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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS2023

Soluble Organic Molecules in Samples of the Carbonaceous Asteroid (162173) Ryugu

The Hayabusa2 spacecraft collected samples from the surface of the carbonaceous near-Earth asteroid (162173) Ryugu, and brought them to Earth. The samples were expected to contain organic molecules, which record processes that occurred in the early Solar System. We analyzed organic molecules extracted from the Ryugu surface samples. We identify a variety of molecules containing the atoms CHNOS, formed by methylation, hydration, hydroxylation, and sulfurization reactions. Amino acids, aliphatic amines, carboxylic acids, polycyclic aromatic hydrocarbons, and nitrogen-heterocyclic compounds were detected, with properties consistent with an abiotic origin. These compounds likely arose from aqueous reaction on Ryugu’s parent body and are similar to organics in Ivuna-type meteorites. These molecules can survive on the surfaces of asteroids and be transported throughout the Solar System.

Hiroshi Naraoka↗
NASA NTRS2023

Soluble Organic Matter Molecular Atlas of Ryugu Reveals Cold Hydrothermalism on C-Type Asteroid Parent Body

The sample from the near-Earth carbonaceous asteroid (162173) Ryugu is analyzed in the context of carbonaceous meteorites soluble organic matter. The analysis of soluble molecules of samples collected by the Hayabusa2 spacecraft shines light on an extremely high molecular diversity on the C-type asteroid. Sequential solvent extracts of increasing polarity of Ryugu samples are analyzed using mass spectrometry with complementary ionization methods and structural information confirmed by nuclear magnetic resonance spectroscopy. Here we show a continuum in the molecular size and polarity, and no organomagnesium molecules are detected, reflecting a low temperature and water-rich environment on the parent body approving earlier mineralogical and chemical data. High abundance of sulfidic and nitrogen rich compounds as well as high abundance of ammonium ions confirm the water processing. Polycyclic aromatic hydrocarbons are also detected in a structural continuum of carbon saturations and oxidations, implying multiple origins of the observed organic complexity, thus involving generic processes such as earlier carbonization and serpentinization with successive low temperature aqueous alteration.

Asteroids, comets and Kuiper belt↗
DOE OSTI2020

Method and composition for reducing nitrates, nitrites, and/or hydroxylamine in water using a homogeneous reduced copper tetra-substituted fluorinated pinacolate ligand catalyst complex

A method for reducing nitrates, nitrites, and/or hydroxylamine in water using a homogeneous reduced copper tetra-substituted fluorinated pinacolate ligand catalyst complex. The method includes dissolving a copper(II) tetra-substituted fluorinated pinacolate ligand pre-catalyst complex in water having an excess amount of nitrates, nitrites, and/or hydroxylamine therein. The dissolved copper(II) tetra-substituted fluorinated pinacolate ligand pre-catalyst complex in the water is subjected to electrochemical reduction to form a homogeneous reduced copper tetra-substituted fluorinated pinacolate ligand catalyst complex. The homogeneous reduced copper tetra-substituted fluorinated pinacolate ligand catalyst complex reduces the nitrates, nitrites, and/or hydroxylamine in the water to compounds with nitrogen in a lower oxidation state with the homogeneous reduced copper tetra-substituted fluorinated pinacolate ligand catalyst complex.

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

Formation of the N≡N Triple Bond from Reductive Coupling of a Paramagnetic Diruthenium Nitrido Compound

Construction of nitrogen–nitrogen triple bonds via homocoupling of metal nitrides is an important fundamental reaction relevant to a potential Nitrogen Economy. Here, we report that room temperature photolysis of Ru 2 (chp) 4 N 3 (chp– = 2-chloro-6-hydroxypyridinate) in CH 2 Cl 2 produces N 2 via reductive coupling of Ru2(chp)4N nitrido species. Computational analysis reveals that the nitride coupling transition state (TS) features an out-of-plane “zigzag” geometry instead of the anticipated planar zigzag TS. However, with intentional exclusion of dispersion correction, the planar zigzag TS geometry can also be found. Both the out-of-plane and planar zigzag TS geometries feature two important types of orbital interactions: (1) donor–acceptor interactions involving intermolecular donation of a nitride lone pair into an empty Ru–N π* orbital and (2) Ru–N π to Ru–N π* interactions derived from coupling of nitridyl radicals. The relative importance of these two interactions is quantified both at and after the TS. Our analysis shows that both interactions are important for the formation of the N–N σ bond, while radical coupling interactions dominate the formation of N–N π bonds. Comparison is made to isoelectronic Ru 2 -oxo compounds. Formation of an O–O bond via bimolecular oxo coupling is not observed experimentally and is calculated to have a much higher TS energy. As a result, the major difference between the nitrido and oxo systems stems from an extremely large driving force, ~–500 kJ/mol, for N–N coupling vs a more modest driving force for O–O coupling, –40 to –140 kJ/mol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2001

