower viscosity and associated Ohnesorge number. For isobutanol, which has a higher viscosity and Ohnesorge number, viscous effects contribute the most to deviation in fuel property predictions.

09 BIOMASS FUELS↗

DOE OSTI2023

Analysis of gas storage and transport in Eagle Ford shale using pressure pulse decay measurements with He, Kr and CO 2

Detailed characterization of gas transport and storage in low-permeability and organic-rich shales is associated with an array of challenges due to the complex morphology of the pore space, representing a broad range of pore sizes, combined with the heterogeneous fabric of the shale matrix. These factors, and their interplay during gas transport and sorption, complicate a) the analysis of shale samples at the laboratory scale (~ up to a ft. In length), and b) the prediction of natural gas production and carbon sequestration potential at larger scales. Here, in this work, tandem experiments with inert (helium – He) and adsorbing (krypton - Kr and carbon dioxide - CO 2 ) gases were performed and analyzed to develop an efficient workflow for characterizing and modeling transport and sorption at the laboratory scale. In particular, pressure pulse-decay (PPD) measurements were conducted on an Eagle Ford shale core sample at room temperature using He, Kr, and CO 2 . PPD measurements with He (a non-sorbing gas) were employed to probe the overall porosity, including natural fractures, microcracks, mesopores, and micropores. A triple-porosity model (TPM) was adopted to interpret the gas transport in the shale sample: The pore space is represented by three interacting continua, including macropores (larger fractures), mesopores (including microcracks), and micropores. To facilitate the application of the TPM, a modified analytical approach is introduced to extract effective transport parameters (in terms of the characteristic time for transport at relevant porosity levels) directly from the PPD measurements with He. To validate the modeling approach, model parameters extracted from two He PPD measurements are demonstrated to provide excellent agreement with a 3rd He PPD measurement performed at a higher pressure. The effective transport parameters, extracted from the He experiments, were subsequently converted for application to the Kr and CO 2 PPD experiments, by accounting for relevant transport modes and differences in fluid properties. Excess adsorption isotherms were extracted from the equilibrium pressures of the Kr and CO 2 PPD experiments using the He pore volume as a baseline. These adsorption isotherms were then integrated into the TPM to predict combined gas transport and sorption for Kr and CO 2 , with transport coefficients translated from the He measurements. The predictions for Kr and CO 2 are demonstrated to be in excellent agreement with the experimental observations. This, in turn, demonstrates that the proposed analytical approach provides for an effective characterization of mass transfer rates in shales, that can be applied directly in a TPM representation of mass transfer and sorption.

58 GEOSCIENCES↗

DOE OSTI2023

Stragglers of the thick disc

Young alpha-rich (YAR) stars have been detected in the past as outliers to the local age - [α/Fe] relation. These objects are enhanced in α-elements, but they are apparently younger than typical thick disc stars. Here, we study the global kinematics and chemical properties of YAR giant stars in the APOGEE DR17 survey and show that they have properties similar to those of the standard thick disc stellar population. This leads us to conclude that YAR are rejuvenated thick disc objects, and the most likely explanation is that they are evolved blue stragglers. This is confirmed by their position in the Hertzsprung–Russel diagram (HRD). Extending our selection to dwarfs allowed us to obtain the first general straggler distribution in an HRD of field stars. We also compared the elemental abundances of our sample with those of standard thick disc stars and found that our YAR stars are shifted in oxygen, magnesium, sodium, and the slow neutron-capture element cerium. Although we detected no sign of binarity for most objects, the enhancement in cerium may be a signature of a mass transfer from an asymptotic giant branch companion. The most massive YAR stars suggest that mass transfer from an evolved star may not be the only plausible formation pathway and that other scenarios, such as collision or coalescence, should be considered.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

The Evolution of Population III and Extremely Metal-poor Binary Stars

Numerical simulations have now shown that Population III (Pop III) stars can form in binaries and small clusters and that these stars can be in close proximity to each other. If so, they could be subject to binary interactions such as mass exchange that could profoundly alter their evolution, ionizing UV and Lyman–Werner photon emission and explosion yields, with important consequences for early cosmological reionization and chemical enrichment. Here we investigate the evolution of Pop III and extremely metal-poor binary stars with the MESA code. We find that interactions ranging from stable mass transfer to common envelope evolution can occur in these binaries for a wide range of mass ratios and initial separations. Mass transfer can nearly double UV photon yields in some of these binaries with respect to their individual stars by extending the life of the companion star, which in turn can enhance early cosmological reionization but also suppress the formation of later generations of primordial stars. Binary interactions can also have large effects on the nucleosynthetic yields of the stars by promoting or removing them into or out of mass ranges for specific SN types. We provide fits to total photon yields for the binaries in our study for use in cosmological simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Quasi-periodic Oscillations in the TESS Light Curve of TX Col, a Diskless Intermediate Polar on the Precipice of Forming an Accretion Disk

