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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Long-term durability test of highly efficient membrane electrode assemblies for anion exchange membrane seawater electrolyzers

Direct seawater electrolysis faces fundamental electrochemical challenges, such as suppression of chlorine adsorption and/or evolution reactions that poison the current state-of-the-art anode catalysts and accelerate the degradation of the anion exchange membrane (AEM). The technically favored solution path for addressing these issues includes development of novel selective catalysts and implementation of limited operating conditions. Therefore, development of highly active, selective, cost-effective, and stable seawater-splitting catalysts is required for a successful commercialization of the AEM water electrolyzers (AEMWEs). In this work, we report for the first-time an extended operation for over 1000 h of advanced AEMWEs, operating directly with seawater. To fabricate the membrane electrode assemblies (MEAs), catalyst coated electrodes (CCEs) are assembled with Sustainion® X37-50 grade T anion exchange membranes. The anode CCEs are fabricated by spraying an ink prepared from nanostructured NiFe-layered double hydroxide (LDH) catalyst that are synthesized by the solvothermal method and deposited directly onto platinized titanium porous transport layers (PTLs). The cathode CCEs are prepared by spraying an ink prepared from commercial Renay-Nickel catalyst onto a nickel fiber felt. As prepared AEM electrolyzer cells operated with seawater and demonstrated better than previously reported in the literature performance of over 1000 h of operation at a constant current density of 300 mA cm –2 .

25 ENERGY STORAGE↗
NASA NTRS1995

Microgravity combustion of dust clouds: Quenching distance measurements

The current level of physical understanding of dust combustion phenomena is still in a rudimentary state compared with the understanding of gas combustion processes. The reason for such a lack of fundamental understanding is partially based on the complexity of multiphase combustion and the enormous diversity of chemical-physical properties of heterogeneous combustible mixtures but is largely due to difficulties in the experimental investigation of dust combustion. The influence of gravity on a dust suspension is the main reason. First of all, when particulates (either solid particles or liquid droplets) with a characteristic size of the order of tens of microns are suspended, they rapidly settle in the gravitational field. To maintain a particulate suspension for a time duration adequate to carry out combustion experiments invariably requires continuous convection of particulates at or in excess of the gravitational settling velocity. Of necessity, this makes the experiments turbulent in character and makes it impossible to study laminar dust flames. For particle sizes of the order of microns a stable laminar dust flow can be maintained only for relatively small dust concentrations (e.g., for low fuel equivalence ratios) at normal gravity conditions. High dust loading leads to gravitational instability of the dust cloud and to the formation of recirculation cells in a dust suspension in a confined volume, or to the rapid sedimentation of the dense dust cloud as a whole in an unconfined volume. In addition, many important solid fuels such as low volatile coal, carbon, and boron have low laminar flame speeds (of the order of several centimeters per second). Gravitational convection that occurs in combustion products due to the buoyancy forces disrupts low speed dust flames and, therefore, makes observation of such flames at normal gravity impossible. The only way to carry out 'clean' fundamental experiments in dust combustion over a wide range of dust cloud parameters is in a gravity-free environment. Access to the microgravity environment provided by the use of large-scale drop towers, parabolic flights of aircraft and rockets, and shuttle and space station orbits has permitted now to proceed with a systematic program of dust combustion microgravity research. For example, the NASA-Lewis drop tower and a Lear jet parabolic flight aircraft were used by Ross et al. and by Berlad and Tangirala for experiments with Iycopodium/air mixtures. The Japan Microgravity Center drop shaft (JAMIC) where a microgravity condition of 10(exp -4) g for 10 s is available, was recently used by Kobayashi, Niioka et al. for measuring flame propagation velocities in polymethyl methacrylate dust/air suspensions. Microgravity dust combustion experiments were started at McGill University in the early 90's under the sponsorship of the Canadian Space Agency. Several generations of dust combustion platforms permitting dust combustion microgravity experiments to be carried out on board a parabolic flight aircraft (KC-135, NASA) have been designed and tested. The experimental data and experience gained from this research allowed us to design and build in a current phase of this program the microgravity apparatus for the visual observation of freely propagating constant pressure laminar dust flames. Quenching distances in aluminum dust suspensions have been measured in a wide range of dust cloud parameters in ground-based experiments and in recent microgravity experiments (KC-135 parabolic flights, Houston, February 1995).

