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Results for “hydrogen separation”

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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

Statistical mechanics of light elements at high pressure. V Three-dimensional Thomas-Fermi-Dirac theory

A numerical technique for solving the Thomas-Fermi-Dirac (TED) equation in three dimensions, for an array of ions obeying periodic boundary conditions, is presented. The technique is then used to calculate deviations from ideal mixing for an alloy of hydrogen and helium at zero temperature and high presures. Results are compared with alternative models which apply perturbation theory to calculation of the electron distribution, based upon the assumption of weak response of the electron gas to the ions. The TFD theory, which permits strong electron response, always predicts smaller deviations from ideal mixing than would be predicted by perturbation theory. The results indicate that predicted phase separation curves for hydrogen-helium alloys under conditions prevailing in the metallic zones of Jupiter and Saturn are very model dependent.

Macfarlane, J. J.↗
DOE OSTI2023

Heterogenization of Homogeneous Ruthenium(II) Catalysts for Carbon-Neutral Dehydrogenation of Polyalcohols

Liquid organic hydrogen carrier (LOHC) systems are an excellent alternative to pressurized gas and liquid hydrogen storage technologies due to their high volumetric storage capacities and straightforward adaptation to existing infrastructure. Homogeneous catalysts are promising for the selective and reversible release of hydrogen from LOHC. However, separation from product mixtures and recycling inhibit their use, particularly when comprised of costly low-abundance elements, motivating the development of heterogeneous versions that are more easily recovered and reused. Here, we describe two methods for the heterogenization of molecular Ru catalysts that efficiently dehydrogenate the polyalcohol LOHCs ethylene glycol (EG) and 1,2-propanediol (1,2-PDO). The heterogeneous versions of these catalysts maintain catalytic activity for hydrogen production comparable to the homogeneous complexes, with up to 81% conversion and 99% selectivity. Further, DFT modeling indicates mechanistic similarities for the dehydrogenations of EG and 1,2-PDO, with the rate-limiting steps associated with protonation of the Ru–H bond to form H 2 and the alkoxide species coordinated to Ru(II), followed by β-hydride elimination to regenerate the Ru–H bond. Overall, the data suggest these heterogenized molecular catalysts have potential for practical use in polyalcohol-based LOHC systems.

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

First-Principles Molecular Dynamics Simulations of Ammonia Adsorption onto MFI Zeolite Nanosheets

MFI zeolite nanosheet membranes are promising candidates for ammonia separation from nitrogen and hydrogen gases, yet questions remain on the origin of their high selectivity. Silanols, Si–OH, are present in high concentration at the surface of zeolite nanosheets, and force-field-based simulations indicate that surface adsorption at the silanols contributes to selectivity. Acidic silanol groups can chemically react with ammonia via transfer of a proton to form ammonium ions, which may further contribute to the ability of zeolite nanosheet membranes to separate ammonia from other gases. In this work, we used first-principles molecular dynamics techniques to simulate ammonia’s behavior within stacked MFI zeolite nanosheets. We found that at 523 K and a loading corresponding to 35 bar, conditions desired for the ammonia separation, about 30% of ammonia reacts with surface silanols. Our work explored H-bonding and proton transfer within this system.

ammonia↗
DOE OSTI2026

Hazard and risk analysis framework for nuclear power plant–based integrated energy systems

Employing integrated energy systems (IESs) with nuclear power plants (NPPs) can improve NPP utilization by leveraging dedicated thermal and electric power delivery, but it may also increase operational safety risks. This paper presents a framework to identify and quantify hazards and risks for such IESs. The framework combines accidentology to review past industrial accidents with failure modes and effects analysis (FMEA) to identify potential future incidents. Hydrogen explosion and toxic chemical release hazards are of particular concern. Explosion consequences are quantified using the Bauwens-Dorofeev (Bauwens) and trinitrotoluene equivalent mass (TNT-EM) methods, while chemical release consequences are computed using the Gaussian atmospheric dispersion method. Operational disturbances from direct electrical and thermal integration that may affect NPP safety are modeled using probabilistic risk analysis (PRA). Hazards and risks are then evaluated for regulatory compliance. The framework is applied to IESs comprising pressurized or boiling water reactors supplying three levels of thermal and electrical power to industrial customers. Case studies include high-temperature steam electrolysis hydrogen plants of varying capacities and a synthetic fuel production plant. Sensitivity analysis examines piping component failures in the PRA model as a precursor to cost estimation for thermal extraction line design. Additionally, Fussel-Vessely (FV) and risk increase importance (RII) measures identify risk-informed design improvements for the thermal extraction system. FMEA highlights hazards such as loss of offsite power, prompt loss of electrical load, loss of thermal output, and immediate steam diversion, in addition to hydrogen explosions and toxic chemical releases. Both Bauwens and TNT-EM methods suggest maintaining several hundred meters of separation between the NPP and hydrogen facility to mitigate explosion risks. PRA results show a maximum initiating event frequency increase of 1.15% and an overall risk increase of 0.28%. Importance measure analysis identifies upstream pipe leak isolation components as critical. Evaluating the results against safety regulations, it is concluded that hazards and risks can be managed to comply with regulations through risk-informed thermal and electrical connection designs, component selection, maintenance programs, and safe separation distances between NPPs and integrated industrial facilities.