One of the fundamental properties of an intermediate polar is the dynamical nature of the accretion flow as it encounters the white dwarf’s (WD’s) magnetosphere. Many works have presumed a dichotomy between disk-fed accretion, in which the WD accretes from a Keplerian disk, and stream-fed accretion, in which the matter stream from the donor star directly impacts the WD’s magnetosphere without forming a disk. However, there is also a third, poorly understood regime in which the accretion flow consists of a torus of diamagnetic blobs that encircles the WD. This mode of accretion is expected to exist at mass-transfer rates below those observed during disk-fed accretion, but above those observed during pure stream-fed accretion. We invoke the diamagnetic-blob regime to explain the exceptional Transiting Exoplanet Survey Satellite light curve of the intermediate polar TX Col, which transitioned into and out of states of enhanced accretion during Cycles 1 and 3. Power-spectral analysis reveals that the accretion was principally stream fed. However, when the mass-transfer rate spiked, large-amplitude quasi-periodic oscillations (QPOs) abruptly appeared and dominated the light curve for weeks. The QPOs have two striking properties: they appear in a stream-fed geometry at elevated accretion rates, and they occur preferentially within a well-defined range of frequencies (∼10–25 cycle day{sup −1}). We propose that during episodes of enhanced accretion, a torus of diamagnetic blobs forms near the binary’s circularization radius and that the QPOs are beats between the white dwarf’s spin frequency and unstable blob orbits within the WD’s magnetosphere. We discuss how such a torus could be a critical step in producing an accretion disk in a formerly diskless system.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRSDate not supplied

Validation and Development of a Fast-Running CFD Model for the No-Vent Fill of Liquid Propellant Tank

Cryogenic fluids, while offering higher energy density than storable propellants, present several handling challenges, including gradual boil-off and tank self-pressurization. Transferring these propellants between tanks can be problematic, as the receiving tank's temperature and pressure often lead to flashing and rapid boil-off upon injection. The No-Vent Fill (NVF) technique mitigates these risks by preventing liquid fuel from being expelled overboard. By controlling tank pressure and ensuring appropriate condensation in the ullage region, the NVF process avoids exceeding vent pressure limits. In this study, Loci/STREAM-VOF simulations were compared with data from NASA K-site test runs on a 2.1 cubic meter tank with a bottom orifice under various no-vent fill conditions, including different wall temperatures, flow rates, and inlet liquid temperatures. The effort demonstrated that Loci/STREAM-VOF is capable of quantitatively capturing the important physics of NVF with submerged jets: (1) validation of the liquid-vapor interface turbulence velocity using previous experimental data showed good agreement at different fill levels; (2) validation of the CFD Stanton number for mass transfer provided an adequate mass transfer coefficient range; (3) consistent pressure agreements were found in the pressure history for both cold and warm conditions; and (4) the variations of final pressure with flow rate and inlet liquid temperature were well predicted by the CFD simulation. The application of NVF for low-gravity conditions will be studied in future work.

CFD↗

NASA NTRSDate not supplied

Validation and Development of a Fast-Running CFD Model for the No-Vent Fill of Liquid Propellant Tank

CFD↗

DOE OSTI2026

Eddy Covariance Theory: A Review

Eddy covariance (EC), the gold standard for measuring ecosystem scale gas and heat exchanges, has transformed our understanding of the breathing of the biosphere, and thus global change biology. Despite numerous methodological improvements and insights gained from the technique, the community faces persistent challenges that have been present since the first EC measurements. Here, we review the theoretical developments underpinning EC. We present theoretical developments in four important areas that have relevance to EC measurements of the net ecosystem exchanges (NEE) of gases and heat from a single tower: (i) measuring the total vertical flux density, (ii) flux attenuation, (iii) coordinate rotations, and (iv) energy balance closure. Persistent problems with EC measurements, such as the inability to close the energy budget, led us to identify two priorities for revisiting the theory underlying: (i) sensible heat flux calculations, and (ii) constraining the mean vertical wind velocity. We present a framework for improved calculation of sensible heat flux derived from first principles of fluid mechanics and thermodynamics that considers coupled heat and mass transfer so that conservation of both is obeyed. These refinements are motivated by the need for unbiased measurements of energy and mass transfer between the land surface and atmosphere for ecosystem research and to validate satellite observations and land surface models.