Goroshin, S.↗
NASA NTRS2001

Carbon Nanotubes in Water: MD Simulations of Internal and External Flow, Self Organization

We have developed computational tools, based on particle codes, for molecular dynamics (MD) simulation of carbon nanotubes (CNT) in aqueous environments. The interaction of CNTs with water is envisioned as a prototype for the design of engineering nano-devices, such as artificial sterocillia and molecular biosensors. Large scale simulations involving thousands of water molecules are possible due to our efficient parallel MD code that takes long range electrostatic interactions into account. Since CNTs can be considered as rolled up sheets of graphite, we expect the CNT-water interaction to be similar to the interaction of graphite with water. However, there are fundamental differences between considering graphite and CNTs, since the curvature of CNTs affects their chemical activity and also since capillary effects play an important role for both dynamic and static behaviour of materials inside CNTs. In recent studies Gordillo and Marti described the hydrogen bond structure as well as time dependent properties of water confined in CNTs. We are presenting results from the development of force fields describing the interaction of CNTs and water based on ab-initio quantum mechanical calculations. Furthermore, our results include both water flows external to CNTs and the behaviour of water nanodroplets inside heated CNTs. In the first case (external flows) the hydrophobic behaviour of CNTs is quantified and we analyze structural properties of water in the vicinity of CNTs with diagnostics such as hydrogen bond distribution, water dipole orientation and radial distribution functions. The presence of water leads to attractive forces between CNTs as a result of their hydrophobicity. Through extensive simulations we quantify these attractive forces in terms of the number and separation of the CNT. Results of our simulations involving arrays of CNTs indicate that these exhibit a hydrophobic behaviour that leads to self-organising structures capable of trapping water clusters. In the second case (internal flows) we study the behaviour of water droplets confined inside CNTs. Constant temperature simulations allow us to capture structural properties such as the contact angles and density profiles of the equilibrated drops. By heating and subsequently cooling of the CNT, we are able to measure the evaporation and the condensation rate of the entrapped water.

Jaffe, Richard L.↗
NASA NTRS2004

Dust Accumulation and Solar Panel Array Performance on the Mars Exploration Rover (MER) Project

One of the most fundamental design considerations for any space vehicle is its power supply system. Many options exist, including batteries, fuel cells, nuclear reactors, radioisotopic thermal generators (RTGs), and solar panel arrays. Solar arrays have many advantages over other types of power generation. They are lightweight and relatively inexpensive, allowing more mass and funding to be allocated for other important devices, such as scientific instruments. For Mars applications, solar power is an excellent option, especially for long missions. One might think that dust storms would be a problem; however, while dust blocks some solar energy, it also scatters it, making it diffuse rather than beamed. Solar cells are still able to capture this diffuse energy and convert it into substantial electrical power. For these reasons, solar power was chosen to be used on the 1997 Mars Pathfinder mission. The success of this mission set a precedent, as NASA engineers have selected solar power as the energy system of choice for all future Mars missions, including the Mars Exploration Rover (MER) Project. Solar sells have their drawbacks, however. They are difficult to manufacture and are relatively fragile. In addition, solar cells are highly sensitive to different parts of the solar spectrum, and finding the correct balance is crucial to the success of space missions. Another drawback is that the power generated is not a constant with respect to time, but rather changes with the relative angle to the sun. On Mars, dust accumulation also becomes a factor. Over time, dust settles out of the atmosphere and onto solar panels. This dust blocks and shifts the frequency of the incoming light, degrading solar cell performance. My goal is to analyze solar panel telemetry data from the two MERs (Spirit and Opportunity) in an effort to accurately model the effect of dust accumulation on solar panels. This is no easy process due to the large number of factors involved. Changing solar flux (the amount of solar energy reaching the planet), solar spectrum, solar angle, rover tilt, and optical depth (the opacity of the atmosphere due to dust) were the most significant. Microsoft Excel and Visual Basic are used for data analysis. The results of this work will be used to improve the dust accumulation and atmosphere effects model that was first created after the Mars Pathfinder mission. This model will be utilized and applied when considering the design of solar panel array systems on future Mars projects. Based on this data, and depending upon the tenure and application of the mission, designers may also elect to employ special tools to abate dust accumulation, or decide that the expected level of accumulation is acceptable.

Turgay, Eren H.↗
DOE OSTI2024

Influence of Ordered Mesoporous Oxides in Plasma-Assisted Ammonia Synthesis

Widespread implementation of dielectric barrier discharge (DBD)-assisted NH 3 synthesis, a nascent technology operating under sustainable, ambient conditions, is hindered by low energy yields due to, in part, poor fundamental understanding. Porous oxides used to support metal nanoparticle catalysts have shown significant energy yield contributions for DBD-assisted NH 3 synthesis even without metal. Using an AC-powered, coaxial, single-stage reactor at 16 kV with equimolar (N 2 /H 2 ) feed, we measured NH 3 synthesis rates in the presence of different nonordered oxides, ordered SiO 2 structures (SBA-15 and MCM-41), and ordered Al-incorporated analogues (γ-Al 2 O 3 -coated with varying Al-loadings and Al-substitution, respectively: Al 2 O 3 -SBA-15 and Al-MCM-41). We systematically quantified NH 3 energy yield dependence on pore structures and material identities (i.e., ordered pores and Al incorporation) known to facilitate higher DBD-assisted NH 3 synthesis rates. SBA-15 displayed a higher steady-state energy yield than MCM-41, indicating that framework type is a crucial factor, with both ordered porous systems outperforming fumed SiO 2 . 10 wt % Al maximized in situ NH 3 uptake among the various Al loadings, exhibiting a higher steady-state energy yield and similar power to SBA-15. However, Al-MCM-41 had a similar steady-state energy yield and lower power than MCM-41, likely due to the extended γ-Al 2 O 3 surface that has a dielectric constant higher than that of SiO 2 . Both Al-incorporated analogues benefit from surface acid sites that can adsorb NH 3 in situ, resulting in higher overall NH 3 energy yields than that of their parent ordered SiO 2 . Al 2 O 3 -SBA-15 shielded more NH 3 than Al-MCM-41, likely due to a higher acid site density than the acid site identity. Furthermore, Al incorporation via γ-Al 2 O 3 coating more successfully improves the NH 3 energy yield; together with the high-performing ordered framework, these analogues are potential metal catalyst supports with promising energy yields for DBD-assisted synthesis of NH 3 and other chemicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Operational space for lower hybrid heating scenarios in the full tungsten environment of WEST

