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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Ion Pairing and Molecular Orientation at Liquid/Liquid Interfaces: Self-Assembly and Function

We report that molecular orientation plays a pivotal role in defining the functionality and chemistry of interfaces, yet accurate measurements probing this important feature are few, due, in part, to technical and analytical limitations in extracting information from molecular monolayers. For example, buried liquid/liquid interfaces, where a complex and poorly understood balance of inter- and intramolecular interactions impart structural constraints that facilitate the formation of supramolecular assemblies capable of new functions, are difficult to probe experimentally. Here, we use vibrational sum-frequency generation spectroscopy, numerical polarization analysis, and atomistic molecular dynamics simulations to probe molecular orientations at buried oil/aqueous interfaces decorated with amphiphilic oligomers. We show that the orientation of self-assembled oligomers changes upon the addition of salts in the aqueous phase. The evolution of these structures can be described by competitive ion effects in the aqueous phase altering the orientations of the tails extending into the oil phase. These specific anionic effects occur via interfacial ion pairing and associated changes in interfacial solvation and hydrogen-bonding networks. These findings provide more quantitative insight into orientational changes encountered during self-assembly and pave the way for the design of functional interfaces for chemical separations, neuromorphic computing applications, and related biomimetic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1970

PC8B-4-X562 fuel cell electrical power supply, operations manual

The PC8B-4 fuel cell electrical power supply is an electrical powerplant designed to convert the chemical reaction of hydrogen and oxygen into electrical energy. It utilizes catalyzed electrodes with a potassium hydroxide electrolyte. The powerplant and test stand control unit are described together with a specifications summary. Separate sections deal with: performance, reactants supply and control, heat removal, water removal instrumentation, operation, and safety considerations.

Source record↗
NASA NTRS1994

Recycled galaxies in the colliding system Arp 105

Arp 105 of an infrared luminous starburst spiral being torn apart by a massive elliptical close to the center of a cluster of galaxies. The elliptical has already accreted gasrich objects and may be the precursor of a giant cD galaxy. At the tip of colossal tidal tails that emanate from the spiral we find a blue compact dwarf galacy and an irregular of Magellanic type. We propose that these small galaxies are recycled objects being formed out of the tidal debris from the spiral. In Arp 105 we observe that the collision has caused a marked spatial separation of the cold interstellar gas: more than 90% of the CO emission comes from the central region of the spiral, whereas more than 90% of the observed atomic hydrogen is situated beyond 30 kpc from the center of the spiral.

Duc, P.-A.↗
NASA NTRS1999

Flight Control Laws for NASA's Hyper-X Research Vehicle

The goal of the Hyper-X program is to demonstrate and validate technology for design and performance predictions of hypersonic aircraft with an airframe-integrated supersonic-combustion ramjet propulsion system. Accomplishing this goal requires flight demonstration of a hydrogen-fueled scramjet powered hypersonic aircraft. A key enabling technology for this flight demonstration is flight controls. Closed-loop flight control is required to enable a successful stage separation, to achieve and maintain the design condition during the engine test, and to provide a controlled descent. Before the contract award, NASA developed preliminary flight control laws for the Hyper-X to evaluate the feasibility of the proposed scramjet test sequence and descent trajectory. After the contract award, a Boeing/NASA partnership worked to develop the current control laws. This paper presents a description of the Hyper-X Research Vehicle control law architectures with performance and robustness analyses. Assessments of simulated flight trajectories and stability margin analyses demonstrate that these control laws meet the flight test requirements.

Davidson, J.↗
NASA NTRS2017

Neutral Gas Properties of Extremely Isolated Early-Type Galaxies

We present the results of single-dish atomic hydrogen (H I) observations of six highly isolated early-type galaxies. These objects are a representative subset of galaxies previously studied at optical wavelengths and selected to be separated by at least 2.5Mpc from companions brighter than M(sub V) =−16.5 mag. Each galaxy was observed with a single pointing using the NRAO Green Bank Telescope L-band receiver. Five of these systems were strongly detected in H I. These five galaxies exhibit H I profiles with a range of properties: single Gaussian-like peaks, separate double peaks, and double horn-like profiles. The four bluest galaxies (B−V<0.54) all contain significant gas with H I masses ranging from 1.1 × 10(exp 8) to 1.4 × 10(exp 9).