08 - HYDROGEN↗
DOE OSTI2026

Hydrogen applications in airport operations: a review using the Port Authority of New York and New Jersey as an illustrative airport system

Airports combine aircraft propulsion, ground operations, stationary power systems, and fuel logistics in ways that make emissions reduction technically and operationally complex. Existing studies often assess hydrogen applications in these areas separately, limiting understanding of the shared infrastructure, safety, and operational constraints that shape airport deployment. This review evaluates hydrogen across three airport-relevant operational domains: aviation propulsion, ground support equipment and vehicles, and stationary power systems. Within aviation propulsion, the review examines sustainable aviation fuel production and hydrogen-powered aircraft as two distinct hydrogen-relevant pathways. The Port Authority of New York and New Jersey is used as an illustrative airport system to relate the literature to a real operating context. Drawing on peer-reviewed studies, technical reports, demonstration projects, and public operational information, the review also includes screening-level calculations of hydrogen demand and potential CO 2 e reductions for selected applications. The findings show that hydrogen's role is highly application-specific. Near-term opportunities are strongest where hydrogen serves as a low-carbon process input, supports selected high-utilization ground equipment, or contributes to resilient stationary power-system configurations. Hydrogen-powered aircraft remain a longer-term option because storage, fueling infrastructure, certification, cost, and NO x management continue to constrain deployment. Across all domains, infrastructure readiness, fuel logistics, safety requirements, and leakage management emerge as recurring determinants of viability. Future research should focus on cross-domain infrastructure planning, comparative assessment of hydrogen against alternative pathways, improved treatment of leakage and non-CO 2 effects, and clearer safety and regulatory frameworks for airport deployment.

08 HYDROGEN↗
NASA NTRS1987

Effect of Reynolds number variation on aerodynamics of a hydrogen-fueled transport concept at Mach 6

Two separate tests have been made on the same blended wing-body hydrogen-fueled transport model at a Mach number of about 6 and a range of Reynolds number (based on theoretical body length) of 1.577 to 55.36 X 10 to the 6th power. The results of these tests, made in a conventional hypersonic blowdown tunnel and a hypersonic shock tunnel, are presented through a range of angle of attack from -1 to 8 deg, with an extended study at a constant angle of attack of 3 deg. The model boundary layer flow appeared to be predominately turbulent except for the low Reynolds number shock tunnel tests. Model wall temperatures varied considerably; the blowdown tunnel varied from about 255 F to 340 F, whereas the shock tunnel had a constant 70 F model wall temperature. The experimental normal-force coefficients were essentially independent of Reynolds number. A current theoretical computer program was used to study the effect of Reynolds number. Theoretical predictions of normal-force coefficients were good, particularly at anticipated cruise angles of attack, that is 2 to 5 deg. Axial-force coefficients were generally underestimated for the turbulent skin friction conditions, and pitching-moment coefficients could not be predicted reliably.

Penland, Jim A.↗
DOE OSTI2024

The Effect of Air Separations on Fast Pyrolysis Products for Forest Residue Feedstocks

This study investigates the intricate relationship between biomass preprocessing and pyrolysis product yields, employing the air classification technique for the treatment of loblolly pine residues with varying moisture content. A comprehensive exploration of the physicochemical properties of air-classified loblolly pine informs a sophisticated pyrolysis simulation model. Given the complex and multifaceted nature of biomass pyrolysis, operating across diverse temporal and spatial scales, a pyrolysis kinetics-based CFD–DEM simulation method is employed to predict product yields. Results showed that the elevated moisture content amplifies particle adhesiveness, necessitating augmented air velocities for effective separation, thereby influencing the efficiency of the separation process. While carbon and hydrogen contents exhibit relative stability across diverse moisture contents and blower frequencies, the oxygen content undergoes noticeable changes. For example, the oxygen contents were measured as 29.2 and 38.6 wt% in the light fraction of 30% moisture content sample at blower frequencies of 10 and 20 Hz, respectively. An intriguing finding emerges from pyrolysis simulation, indicating that a lower blower frequency in air classification moderately enhances bio-oil yield and significantly improves its quality, particularly in terms of water content. For instance, the water content in the bio-oil was about 1.5% and 10% in the heavy and light fractions, respectively from 10% moisture sample under 15 Hz blower frequency. In summary, a detailed understanding and strategic manipulation of critical material attributes in biomass through efficient fractionation techniques are imperative for advancing fast pyrolysis as a sustainable avenue for renewable energy and chemical production.