In tungsten—W—Environment in Steady-state Tokamak (WEST), the lower hybrid current drive (LHCD) system is key for achieving long pulse operation by providing most of the non-inductive plasma current, as well as a crucial source of electron heating. Therefore, determining the operational space for its application is fundamental. In the present study, the LHCD operational space is deeply analyzed for 0.5 MA pulses. This space is bounded by three limits: (i) the ratio of the LHCD power over density must be above a threshold to compensate tungsten radiation with enough core heating, (ii) the line-averaged density must be high enough to allow good coupling of the hybrid wave with the plasma, and (iii) fast electron ripple losses must be below a limit to avoid reaching a thermal threshold on plasma-facing components. If the tungsten radiation peak or burn-through phase is not safely overcome, a maximum electron temperature of 1.5 keV is obtained, confinement is degraded, and magnetohydrodynamic activity is frequently triggered, potentially causing a disruption. From experimental measurements and interpretative simulations, we highlight the main mechanisms that prevent the plasma from heating up during LHCD power ramp-up. Three parameters play a major role: plasma density, tungsten concentration and LHCD power deposition. A strategy to overcome this limitation is found: a precise density ramp-up performed simultaneously with the increase in LHCD power. Additionally, we show that boronization greatly facilitates the burn-through of tungsten by lowering its content during the heating phase. Finally, taking into account the three constraints given above, the LHCD operational space is determined at power ramp-up and during constant heating phases.

lower hybrid heating and current drive↗
NASA NTRS2015

Characterizing the Effects of a Vertical Time Threshold for a Class of Well-Clear Definitions

A fundamental requirement for the integration of unmanned aircraft into civil airspace is the capability of aircraft to remain well clear of each other and avoid collisions. This requirement has led to a broad recognition of the need for an unambiguous, formal definition of well clear. It is further recognized that any such definition must be interoperable with existing airborne collision avoidance systems (ACAS). A particular class of well-clear definitions uses logic checks of independent distance thresholds as well as independent time thresholds in the vertical and horizontal dimensions to determine if a well-clear violation is predicted to occur within a given time interval. Existing ACAS systems also use independent distance thresholds, however a common time threshold is used for the vertical and horizontal logic checks. The main contribution of this paper is the characterization of the effects of the decoupled vertical time threshold on a well-clear definition in terms of (1) time to well-clear violation, and (2) interoperability with existing ACAS. The paper provides governing equations for both metrics and includes simulation results to illustrate the relationships. In this paper, interoperability implies that the time of well-clear violation is strictly less than the time a resolution advisory is issued by ACAS. The encounter geometries under consideration in this paper are initially well clear and consist of constant-velocity trajectories resulting in near-mid-air collisions.

Upchurch, Jason M.↗
DOE OSTI2021

Future changes in isoprene-epoxydiol-derived secondary organic aerosol (IEPOX SOA) under the Shared Socioeconomic Pathways: the importance of physicochemical dependency

Abstract. Secondary organic aerosol (SOA) is a dominant contributor of fine particulate matter in the atmosphere, but the complexity of SOA formation chemistry hinders the accurate representation of SOA in models. Volatility-based SOA parameterizations have been adopted in many recent chemistry modeling studies and have shown a reasonable performance compared to observations. However, assumptions made in these empirical parameterizations can lead to substantial errors when applied to future climatic conditions as they do not include the mechanistic understanding of processes but are rather fitted to laboratory studies of SOA formation. This is particularly the case for SOA derived from isoprene epoxydiols (IEPOX SOA), for which we have a higher level of understanding of the fundamental processes than is currently parameterized in most models. We predict future SOA concentrations using an explicit mechanism and compare the predictions with the empirical parameterization based on the volatility basis set (VBS) approach. We then use the Community Earth System Model 2 (CESM2.1.0) with detailed isoprene chemistry and reactive uptake processes for the middle and end of the 21st century under four Shared Socioeconomic Pathways (SSPs): SSP1–2.6, SSP2–4.5, SSP3–7.0, and SSP5–8.5. With the explicit chemical mechanism, we find that IEPOX SOA is predicted to increase on average under all future SSP scenarios but with some variability in the results depending on regions and the scenario chosen. Isoprene emissions are the main driver of IEPOX SOA changes in the future climate, but the IEPOX SOA yield from isoprene emissions also changes by up to 50 % depending on the SSP scenario, in particular due to different sulfur emissions. We conduct sensitivity simulations with and without CO2 inhibition of isoprene emissions that is highly uncertain, which results in factor of 2 differences in the predicted IEPOX SOA global burden, especially for the high-CO2 scenarios (SSP3–7.0 and SSP5–8.5). Aerosol pH also plays a critical role in the IEPOX SOA formation rate, requiring accurate calculation of aerosol pH in chemistry models. On the other hand, isoprene SOA calculated with the VBS scheme predicts a nearly constant SOA yield from isoprene emissions across all SSP scenarios; as a result, it mostly follows isoprene emissions regardless of region and scenario. This is because the VBS scheme does not consider heterogeneous chemistry; in other words, there is no dependency on aerosol properties. The discrepancy between the explicit mechanism and VBS parameterization in this study is likely to occur for other SOA components as well, which may also have dependencies that cannot be captured by VBS parameterizations. This study highlights the need for more explicit chemistry or for parameterizations that capture the dependence on key physicochemical drivers when predicting SOA concentrations for climate studies.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1999