Ashley, Trisha L.↗
NASA NTRS1977

Multistack nickel-hydrogen units

A typical 625 Inconel pressure vessel, equipped with four thermocouples, has voltage taps not only for the cell, but for each of the several packs inside the container. In a two-stack design, a weld ring is used to separate the packs which, joined together, form one solid group. In the four-stack design, stacks are separated mechanically with about half inch Plexiglas and are connected through the center. Electrolytes are forced out by vacuum. The two stack design is intended for 500 psi and was pressure tested up to 1,000. The problem of electrolyte shorts is discussed and possible solutions for its correction are given.

Smith, J.↗
DOE OSTI2023

Stable Solid Molecular Hydrogen above 900 K from a Machine-Learned Potential Trained with Diffusion Quantum Monte Carlo

Here, we survey the phase diagram of high-pressure molecular hydrogen with path integral molecular dynamics using a machine-learned interatomic potential trained with quantum Monte Carlo forces and energies. Besides the HCP and C2/c–24 phases, we find two new stable phases both with molecular centers in the Fmmm–4 structure, separated by a molecular orientation transition with temperature. The high temperature isotropic Fmmm–4 phase has a reentrant melting line with a maximum at higher temperature (1450 K at 150 GPa) than previously estimated and crosses the liquid-liquid transition line around 1200 K and 200 GPa.

08 HYDROGEN↗
NASA NTRS1992

Experiments and analysis concerning the use of external burning to reduce aerospace vehicle transonic drag

The external combustion of hydrogen to reduce transonic drag was investigated. A control volume analysis is developed and indicates that the specific impulse performance of external burning is competitive with other forms of airbreathing propulsion and depends on the fuel-air ratio, freestream Mach number, and the severity of the base drag. A method is presented for sizing fuel injectors for a desired fuel-air ratio in the unconfined stream. A two-dimensional Euler analysis is also presented which indicates that the total axial force generated by external burning depends on the total amount of energy input and is independent of the transverse and streamwise distribution of heat addition. Good agreement between the Euler and control volume analysis is demonstrated. Features of the inviscid external burning flowfield are discussed. Most notably, a strong compression forms at the sonic line within the burning stream which may induce separation of the plume and prevent realization of the full performance potential. An experimental program was conducted in a Mach 1.26 free-jet to demonstrate drag reduction on a simple expansion ramp geometry, and verify hydrogen-air stability limits at external burning conditions. Stable combustion appears feasible to Mach number of between 1.4 and 2 depending on the vehicle flight trajectory. Drag reduction is demonstrated on the expansion ramp at Mach 1.26; however, force levels showed little dependence on fuel pressure or altitude in contrast to control volume analysis predictions. Various facility interference mechanisms and scaling issues were studied and are discussed.

Trefny, Charles J.↗
DOE OSTI2022

Gas-Phase Study of the Elementary Reaction of the D1-Ethynyl Radical (C 2 D; X 2 Σ + ) with Propylene (C 3 H 6 ; X 1 A') under Single-Collision Conditions

The bimolecular gas-phase reactions of the D1-ethynyl radical (C 2 D; X 2 Σ + ) with propylene (C 3 H 6 ; X 1 A’) and partially substituted D3-3,3,3-propylene (C 2 H 3 CD 3 ; X 1 A’) were studied under single collision conditions utilizing the crossed molecular beams technique. Combining our laboratory data with electronic structure and statistical calculations, the D1-ethynyl radical is found to add without barrier to the C1 and C2 carbons of the propylene reactant, resulting in doublet C 5 H 6 D intermediate(s) with lifetime(s) longer than their rotational period(s). These intermediates undergo isomerization and unimolecular decomposition via atomic hydrogen loss through tight exit transition states forming predominantly cis/trans-3-penten-1-yne ((HCC)CH=CH(CH 3 )) and to a minor amount 3-methyl-3-buten-1-yne ((HCC)C(CH 3 )=CH 2 ) via overall exoergic reactions. Although the title reaction does not lead to the cyclopentadiene molecule (c-C 5 H 6 , X 1 A 1 ), high temperature environments can convert the identified acyclic C 5 H 6 isomers through hydrogen atom assisted isomerization to cyclopentadiene (c-C 5 H 6 , X 1 A 1 ). Since both the ethynyl radical and propylene reactants have been observed in cold interstellar environments such as TMC-1 and the reaction is exoergic and all barriers lie below the energy of the separated reactants, the these C 5 H 6 product isomers are predicted to form in those low temperature regions.