Decoding the Domino: The Dark Side of Iapetus

We present new spectra of the leading and trailing hemispheres of Iapetus from 2.4 to 3.8 micron. We have combined the leading hemisphere spectra with previous observations by others to construct a composite spectrum of the dark side (leading) hemisphere from 0.3 to 3.8 gm. We review attempts to deduce the composition of the dark material from previously available spectrophotometry. None of them (numbering more than 20 million!) leads to a synthetic spectrum that matches the new data. An intimate mixture of water ice, amorphous carbon and a nitrogen-rich organic compound (modeled here as Triton tholin) can fit the entire composite dark side spectrum. Observations in this spectral region have not revealed this mix of material on any other object observed thus far. We propose that this dark material may have originated on Titan, where atmospheric photochemistry has been producing nitrogen-rich organic compounds for 4.5 GY.

Owen, Tobias C.↗
NASA NTRS1977

Pyrolysis of organic compounds in the presence of ammonia The Viking Mars lander site alteration experiment

The influence of ammonia on the pyrolysis pattern of selected organic substances sorbed on an inorganic phase was investigated. The thermal degradation products were identified by gas chromatography-mass spectrometry. The feasibility of this technique was tested on a meteoritic sample. All substances examined react with ammonia at the pyrolysis temperature of 500 C, the major products being nitriles and heterocyclic compounds in which nitrogen was incorporated. Based on these results, a model for the non-equilibrium production of organic compounds on Jupiter is discussed. The investigation was performed in connection with the Viking lander molecular analysis. The results obtained indicate that the concentrations of ammonia in the retrorocket fuel exhaust would have been probably too small to produce significant changes in the Martian soil organic compounds if any were found.

Holzer, G.↗
NASA NTRS1998

Evaluation of Portable Multi-Gas Analyzers for use by Safety Personnel

During confined space entry operations as well as Shuttle-safing operations, United Space Alliance (USA)/National Aeronautics and Space Administration (NASA) safety personnel use a variety of portable instrumentation to monitor for hazardous levels of compounds such as nitrogen dioxide (N%), monomethylhydrazine (NMM), FREON 21, ammonia (NH3), oxygen (O2), and combustibles (as hydrogen (H2)). Except for O2 and H2, each compound is monitored using a single analyzer. In many cases these analyzers are 5 to 10 years old and require frequent maintenance. In addition, they are cumbersome to carry and tend to make the job of personnel monitoring physically taxing. As part of an effort to upgrade the sensor technology background information was requested from a total of 27 manufacturers of portable multi-gas instruments. A set of criteria was established to determine which vendors would be selected for laboratory evaluation. These criteria were based on requests made by USA/NASA Safety personnel in order to meet requirements within their respective areas for confined-space and Shuttle-safing operations. Each of the 27 manufacturers of multi-gas analyzers was sent a copy of the criteria and asked to fill in the appropriate information pertaining to their instrumentation. Based on the results of the sensor criteria worksheets, a total of 9 vendors out of 27 surveyed manufacturers were chosen for evaluation. Each vendor included in the final evaluation process was requested to configure each of two analyzers with NO2, NH3, O2, and combustible sensors. A set of lab tests was designed in order to determine which of the multi-gas instruments under evaluation was best suited for use in both shuttle and confined space operations. These tests included linearity/repeatability, zero/span drift response/recovery, humidity, interference, and maintenance. At the conclusion of lab testing three vendors were selected for additional field testing. Based on the results of both the lab and field evaluations a single vendor was recommended for use by NASA/IJSA Safety personnel. Vendor selection criteria, as well as the results from both laboratory and field testing of the multi-gas analyzers, are presented as part of this paper.