Effects of Microgravity on the Formation of Aerogels

This paper describes research to investigate fundamental aspects of the effects of microgravity on the formation of the microstructure of metal oxide alcogels and aerogels. We are studying the role of gravity on pore structure and gel uniformity in collaboration with Marshall Space Flight Center (MSFC) on gelling systems under microgravity conditions. While this project was just initiated in May 1998, related research performed earlier is described along with the plans and rationale for the current microgravity investigation to provide background and describe newly developing techniques that should be useful for the current gellation studies. The role of gravity in materials processing must be investigated through the study of well-mastered systems. Sol-gel processed materials are near-perfect candidates to determine the effect of gravity on the formation and growth of random clusters from hierarchies of aggregated units. The processes of hydrolysis, condensation, aggregation and gellation in the formation of alcogels are affected by gravity and therefore provide a rich system to study under microgravity conditions. Supercritical drying of the otherwise unstable wet alcogel preserves the alcogel structure produced during sol-gel processing as aerogel. Supercritically dried aerogel provides for the study of material microstructures without interference from the effects of surface tension, evaporation, and solvent flow. Aerogels are microstructured, low density open-pore solids. They have many unusual properties including: transparency, excellent thermal resistance, high surface area, very low refractive index, a dielectric constant approaching that of air, and extremely low sound velocity. Aerogels are synthesized using sol-gel processing followed by supercritical solvent extraction that leaves the original gel structure virtually intact. These studies will elucidate the effects of microgravity on the homogeneity of the microstructure and porosity of aerogel. The presence of poorly controlled microporosity in aerogel leads to material non-uniformity that gives rise to increased light scattering. Investigation of the effect of gravity driven solute flows within microclusters and their effect on condensation and agglomeration reactions will enable us to improve the preparation and properties of aerogel. Increased clarity of images viewed through aerogel and decreased scattering from the pores of aerogel will significantly improve the prospects for large-scale adoption of aerogel in such applications as transparent insulating windows, high performance thermal insulation, and Cherenkov detectors.

Hunt, A. J.↗
NASA NTRS2005

Near-Earth Object (NEO) Hazard Background

The fundamental problem regarding NEO hazards is that the Earth and other planets, as well as their moons, share the solar system with a vast number of small planetary bodies and orbiting debris. Objects of substantial size are typically classified as either comets or asteroids. Although the solar system is quite expansive, the planets and moons (as well as the Sun) are occasionally impacted by these objects. We live in a cosmic shooting gallery where collisions with Earth occur on a regular basis. Because the number of smaller comets and asteroids is believed to be much greater than larger objects, the frequency of impacts is significantly higher. Fortunately, the smaller objects, which are much more numerous, are usually neutralized by the Earth's protective atmosphere. It is estimated that between 1000 and 10,000 tons of debris fall to Earth each year, most of it in the form of dust particles and extremely small meteorites. With no atmosphere, the Moon's surface is continuously impacted with dust and small debris. On November 17 and 18, 1999, during the annual Leonid meteor shower, several lunar surface impacts were observed by amateur astronomers in North America. The Leonids result from the Earth's passage each year through the debris ejected from Comet Tempel-Tuttle. These annual showers provide a periodic reminder of the possibility of a much more consequential cosmic collision, and the heavily cratered lunar surface acts a constant testimony to the impact threat. The impact problem and those planetary bodies that are a threat have been discussed in great depth in a wide range of publications and books, such as The Spaceguard Survey , Hazards Due to Comets and Asteroids, and Cosmic Catastrophes. This paper gives a brief overview on the background of this problem and address some limitations of ground-based surveys for detection of small and/or faint near-Earth objects.