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

Turning Rubber into a Glass: Mechanical Reinforcement by Microphase Separation

Supramolecular associations provide a promising route to functional materials with properties such as self-healing, easy recyclability or extraordinary mechanical strength and toughness. The latter benefit especially from the transient character of the formed network, which enables dissipation of energy as well as regeneration of the internal structures. However, recent investigations revealed intrinsic limitations in the achievable mechanical enhancement. Here we present studies of a set of telechelic polymers with hydrogen-bonding chain ends exhibiting an extraordinarily high, almost glass-like, rubbery plateau. This is ascribed to the segregation of the associative ends into clusters and formation of an interfacial layer surrounding these clusters. An approach adopted from the field of polymer nanocomposites provides a quantitative description of the data and reveals the strongly altered mechanical properties of the polymer in the interfacial layer. These results demonstrate how employing phase separating dynamic bonds can lead to the creation of high-performance materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Quasiparticle self-consistent GW band structures and phase transitions of LiAlO 2 in tetrahedrally and octahedrally coordinated structures

In this work, a first-principles computational study is presented of various phases of LiAlO 2 . The relative total energies and equations of state of the α, β, and γ phases are determined after structural relaxation of each phase. The β and γ tetrahedral phases are found to be very close in energy and lattice volume with the γ phase having the lowest energy. The octahedral α phase is a high-pressure phase and the transition pressure from the γ and β phases to α is determined to be about 1 GPa. The electronic band structures of each phase at their own equilibrium volume are determined using the quasiparticle self-consistent (QS) GW method as well as using the 0.8 Σ approach in which the QS GW self-energy is reduced by a factor of 0.8 to correct for the underscreening of W in QS GW. The effective masses of the band edges and the nature of the band gaps are presented. The lowest energy γ phase is found to have a pseudodirect gap of 7.69 eV. The gap is direct at Γ but corresponds to a dipole forbidden transition. The imaginary part of the dielectric function and the absorption coefficient are calculated in the long-wavelength limit and the random phase approximation, without local field or electron-hole interaction effects for each phase, and their anisotropies are discussed. Si doping on the Al site is investigated as a possible n-type dopant in γ-LiAlO 2 using a 128-atom supercell corresponding to 3.125% Si on the Al sublattice in the generalized gradient approximation and a smaller 16-atom cell with 25% Si in the QS GW approximation. The Si is found to significantly perturb the conduction band and lower the gap but a clearly separated deep donor defect level is not found. However, the donor binding energy is still expected to be relatively deep, on the order of a few tenths eV in the hydrogenic effective mass approximation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

University of Minnesota, Twin Cities Final Scientific/Technical Report Small Scale Ammonia Synthesis Using Stranded Wind Energy

Ammonia absorber columns offer an alternative separation unit to replace condensation in the Haber-Bosch synthesis loop. Metal halide salts can selectively separate ammonia from the reactor outlet gas mixture and incorporate it into their crystal lattice with remarkably high thermodynamic capacity. While the salts’ working capacity can be limited and unstable when they are in their pure form, the capacity is stable and can be high when using a porous ceramic support. In this project, we found optimal conditions for sorbent fabrication, we demonstrated benchmark levels of uptake and release of ammonia, and we fabricated and demonstrated a prototype at a scale of 1 kg/day ammonia. This task allowed us to assess improvement in the techno-economic prospects for this new separation approach, making viable more distributed production of green ammonia from geographically dispersed renewable energy sources.