09 BIOMASS FUELS↗
DOE OSTI2024

Probing Noncovalent Interaction Strengths of Host-Guest Complexes Using Negative Ion Photoelectron Spectroscopy

Noncovalent interactions (NCIs) are crucial for the formation and stability of host-guest complexes, which have wide-ranging implications across various fields, including biology, chemistry, materials science, pharmaceuticals, and environmental science. However, since NCIs are relatively weak and sensitive to bulk perturbation, direct and accurate measurement of their absolute strength has always been a significant challenge. This concept article aims to demonstrate the gas-phase electrospray ionization (ESI)-negative ion photoelectron spectroscopy (NIPES) as a direct and precise technique to measure the absolute interaction strength, probe nature of NCIs, and reveal the electronic structural information for host-guest complexes. Here, our recent studies in investigating various host-guest complexes that involve various types of NCIs such as anion–π, (di)hydrogen bonding, charge-separated ionic interactions, are overviewed. Finally, a summary and outlook are provided for this field.

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

Hyperselective carbon membranes for precise high-temperature H 2 and CO 2 separation

More than 90% of the world’s hydrogen (H 2 ) is produced from fossil fuel sources, which requires energy-intensive separation and purification to produce high-purity H 2 fuel and to capture the carbon dioxide (CO 2 ) by-product. While membranes can decarbonize H 2 /CO 2 separation, their moderate H 2 /CO 2 selectivity requires secondary H 2 purification by pressure swing adsorption. Here, we report hyperselective carbon molecular sieve hollow fiber membranes showing H 2 /CO 2 selectivity exceeding 7000 under mixture permeation at 150°C, which is almost 30 times higher than the most selective nonmetallic membrane reported in the literature. The membrane is able to maintain an ultrahigh H 2 /CO 2 selectivity over 1400 under mixture permeation at 400°C. Pore structure characterization suggests that highly refined ultramicropores are responsible for effectively discriminating the closely sized H 2 and CO 2 molecules in the hyperselective carbon molecular sieve membrane. Modeling shows that the unprecedented H 2 /CO 2 selectivity will potentially allow one-step enrichment of fuel-grade H 2 from shifted syngas for decarbonized H 2 production.

Science & Technology - Other Topics↗
NASA NTRS1974

Short-range interaction between hydrogen molecules

Recent calculations of the ground state energy of a system of four hydrogen atoms are reviewed with the aim of discerning the short-range repulsive part of the interaction potential between two hydrogen molecules. Extended-basis CI calculations which include a diffuse 2p orbital appear to be capable of determining the total interaction energy between to hydrogen molecules for any separation. Consistent results of such calculations suggest that the potential for intermolecular separations in the region from 1 to 2.5 A can now be specified to better than 10% with considerable confidence. Analytic fits to spherical averages of these results are presented.

Mcmahan, A. K.↗
NASA NTRS1974

Spacecraft nitrogen generation

Two spacecraft nitrogen (N2) generation systems based on the catalytic dissociation of hydrazine (N2H4) were evaluated. In the first system, liquid N2H4 is catalytically dissociated to yield an N2 and hydrogen (H2) gas mixture. Separation of the N2/H2 gas mixture to yield N2 and a supply of H2 is accomplished using a polymer-electrochemical N2/H2 separator. In the second system, the N2/H2 gas mixture is separated in a two-stage palladium/silver (Pd/Ag) N2/H2 separator. The program culminated in the successful design, fabrication, and testing of a N2H4 catalytic dissociator, a polymer-electrochemical N2/H2 separator, and a two-stage Pd/Ag N2/H2 separator. The hardware developed was sized for an N2 delivery rate of 6.81 kg/d (15lb/day). Experimental results demonstrated that both spacecraft N2 generation systems are capable of producing 6.81 kg/d (15lb/day) of 99.9% pure N2 at a pressure greater than or equal to 1035 kN/m(2) (150 psia).