Mazanek, Daniel D.↗
NASA NTRS1999

A Study of Nucleate Boiling with Forced Convection in Microgravity

The ultimate objective of basic studies of flow boiling in microgravity is to improve the understanding of the processes involved, as manifested by the ability to predict its behavior. This is not yet the case for boiling heat transfer even in earth gravity, despite the considerable research activity over the past 30 years. The elements that constitute the nucleate boiling process - nucleation, growth, motion, and collapse of the vapor bubbles (if the bulk liquid is subcooled) - are common to both pool and flow boiling. It is well known that the imposition of bulk liquid motion affects the vapor bubble behavior relative to pool boiling, but does not appear to significantly influence the heat transfer. Indeed, it has been recommended in the past that empirical correlations or experimental data of pool boiling be used for design purposes with forced convection nucleate boiling. It is anticipated that such will most certainly not be possible for boiling in microgravity, based on observations made with pool boiling in microgravity. In earth gravity buoyancy will act to remove the vapor bubbles from the vicinity of the heater surface regardless of how much the imposed bulk velocity is reduced, depending, of course, on the geometry of the system. Vapor bubbles have been observed to dramatically increase in size in pool boiling in microgravity, and the heat flux at which dryout took place was reduced considerably below what is generally termed the critical heat flux (CHF) in earth gravity, depending on the bulk liquid subcooling. However, at heat flux levels below dryout, the nucleate pool boiling process was enhanced considerably over that in earth gravity, in spite of the large vapor bubbles formed in microgravity and perhaps as a consequence. These large vapor bubbles tended to remain in the vicinity of the heater surface, and the enhanced heat transfer appeared to be associated with the presence of what variously has been referred to as a liquid microlayer between the bubble and the heater surface. The enhancement of the boiling process with low velocities in earth gravity for those orientations producing the formation of a liquid macrolayer described above, accompanied by "sliding" vapor bubbles, has been demonstrated. The enhancement was presented as a function of orientation, subcooling, and heated length, while a criterion for the heat transfer for mixed natural/forced convection nucleate boiling was given previously. A major unknown in the prediction and application of flow boiling heat transfer in microgravity is the upper limit of the heat flux for the onset of dryout (or critical heat flux - CHF), for given conditions of fluid-heater surfaces, including geometry, system pressure and bulk liquid subcooling. It is clearly understood that the behavior in microgravity will be no different than on earth with sufficiently high flow velocities, and would require no space experimentation. However, the boundary at which this takes place is still an unknown. Previous results of CHF measurements were presented for low velocity flow boiling at various orientations in earth gravity as a function of flow velocity and bulk liquid subcooling, along with preliminary measurements of bubble residence times on a flat heater surface. This showed promise as a parameter to be used in modeling the CHF, both in earth gravity and in microgravity. The objective of the work here is to draw attention to and show results of current modeling efforts for the CHF, with low velocities in earth gravity at different orientations and subcoolings. Many geometrical possibilities for a heater surface exist in flowing boiling, with boiling on the inner and outer surfaces of tubes perhaps being the most common. If the vapor bubble residence time on and departure size from the heater surface bear a relationship to the CHF, as results to be given indicate, it is important that visualization of and access to vapor bubble growth be conveniently available for research purposes. In addition, it is desirable to reduce the number of variables as much as possible in a fundamental study. These considerations dictated the use of a flat heater surface, which is rectangular in shape, 1.91 cm by 3.81 cm (0.75 x 1.5 inches), consisting either of a 400 Angstrom thick semi-transparent gold film sputtered on a quartz substrate which serves simultaneously as a heater and a resistance thermometer, or a copper substrate of the same size. The heater substrate is a disc which can be rotated so that the heated length in the flow direction can be changed from 1.91 to 3.81 cm (0.75 to 1.5 inches). The fluid is R-113, and the velocities can be varied between 0.5 cm/s and 60 cm/s. For a sufficiently low velocity the CHF can be modeled reasonably well at various orientations by the correlation for pool boiling corrected for the influence of bulk liquid subcooling, multiplied by the square root of q, the angle relative to horizontal. This arises from equating buoyancy and drag forces in the inverted positions where the vapor bubbles are held against the heater surface as they slide. A distortion of the measurements relative to pool boiling occurs as the flow velocity increases. In modeling this effect at different levels of subcooling it appeared appropriate to estimate the volumetric rate of vapor generation, using measurements of bubble frequency (or residence time), void fraction and average bubble boundary layer thickness. These were determined with the use of a platinum hot wire probe 0.025 mm in diameter by 1.3 mm long, applying a constant current to distinguish between contact with liquid or vapor. Two-dimensional spatial variations are obtained with a special mechanism to resolve displacements in increments of 0.025 mm. From such measurements it was determined that the fraction of the surface heat transfer resulting in evaporation varies inversely with the subcooling correction factor for the CHF. The measured inverse bubble residence time is normalized relative to that predicted for an infinite horizontal flat plate at the CHF, and is correlated well with the CHF normalized relative to that for pool boiling, for various orientation angles and subcooling levels. This correspondence is then combined with a normalizing factor for the energy flux leaving the heater surface at the CHF and the computed bubble radius at departure, determined from the balance between the outward velocity of the interface due to evaporation and the buoyance induced velocity of the center of mass of the bubble. The product of the CHF and the corresponding residence time was determined to be a constant for all orientations at a given bulk flow velocity and liquid subcooling, and must be determined empirically for each velocity and subcooling at present. It then becomes possible to predict the CHF for the different orientations, velocities, and subcoolings. These are compared with normalized measurements of the CHF for velocities ranging from 4 cm/s to 55 cm/s, subcoolings from 2.8 to 22.2 K, over orientations angles of 360 degrees.