08 HYDROGEN↗
NASA NTRS1987

Development and test of the Shuttle/Centaur cryogenic tankage thermal protection system

The Thermal Protection System (TPS) for the Shuttle/Centaur had to provide fail-safe thermal protection during prelaunch, launch ascent, and on-orbit operations as well as during potential abort where the Shuttle and Centaur would return to earth. The TPS selected used a helium-purged polyimide foam beneath three radiation shields for the liquid hydrogen (LH2) tank and radiation shields only for the liquid oxygen (LO2) tank (three shields on the tank sidewall and four on the aft bulkhead). An evacuated common intermediate bulkhead separated the two tanks. The LH2 tank had one 1.9-cm thick layer of foam on the forward bulkhead and two layers on the larger area side-wall. Full scale tests of the flight vehicle in a simulated Shuttle cargo bay, that was purged with gaseous nitrogen, gave total prelaunch heating rates of 25.9 kW and 12.9 kW for LH2 and LO2 tanks, respectively. Calorimeter tests on a representative LH2 tank sidewall TPS sample indicated that the measured unit heating rate would rapidly decrease from the prelaunch rate of 300 W/sq m to a desired rate of less than 4 W/sq m once on-orbit.

Knoll, R. H.↗
NASA NTRS2005

Simulations of inducers at Low-Flow Off-Design Conditions

The ability to accurately model details of inlet back flow for inducers operating at low-flow, off-design conditions is evaluated. A sub-scale version of a three- bladed liquid hydrogen inducer tested in water with detailed velocity and pressure measurements is used as a numerical test bed. Under low-flow, off-design conditions the length of the separation zone as well as the swirl velocity magnitude was under predicted with a standard k-E model. When the turbulent viscosity coefficient was reduced good comparison was obtained at all the flow conditions examined with both the magnitude and shape of the profile matching well with the experimental data taken half a diameter upstream of the leading edge. The velocity profiles and incidence angles at the leading edge itself were less sensitive to the back flow length predictions indicating that single-phase performance predictions may be well predicted even if the details of flow separation modeled are incorrect. However, for cavitating flow situations the prediction of the correct swirl in the back flow and the pressure depression in the core becomes critical since it leads to vapor formation. The simulations have been performed using the CRUNCH CFD@ code that has a generalized multi-element unstructured framework and an advanced multi-phase formulation for cryogenic fluids. The framework has been validated rigorously for predictions of temperature and pressure depression in cryogenic fluid cavities and has also been shown to predict the cavitation breakdown point for inducers at design conditions.

Hosangadi, Ashvin↗
NASA NTRS2005

Simulations of a Liquid Hydrogen Inducer at Low-Flow Off-Design Flow Conditions

The ability to accurately model details of inlet back flow for inducers operating a t low-flow, off-design conditions is evaluated. A sub-scale version of a three-bladed liquid hydrogen inducer tested in water with detailed velocity and pressure measurements is used as a numerical test bed. Under low-flow, off-design conditions the length of the separation zone as well as the swirl velocity magnitude was under predicted with a standard k-E model. When the turbulent viscosity coefficient was reduced good comparison was obtained a t all the flow conditions examined with both the magnitude and shape of the profile matching well with the experimental data taken half a diameter upstream of the leading edge. The velocity profiles and incidence angles a t the leading edge itself were less sensitive to the back flow length predictions indicating that single-phase performance predictions may be well predicted even if the details of flow separation modeled are incorrect. However, for cavitating flow situations the prediction of the correct swirl in the back flow and the pressure depression in the core becomes critical since it leads to vapor formation. The simulations have been performed using the CRUNCH CFD(Registered Trademark) code that has a generalized multi-element unstructured framework and a n advanced multi-phase formulation for cryogenic fluids. The framework has been validated rigorously for predictions of temperature and pressure depression in cryogenic fluid cavities and has also been shown to predict the cavitation breakdown point for inducers a t design conditions.