ecosystem fluxes↗

DOE OSTI2021

Harnessing Photoelectrochemistry for Wastewater Nitrate Treatment Coupled with Resource Recovery

Wastewater is a misplaced resource well suited to recover nutrients, value-added chemicals, energy, and clean water. A photoelectrochemical device is proposed to transform wastewater nitrates to ammonia and nitrous oxide, coupled with water oxidation. Numerical models were developed to quantify the dependence of process efficiencies and nitrogen-removal rates on light absorber band gaps, electrocatalytic kinetic parameters, competing oxygen reduction and hydrogen evolution reactions, and the reacting nitrate species concentrations that affect the mass-transfer limited current densities. With a single light-absorber and state-of-the-art catalysts, optimal solar-to-chemical efficiencies of 7% and 10% and nitrogen-removal rates of 260 and 395 gN m -2 day -1 are predicted for nitrate reduction to ammonia and nitrous oxide, respectively. The influence of competing reactions on the performance depends on the nitrate concentration and band gap of the light absorber modeled. Oxygen reduction is more dominant than hydrogen evolution to compete with the nitrate reduction reaction, but it is mass-transfer limited. Even with kinetic parameters that enhanced the driving forces for the competing reactions, the performance is only minimally affected by these reactions for optimally selected band gaps and nitrate concentrations larger than 100 mM. Here, theoretically predicted peak nitrogen removal rates and specific energy intensities are competitive with reported estimates for electrochemical and Sharon-Anammox processes for ammonia recovery and nitrogen removal, respectively. This result, together with the added benefit of harnessing sunlight to produce value-added products, indicates promise in the photoelectrochemical approach as a tertiary pathway to recover nutrients and energy from wastewater nitrates.

25 ENERGY STORAGE↗

NASA NTRSDate not supplied

Nodal Modeling of Tank Pressurization and Draining using a Multi-Node-Ullage Approach

Pressurized expulsion tests of liquid methane were modeled by a nodal code using a multinode ullage approach. Generalized Fluid System Simulation Program (GFSSP), a finite volume based nodal code was used to model the expulsion of liquid methane from a 1.52-meter (5 ft) diameter spherical tank by pressurizing with helium and gaseous methane. The purpose of the model was to estimate the amount of pressurant required and amount of condensation and evaporation of methane during the operation. The ullage was discretized into multiple nodes and each fluid node was connected to solid nodes. Both the fluid and solid nodes grow as the tank drains. The heat and mass transfer between fluid and solid node in the tank ullage was computed. The heat and mass transfer between the bottom ullage node and the liquid methane was also computed. The model predictions were compared with data from twelve test cases. The predicted pressurant consumption for helium pressurization compares with test data with a Mean Absolute Percent Error (MAPE) of 3 %. For autogenous pressurization, where gaseous methane was used to pressurize liquid methane, the predicted pressurant consumption compares with a MAPE of 6%.

Cryogenic Propellant↗

NASA NTRSDate not supplied

Nodal Modeling of Helium Pressurization and Autogenous Pressurization and Draining using a Multi-Node-Ullage Approach

Pressurized expulsion tests of liquid methane were modeled by a nodal code using a multinode ullage approach. Generalized Fluid System Simulation Program (GFSSP), a finite volume based nodal code was used to model the expulsion of liquid methane from a 1.52-meter (5 ft) diameter spherical tank by pressurizing with helium and gaseous methane. The purpose of the model was to estimate the amount of pressurant required and amount of condensation and evaporation of methane during the operation. The ullage was discretized into multiple nodes and each fluid node was connected to solid nodes. Both the fluid and solid nodes grow as the tank drains. The heat and mass transfer between fluid and solid node in the tank ullage was computed. The heat and mass transfer between the bottom ullage node and the liquid methane was also computed. The model predictions were compared with data from twelve test cases. The predicted pressurant consumption for helium pressurization compares with test data with a Mean Absolute Percent Error (MAPE) of 3%. For autogenous pressurization, where gaseous methane was used to pressurize liquid methane, the predicted pressurant consumption compares with a MAPE of 6%.