Merte, Herman, Jr.↗
NASA NTRS2007

Predicting Rocket or Jet Noise in Real Time

A semi-empirical theoretical model and a C++ computer program that implements the model have been developed for use in predicting the noise generated by a rocket or jet engine. The computer program, entitled the Realtime Rocket and Jet Engine Noise Analysis and Prediction Software, is one of two main subsystems of the Acoustic Prediction/Measurement Tool, which comprises software, acoustic instrumentation, and electronic hardware combined to afford integrated capabilities for real-time prediction and measurement of noise emitted by rocket and jet engines. [The other main subsystem, consisting largely of acoustic instrumentation and electronic hardware, is described in Wireless Acoustic Measurement System, which appears elsewhere in this section.] The theoretical model was derived from the fundamental laws of fluid mechanics, as first was done by M. J. Lighthill in his now famous theory of aerodynamically generated sound. The far-field approximation of the Lighthill theory is incorporated into this model. Many other contributions from various researchers have also been introduced into the model. The model accounts for two noise components: shear noise and self noise. The final result of the model is expressed in terms of a volume integral of the acoustic intensities attributable to these two components, subject to various directivity coefficients. The computer program was written to solve the volume integral. The inputs required by the program are two data files from a computational fluid dynamics (CFD) simulation of the flow of interest: the computational-grid file and the solution file. The CFD solution should be one that has been obtained for conditions that closely approximate those of an experimental test that is yet to be performed. In the current state of development of the model and software, it is recommended that the observation points lie along a radius at an angle >60 from the jet axis. The software provides, and is driven via, a graphical user interface, which facilitates its use. Optionally, the program accepts additional input in the form of data on the measured sound pressure level as a function of frequency at a given far-field location, preferably at an angle of 90 from the jet axis. The user is prompted to use default empirical constants or to choose constants based the measurement data. The user can view the results and compare them with other computational or experimental data. Once satisfied with the results, the user can save a graph of the results in a file that can be imported into documents.

Frendi, Kader↗
DOE OSTI2024

In-cylinder spray evolution in a motored central-injection gasoline engine: Imaging and simulating the effects of flash-boiling and intake crossflow

Accurate predictions of fuel spray behavior and mixture formation in simulations of direct-injection spark-ignition (DISI) engines are fundamental to ensure proper description of all subsequent processes including ignition, combustion, and emissions. In this work, the spray evolution in a single-cylinder optical DISI engine was studied experimentally and numerically with the goal of enabling predictive computational fluid dynamics (CFD) modeling of in-cylinder sprays. The authors explored a wide range of operating conditions characterized by several fuel injection temperatures and engine speeds, using a well-characterized nine-component gasoline surrogate known as PACE-20. The effect of flash boiling and intake crossflow on the spray is discussed, with a focus on evaluating the ability of the spray models to capture highly transient spray behavior. In the experiments, the fuel temperature was varied between 20°C and 80°C, allowing for non-flash- to flash-boiling transition to emerge with enhanced flashing intensity at the highest temperatures. Spray collapse resulted in vapor-rich regions, owing to the locally lower inertia of the fluid. Varying the engine speed from 650 to 1950 rpm promoted increasingly more turbulent in-cylinder crossflow which interacted with the spray during the injection event and resulted in enhanced spray dispersion. The CFD model was able to capture the spray morphology transition at different fuel temperatures and engine speeds adequately. Further, it is shown that the spray breakup model could capture the transitional spray behavior induced by flash boiling atomization and intake flow via proper initialization of the spray cone angle and calibration of the spray models’ constants.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Mass Transport Limitations and Kinetic Consequences of Corn Stover Deacetylation