Hosangadi, A.↗
DOE OSTI2021

Preparation of defect-free asymmetric gas separation membranes with dihydrolevoglucosenone (Cyrene TM ) as a greener polar aprotic solvent

Nonsolvent-induced phase separation (NIPS) is widely used to prepare asymmetric gas separation membranes. Most industrial NIPS casting solution formulations are limited to a small group of glassy polymers and, importantly, require toxic polar aprotic solvents such as N,N-dimethylacetamide (DMAc), N,N-dimethylformamide (DMF), or N-methyl-2-pyrrolidone (NMP). Growing restrictions on the use of such solvents are spurring the search for more benign casting solution formulations that do not compromise membrane performance. Herein this study reports high-flux, defect-free asymmetric polysulfone (PSf) gas separation membranes prepared using dihydrolevoglucosenone (Cyrene TM ), a polar aprotic solvent that is believed to be safer than DMAc, DMF, and NMP, as the majority casting solution component. Optimized formulations and casting conditions produce membranes with hydrogen permeances exceeding 100 gas permeance units (GPU) and selectivities at or above those of dense PSf films. Dry/wet NIPS membrane performance improved with shorter dry step times and increased Cyrene TM loadings relative to the volatile solvent, tetrahydrofuran (THF), in the casting solution. The high water-Cyrene TM Flory-Huggins interaction parameter, $\mathcal{X}12$ , and high casting solution viscosities help suppress the formation of skin layer defects and sublayer macrovoids. In some cases, membrane selectivities were influenced by substructure resistance, providing insight into the relationship between sublayer morphology and membrane performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Empirically verified analysis of dual pre-cooling system for hydrogen refuelling station

The dual cooling system at the California State University Los Angeles Hydrogen Research and Fueling Facility is analysed to predict the output hydrogen temperature in different ambient conditions. Initially, the facility was built with a coil chiller T20 cooling, sufficient for occasional fuelings. A flat plate evaporator system was added in series to resolve any issues for multiple fuelings even in the hottest weather. This study was commenced to verify the set points and determine the control requirements for the dual setup in order to inform future designs. A numerical-empirical model of the cooling system was developed by reverse engineering, using the station experimental measurements and database records. The subsystems are characterized separately but validated as a whole system imposing specific and standard operating conditions. The cooling model is tested with different inputs to validate the pre-set parameter variation of the cooling components. Ten scenarios were investigated to evaluate the fueling output parameters, testing two hydrogen temperature input trends (according to the facility initial conditions) and five ambient temperatures (from 15 °C to 35 °C). In closing, the simulation results have confirmed that the hydrogen output temperature remains within the range imposed by the SAE J2601 for each scenario studied, around -22 °C and -25 °C.

08 HYDROGEN↗
DOE OSTI2025

Structurally Driven Selective Adsorption of Hydrocarbons by Metal Substitution in Isostructural Rare-Earth Metal–Organic Frameworks

The design and realization of highly selective nanoporous materials are necessary to target critical separations across industries. By leveraging pore size, pore shape, and linker functionalization, the design of nanoporous solid adsorbents will enable the rapid production of energy efficient separation materials for high-value gas mixtures. This study uses a combination of modeling, synthesis, and gas adsorption testing to investigate a new class of small-pore isostructural rare-earth (RE) 2,5-dihydroxyterephthalic acid (DOBDC) metal–organic frameworks (MOFs) (RE: Pr-, Gd-, Er-, Yb; DOBDC = 2,5-dihydroxyterephthalic acid) and their adsorption selectivity for acetylene/ethylene mixtures. Density functional theory simulations identified that selective binding of acetylene over ethylene in the Gd-, Er-, and Yb-DOBDC MOFs was due to hydrogen-bonding between acetylene and the linker hydroxyl. Adsorption experiments validated the computational results by identifying mechanisms that control the acetylene/ethylene adsorption selectivity and high acetylene adsorption. Furthermore, dynamic column breakthrough experiments with the Gd-DOBDC MOF validated the simulations and indicated that ethylene can be separated from acetylene in a mixture containing 1 vol % acetylene and 39 vol % ethylene (balance argon). In conclusion, the results highlight the complexity of gas binding in functional porous materials and how combining modeling and experiment enables a fundamental understanding of gas–framework interactions that can be leveraged for the design of future separation materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