Nodal Model↗

DOE OSTI2022

Evaluation of mitigation strategies for radioactive fission gases in fluoride-salt-cooled high-temperature reactors

Here, the Fluoride-salt-cooled High-temperature Reactor (FHR) is a promising Generation IV nuclear reactor due to its improved safety design, near atmospheric working pressure, and high electric power conversion efficiency. However, control of radioactive fission gases, such as tritium, is a critical issue in FHRs due to the significantly larger production rate and potentially larger leakage rate of tritium compared to those in Light Water Reactors (LWRs). Therefore, this study proposes two mitigation strategies for tritium in FHRs: Double-Wall Heat eXchanger with a Tritium Carrier (DWHX-TC) option and Single-Wall Heat eXchanger with a Tritium Barrier (SWHX-TB) option. For the DWHX-TC option, two tube surface configurations, i.e., plain and fluted tubes, and four tritium carriers, i.e., helium, FLiBe, FLiNaK, and KF-ZrF 4 , are initially considered, among which the best tube configuration and promising tritium carrier are then selected and used for design optimization of the DWHX. For the SWHX-TB option, two cases, tritium barriers with and without cracks, are investigated in this study. In addition, the two mitigation strategies are evaluated by an in-house, one-dimensional, coupled HEat and MAss Transfer (HEMAT) code developed to predict the leakage rate of tritium in nuclear systems. Our analysis shows that (1) a double-wall configuration using fluted tubes as both the inner and outer tubes is better than other double-wall configurations investigated; (2) helium, as a tritium carrier, is superior to other candidates, including FLiBe, FLiNaK, and KF-ZrF 4 ; (3) the leakage rate of tritium (into the atmosphere) is reduced from 3400 Ci/day, taking the Advanced High-Temperature Reactor (AHTR) as a reference, to 4.0 Ci/day for an optimum design of the DWHX-TC option using helium as the tritium carrier and 1.7 Ci/day for an optimum design of the SWHX-TB option using 30-µm thick silicon carbide (SiC) as the tritium barrier (no cracks); and (4) potential cracks in tritium barriers may significantly deteriorate mass transfer performance of the SWHX-TB option. For example, a cracking rate of 0.1% leads to an increase of 694.1% in the leakage rate under the conditions investigated.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1966

Turbulent compressible boundary layer on a flat plate with heat transfer and mass diffusion.

Compressible turbulent boundary layer on flat plate, noting correspondence between compressible and incompressible flow, numerical results on skin friction and heat transfer, etc

TURBULENT HEAT TRANSFER↗

DOE OSTI2023

Effect of water droplet growth dynamics on electrode current in fuel-cell catalyst layers

Fuel cells are a promising next-generation energy-conversion technology designed to replace internal combustion engines in transportation applications. However, much work remains to optimize them. Operation at high humidities causes liquid water droplet formation on Pt catalyst particles during oxygen reduction, potentially impeding reactant arrival to the reactive electrode. In this work, four different cases of water droplet growth in fuel-cell catalyst layers are considered: pinned or advancing droplets on a bare Pt surface, advancing droplets on a Nafion film, and water-layer growth in carbon nanopores. Transient drop growth is captured with a combination of mass, species mass, and momentum balances, and the subsequent limiting current is determined via oxygen diffusion and Tafel kinetics. Further, water droplets are found not to be mass-transfer limiting due to the relatively large liquid-gas area compared to the Pt nanoparticle. Mass-transfer-limited behavior is calculated in carbon nanopores.

25 ENERGY STORAGE↗

DOE OSTI2023

Cannibals in the thick disk II. Radial-velocity monitoring of the young α -rich stars