Alkaline pretreatment of herbaceous feedstocks such as corn stover prior to mechanical refining and enzymatic saccharification improves downstream sugar yields by removing acetyl moieties from hemicellulose. However, the relationship between transport phenomena and deacetylation kinetics is virtually unknown for such feedstocks and this pretreatment process. Here, we report the development of an experimentally validated reaction–diffusion model for the deacetylation of corn stover. A tissue-specific transport model is used to estimate transport-independent kinetic rate constants for the reactive extraction of acetate, hemicellulose and lignin from corn stover under representative alkaline conditions (5–7 g L -1 NaOH, 10 wt% solids loadings) and at low to mild temperatures (4–70°C) selected to attenuate individual component extraction rates under differential kinetic regimes. The underlying transport model is based on microstructural characteristics of corn stover derived from statistically meaningful geometric particle and pore measurements. These physical descriptors are incorporated into distinct particle models of the three major anatomical fractions (cobs, husks and stalks) alongside an unsorted, aggregate corn stover particle, capturing average Feret lengths of 917–1239 μm and length-to-width aspect ratios of 1.8–2.9 for this highly heterogeneous feedstock. Individual reaction–diffusion models and their resulting particle model ensembles are used to validate and predict anatomically-specific and bulk feedstock performance under kinetic-controlled vs. diffusion-controlled regimes. In general, deacetylation kinetics and mass transfer processes are predicted to compete on similar time and length scales, emphasizing the significance of intraparticle transport phenomena. Critically, we predict that typical corn stover particles as small as ~2.3 mm in length are entirely diffusion-limited for acetate extraction, with experimental effectiveness factors calculated to be 0.50 for such processes. Debilitatingly low effectiveness factors of 0.021–0.054 are uncovered for cobs—implying that intraparticle mass transfer resistances may impair observable kinetic measurements of this anatomical fraction by up to 98%. These first-reported quantitative maps of reaction vs. diffusion control link fundamental insights into corn stover anatomy, biopolymer composition, practical size reduction thresholds and their kinetic consequences. These results offer a guidepost for industrial deacetylation reactor design, scale-up and feedstock selection, further establishing deacetylation as a viable biorefinery pretreatment for the conversion of lignocellulosics into value-added fuels and chemicals.

09 BIOMASS FUELS↗
NASA NTRS1995

Cosmological implications of ROSAT observations of groups and clusters of galaxies

We have combined ROSAT Position Sensitive Proportional Counter (PSPC) and optical observations of a sample of groups and clusters of galaxies to determine the fundamental parameters of these systems (e.g., the dark matter distribution, gas mass fraction, baryon mass fraction, mass-to-light ratio, and the ratio of total-to-luminous mass). Imaging X-ray spectroscopy of groups and clusters show that the gas is essentially isothermal beyond the central region, indicating that the total mass density (mostly dark matter) scales as rho(sub dark) varies as 1/r squared. The density profile of the hot X-ray emitting gas is fairly flat in groups with rho(sub gas) varies as 1/r and becomes progressively steeper in hotter richer systems, with rho(sub gas) varies as 1/r squared in the richest clusters. These results show, that in general, the hot X-ray-emitting gas is the most extended mass component in groups and clusters, the galaxies are the most centrally concentrated component, and the dark matter is intermediate between the two. The flatter density rofile of the hot gas compared to the dark matter produces a gas mass fraction that increases with radius within each object. There is also a clear trend of increasing gas mass fraction (from 2% to 30%) between elliptical galaxies and rich clusters due to the greater detectable extent of the X-ray emission in richer systems. For the few systems in which the X-ray emission can be traced to the virial radius (where the overdensity delta is approximately equal 200), the gas mass fraction (essentially the baryon mass fraction) approaches a roughly constant value of 30%, suggesting that this is the true primordial value. Based on standard big bang nucleosynthesis, the large baryon mass fraction implies that Omega = 0.1 - 0.2. The antibiased gas distribution suggests that feedback from galaxy formation and hydrodynamics play important roles in the formation of structure on the scale of galaxies to rich clusters. All the groups and clusters in our sample have mass-to-light ratios of M/L(sub V) approximately 100 - 150 solar mass/solar luminosity, which strongly contrasts with the traditional view that the mass-to-light ratio of rich clusters is significantly greater than individual galaxies or groups with M/L(sub V) approximately 250 - 300 solar mass/solar luminosity. We also show that M/L(sub V is essentially constant within the virial radius of clusters (where delta is greater than or approximately 200), which is consistent with the peaks formalism of biased galaxy formation. While the mass-to-light ratios of groups and clusters are comparable (indicating a constant mass fraction of optically luminous material), the ratio of the total mass-to-luminous mass (gas plus stars) monotonically decreases between galaxies and clusters. The decrease in M(sub total)/M(sub lum) arises from two factors: (1) the composition of baryonic matter varies from a predominance of optically luminous material (stars) on the scale of galaxies (approximately 10 kpc) to a predominance of X-ray luminous material (hot gas) on the scale of rich clusters (approximately 1 Mpc), and (2) the hot gas has a more extended spatial distribution than the gravitating matter. The observed decrease M(sub total)/M(sub lum) between galaxies and clusters indicates that the universe actually becomes `brighter' on mass scales between 10(exp 12) and 10(exp 15) solar mass, in the sense that a greater fraction of the gravitating mass is observable.

David, Laurence P.↗
DOE OSTI2023

Preservation of kinetics parameters generated by Monte Carlo calculations in two-step deterministic calculations

The generation of accurate kinetic parameters such as mean generation time Λ and effective delayed neutron fraction β eff via Monte Carlo codes is established. Employing these in downstream deterministic codes warrants another step to ensure no additional error is introduced by the low-order transport operator when computing forward and adjoint fluxes for bilinear weighting of these parameters. Another complexity stems from applying superhomogenization (SPH) equivalence in non-fundamental mode approximations, where reference and low-order calculations rely on a 3D full core model. In these cases, SPH factors can optionally be computed for only part of the geometry while preserving reaction rates and K-effective, but the impact of such approximations on kinetics parameters has not been thoroughly studied. This paper aims at studying the preservation of bilinearly-weighted quantities in the Serpent–Griffin calculation procedure. Diffusion and transport evaluations of IPEN/MB-01, Godiva, and Flattop were carried out with the Griffin reactor physics code, testing available modeling options using Serpent-generated multigroup cross sections and equivalence data. Verifying Griffin against Serpent indicates sensitivities to multigroup energy grid selection and regional application of SPH equivalence, introducing significant errors; these were demonstrated to be reduced through the use of a transport method together with a finer energy grid.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Autoignition behavior of gasoline/ethanol blends at engine-relevant conditions