Marshall, R. D.↗
NASA NTRS1977

Infrared studies of H II regions and dust clouds near K3-50

Ground-based infrared observations of the K3-50 region are reported at wavelengths between 2 and 34 microns as well as at 1 mm. The main results are that (1) the visible nebular K3-50 is displaced from its infrared and radio counterparts; (2) component Cl (the OH source ON-3) appears very faint at wavelengths not exceeding 20 microns and is therefore probably obscured by several hundred magnitudes of visual extinction; (3) both K3-50 and component C are associated with separate condensations of molecular hydrogen, each of about 3000 solar masses; and (4) there are no strong sources in this region at 20 microns other than those associated with H II condensations.

Wynn-Williams, C. G.↗
NASA NTRS1978

Strip cell test and evaluation program

The performance characteristics of alkaline fuel cells to be used for space power systems were tested. Endurance tests were conducted on the cells during energy conversion operations. A feature of the cells fabricated and tested was the capability to evaporate the product water formed during the energy conversion reaction directly to space vacuum. A fuel cell powerplant incorporating these cells does not require a condenser and a hydrogen recirculating pump water separator to remove the product water. This simplified the fuel cell powerplant system, reduced the systems weight, and reduced the systems parasite power.

Gitlow, B.↗
NASA NTRS1983

Investigation of the applicability of using the triple redundant hydrogen sensor for methane sensing

Application specifications for the methane sensor were assembled and design guidelines, development goals and evaluation criteria were formulated. This was done to provide a framework to evaluate sensor performance and any design adjustments to the preprototype sensor that could be required to provide methane sensitivity. Good response to hydrogen was experimentally established for four hydrogen sensor elements to be later evaluated for methane response. Prior results were assembled and analyzed for other prototype hydrogen sensor performance parameters to form a comparison base. The four sensor elements previously shown to have good hydrogen response were experimentally evaluated for methane response in 2.5% methane-in-air. No response was obtained for any of the elements, despite the high methane concentration used (50% of the Lower Flammability Limit). It was concluded that the preprototype sensing elements were insensitive to methane and were hydrogen specific. Alternative sensor operating conditions and hardware design changes were considered to provide methane sensitivity to the preprototype sensor, including a variety of different methane sensing techniques. Minor changes to the existing sensor elements, sensor geometry and operating conditions will not make the preprototype hydrogen sensor respond to methane. New sensor elements that will provide methane and hydrogen sensitivity require replacement of the existing thermistor type elements. Some hydrogen sensing characteristics of the modified sensor will be compromised (larger in situ calibration gas volume and H2 nonspecificity). The preprototype hydrogen sensor should be retained for hydrogen monitoring and a separate methane sensor should be developed.

Lantz, J. B.↗
NASA NTRS1984

The lower main sequence and the nature of secondary stars in ultracompact binaries

The possible nature of the secondary stars in ultracompact binary stellar systems (with orbital periods of less than about 1 hr) are systematically investigated. Using a simplified stellar evolution code, which assumes isentropic stellar models, nearly 3000 separate models for hydrogen-burning main-sequence stars with masses less than 0.3 solar mass are generated. The effects of the (homogeneous) chemical composition on the properties of such stars and in, particular, on the minimum main-sequence mass are explored in detail. It is found that this minimum mass is a sensitive function of the hydrogen content and can be as small as 0.035 solar mass. The properties of fully degenerate low-mass stars, as well as low-mass stars that are not in thermal equilibrium are also studied. In particular, it is shown that the thermal time scale of such nonequilibrium stars may exceed 10 billion yr. The results also confirm the existence of a second branch of the main sequence and shed new light on the thermal instability of this branch. The available observational information on the three known ultracompact binary systems (4U 1626-67, G61-29, 4U 1916-05) is summarized, and the results of the stellar model calculations are combined with the empirical results to place constraints on the properties of the secondary stars.

Rappaport, S.↗
NASA NTRS1990

Orbital transfer vehicle oxygen turbopump technology. Volume 1: Design, fabrication, and hydrostatic bearing testing

The design, fabrication, and initial testing of a rocket engine turbopump (TPA) for the delivery of high pressure liquid oxygen using hot oxygen for the turbine drive fluid are described. This TPA is basic to the dual expander engine which uses both oxygen and hydrogen as working fluids. Separate tasks addressed the key issue of materials for this TPA. All materials selections emphasized compatibility with hot oxygen. The OX TPA design uses a two-stage centrifugal pump driven by a single-stage axial turbine on a common shaft. The design includes ports for three shaft displacement/speed sensors, various temperature measurements, and accelerometers.

Buckmann, P. S.↗