Determining ages of stars for reconstructing the history of the Milky Way remains one of the most difficult tasks in astrophysics. This involves knowing when it is possible to relate the stellar mass with its age and when it is not. The young α-rich (YAR) stars present such a case in which we are still not sure about their ages because they are relatively massive, implying young ages, but their abundances are α-enhanced, which implies old ages. We report the results from new observations from a long-term radial-velocity-monitoring campaign complemented with high-resolution spectroscopy, as well as new astrometry and seismology of a sample of 41 red giants from the third version of APOKASC, which includes YAR stars. The aim is to better characterize the YAR stars in terms of binarity, mass, abundance trends, and kinematic properties. The radial velocities of HERMES, APOGEE, and Gaia were combined to determine the binary fraction among YAR stars. In combination with their mass estimate, evolutionary status, chemical composition, and kinematic properties, it allowed us to better constrain the nature of these objects. We found that stars with M < 1 M ⊙ were all single, whereas stars with M > 1 M ⊙ could be either single or binary. This is in agreement with theoretical predictions of population synthesis models. Studying their [C/N], [C/Fe], and [N/Fe], trends with mass, it became clear that many YAR stars do not follow the APOKASC stars, favoring the scenario that most of them are the product of mass transfer. Our sample further includes two likely undermassive stars, that is to say of such as low mass that they cannot have reached the red clump within the age of the Universe, unless their low mass is the signature of mass loss in previous evolutionary phases. These stars do not show signatures of currently being binaries. Both YAR and undermassive stars might show some anomalous APOGEE abundances for the elements N, Na, P, K, and Cr; although, higher-resolution optical spectroscopy might be needed to confirm these findings. Considering the significant fraction of stars that are formed in pairs and the variety of ways that makes mass transfer possible, the diversity in properties in terms of binarity, and chemistry of the YAR and undermassive stars studied here implies that most of these objects are likely not young.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1983

On the origin of the 6.1-ms pulsar

A quantitative model is presented to account for the observed features of the binary pulsar PSR1953+53. A lower giant branch star is suggested to have evolved on a nuclear time scale while orbiting a neutron star, with mass transfer to the neutron star commencing when the giant attained its Roche lobe. A radius-core mass relationship was used to examined the processes that occurred after the hydrogen atmosphere was drained off to the neutron star. Tidal dissipation has circularized the orbit of the companion during mass transfer, while the orbit expanded. Accretion torques caused spin-up of the neutron star, which had a magnetic moment of no more than 3 x 10 to the 27th G/cu cm. The drained star became a degenerate dwarf with very faint luminosity, which accounts for no visual companion having been observed to date.

Joss, P. C.↗

NASA NTRS2019

Quantification of CO2 and CH4 emissions over Sacramento, California, based on divergence theorem using aircraft measurements

Emission estimates of carbon dioxide (CO2) and methane (CH4) and the meteorological factors affecting them are investigated over Sacramento, California, using an aircraft equipped with a cavity ring-down greenhouse gas sensor as part of the Alpha Jet Atmospheric eXperiment (AJAX) project. To better constrain the emission fluxes, we designed flights in a cylindrical pattern and computed the emission fluxes from two flights using a kriging method and Gauss’s divergence theorem. Differences in wind treatment and assumptions about background concentrations affect the emission estimates by a factor of 1.5 to 7. The uncertainty is also impacted by meteorological conditions and distance from the emission sources. The vertical layer averaging affects the flux estimate, but the choice of raw wind or mass-balanced wind is more important than the thickness of the vertical averaging for massbalanced wind for both urban and local scales. The importance of vertical mass transfer for flux estimates is examined, and the difference in the total emission estimate with and without vertical mass transfer is found to be small, especially at the local scale. The total flux estimates accounting for the entire circumference are larger than those based solely on measurements made in the downwind region. This indicates that a closed-shape flight profile can better contain total emissions relative to a one-sided curtain flight because most cities have more than one point source and wind direction can change with time and altitude. To reduce the uncertainty of the emission estimate, it is important that the sampling strategy account not only for known source locations but also possible unidentified sources around the city. Our results highlight that aircraft-based measurements using a closed-shape flight pattern are an efficient and useful strategy for identifying emission sources and estimating local- and city-scale greenhouse gas emission fluxes.

Ju-Mee Ryoo↗

DOE OSTI2023

Experiments and Simulations to Describe Alkalinity Release from Particle-Containing Oil-in-Water Emulsions and Particle Suspensions

Among the most common amendments added to groundwater during site remediation are compounds used to adjust or maintain the pH. This research describes an approach to encapsulate mineral particles (MgO and CaCO 3 ) within oil droplets suspended within an aqueous phase for the purpose of delivery to the subsurface environment. A series of batch experiments was combined with mathematical modeling to illustrate the encapsulation and understand the influence of particle encapsulation on rates and extents of alkalinity release. The encapsulation of the alkalinity-releasing particles results in slower rates of amendment release as compared to rates obtained using suspensions of bare mineral particles, allowing for the possibility of control as a function of the pH. The results indicate that the alkalinity release from particle suspensions followed a mineral dissolution mechanism that could not explain the rate of the alkalinity release of the encapsulated particles. The reduction in mineral dissolution rates observed with the encapsulated particles was found to result from a mass transfer limitation. This limitation was well described using a linear driving force expression to account for the resistance to mass transfer at the oil–water interface.

EVO↗