Ethanol is an attractive oxygenate increasingly used for blending with petroleum-derived gasoline yielding beneficial combustion and emissions behavior for a range of internal combustion engine schemes, including stoichiometric spark-ignition and low temperature combustion (LTC). As such, it is important to fundamentally understand the autoignition behavior of gasoline/ethanol blends. This work utilizes a rapid compression machine (RCM) and a homogeneous charge compression ignition (HCCI) engine to experimentally quantify changes in fuel reactivity, through ignition delay times and preliminary heat release, for blends of 0 to 30% vol./vol. into a full boiling range research gasoline (FACE-F). Diluted/stoichiometric and undiluted/fuel-lean conditions are explored covering a wide range of compressed temperatures and pressures relevant to conventional and advanced, gasoline combustion engines. Detailed chemical kinetic modeling is undertaken using a recently updated gasoline surrogate model in conjunction with a five-component surrogate to model the RCM experiments and provide chemical insight into the perturbative effects of ethanol on the autoignition process. The diluted/stoichiometric RCM measurements reveal that within the low-temperature regime ethanol retards first-stage and main ignition delay times, and suppresses both the rates and extents of low-temperature heat release (LTHR), while within the intermediate-temperature regime ethanol only causes slight changes. Good agreement of ignition delay time and preliminary heat release prediction is found between model and experimental results. Sensitivity and flux analyses further show that ethanol blending effects are dominated by the competition between the H-atom abstraction from ethanol and other fuel components by OH radical at low temperatures and by HO 2 radical at intermediate temperatures. These findings are consistent across both fuel loading conditions explored in this study. In addition, when HCCI engine experiments are mapped onto undiluted/lean RCM measurements under a constant combustion phasing scenario, good correspondence between the two apparatuses is observed for LTHR and start of high-temperature heat release. Finally, the current study highlights the importance of characterizing LTHR in predicting fuel behaviors in high-boost/low-temperature engines, and demonstrates that RCM experiments can provide an alternative, and more-efficient avenue for such characterization.

02 PETROLEUM↗
NASA NTRS2014

James Webb Space Telescope: The First Light Machine

NASA James Webb Space Telescope (JWST) will search for the first luminous objects of the Universe to help answer fundamental questions about how the Universe came to look like it does today. At 6.5 meters in diameter, JWST will be the world's largest space telescope. Its architecture, e.g. aperture, wavelength range and operating temperature, is driven by JWST's science objectives. Introduction: Scheduled to start its 5 year mission after 2018, JWST will study the origin and evolution of galaxies, stars and planetary systems. Its science mission is to: Identify the first bright objects that formed in the early Universe, and follow the ionization history. Determine how galaxies form. Determine how galaxies and dark matter, including gas, stars, metals, overall morphology and active nuclei evolved to the present day. Observe the birth and early development of stars and the formation of planets. And, study the physical and chemical properties of solar systems for the building blocks of Life. Principle: To accomplish the JWST science objectives requires a larger aperture infrared cryogenic space telescope. A large aperture is required because the objects are very faint. The infrared spectral range is required because the objects are so far away that their ultraviolet and visible wavelength spectral lines are red-shifted into the infrared. Because the telescope is infrared, it needs to be cryogenic. And, because of the telescope is infrared, it must operate above the Earth's atmosphere, i.e. in space. JWST is probably the single most complicated mission that humanity has attempted. It is certainly the most difficult optical fabrication and testing challenge of our generation. The JWST 6.5 m diameter primary mirror is nearly a parabola with a conic constant of -0.9967 and radius of curvature at 30K of 15.880 m. The primary mirror is divided into 18 segments with 3 different prescriptions; each with its own off-axis distance and aspheric departure. The radius of curvature for all 18 segments must match to +/- 0.150 mm at 30K. JWST is diffraction limited at 2 micrometers which translates into a transmitted wavefront specification of 156 nm rms. Of that amount, 50 nm rms is allocated to the primary mirror. Each segment is allocated 22 nm rms surface error. At the start of the JWST program, the capability to make such a mirror did not exist. In 1996, NASA began a systematic and comprehensive mirror technology development effort which resulted in JWST. This program resulted in a qualified mirror fabrication process being approved in 2006. Today, all JWST primary mirror segments meet their requirements and are on schedule for a 2018 launch. The next step is system level assembly, integration and test. Ambient tests will be conducted at Goddard Space Flight Center and cryogenic system level testing will be performed in Chamber A at the Johnson Space Center.

Stahl, H. Philip↗