Lueck, D. E.↗
DOE OSTI2021

Unraveling Site Selective Magnetic Properties of Cobalt Sites in Critical Elements Lean RE(TM)5 Magnet Materials

We report here our discovery of crystallographic and interstitial sites and onsite electron correlation propelled intrinsic and derived permanent magnetic properties of critical elements lean RE(TM) 5 (RE = La, Ce and TM = Fe, Co) magnet materials. A full potential linearized augmented plane wave (FP-LAPW) method within the local density approximation (LDA) is used to investigate and analyze the electronic structure and magnetism of these RE(TM) 5 type structures. To better correlate the experimental results, the effective Coulomb (U) and exchange (J) interactions (Hubbard parameters) are crucial at the transition metal sites. Results show that the main propeller of magnetic anisotropy in these compounds is the cobalt atoms at the 2c sites not the 3g sites. This site-specific property and site preference energetics are used to replace 3g sites with non-critical elements such as iron that exhibits a larger magnetic moment. Based on this strategic replacement, we predict two new compounds that have a larger hardness parameter with a relatively large energy product due to the atomic dilution caused by interstitial addition of nitrogen in the compounds: CeCo 2 Fe 3 N 2 and LaCo 2 Fe 3 N 2 .

Rare-earths↗
DOE OSTI2020

Heteroatom-doped porous carbons for clean energy applications and methods for their synthesis

Methods for a facile, template free and one-step synthesis of nanoporous carbons by using a heterocyclic aromatic organic compound as a single source precursor of both carbon and nitrogen are described. The heterocyclic aromatic organic compound contains nitrogen in pyrrolic and/or pyridinic positions and is chemically activated with NaOH, KOH or ZnCl2 at high temperatures in a solid state mixture as a synthesis protocol to promote fine micropores during carbonization. Nanoporous carbons synthesized by these methods that have superior gas sorption/storage and energy storage properties are also described. The nanoporous carbons are useful as carbon sequestration agents and supercapacitors.

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

Nitrogen- and oxygen-rich organic material indicative of polymerization in pre-aqueous cryochemistry on Bennu’s parent body

Nitrogen-containing organic compounds play key biological roles, and their identification in primitive astromaterials such as meteorites can shed light on the origin of life. However, meteorites are typically contaminated by uncontrolled exposure to Earth. Here we show that pristine samples returned from asteroid Bennu contain polymeric organics exceptionally rich in nitrogen and oxygen. These polymers contain a variety of functional groups including amines, amides, N-heterocycles, and aliphatic and aromatic hydrocarbons, among others. They are seen in a carbonaceous vein with mineral inclusions and in multilayered organic sheets. Their morphology and composition indicate formation from pre-aqueous N-rich precursors and later modification during aqueous alteration. These findings demonstrate that asteroids like Bennu contain complex nitrogen-rich organic phases formed by pre-aqueous and aqueous processes, and they expand the known inventory of potential prebiotic extraterrestrial compounds.

Sandford, Scott A↗
NASA NTRS1996

Development of airborne eddy-correlation flux measurement capabilities for reactive oxides of nitrogen

This research is aimed at producing a fundamental new research tool for characterizing the source strength of the most important compound controlling the hemispheric and global scale distribution of tropospheric ozone. Specifically, this effort seeks to demonstrate the proof-of-concept of a new general purpose laser-induced fluorescence based spectrometer for making airborne eddy-correlation flux measurements of nitric oxide (NO) and other reactive nitrogen compounds. The new all solid-state laser technology being used in this advanced sensor will produce a forerunner of the type of sensor technology that should eventually result in highly compact operational systems. The proof-of-concept sensor being developed will have over two orders-of-magnitude greater sensitivity than present-day instruments. In addition, this sensor will offer the possibility of eventual extension to airborne eddy-correlation flux measurements of nitrogen dioxide (NO2) and possibly other compounds, such as ammonia (NH3), peroxyradicals (HO2), nitrateradicals (NO3) and several iodine compounds (e.g., I and IO). Demonstration of the new sensor's ability to measure NO fluxes will occur through a series of laboratory and field tests. This proof-of-concept demonstration will show that not only can airborne fluxes of important ultra-trace compounds be made at the few parts-per-trillion level, but that the high accuracy/precision measurements currently needed for predictive models can also. These measurement capabilities will greatly enhance our current ability to quantify the fluxes of reactive nitrogen into the troposphere and significantly impact upon the accuracy of predictive capabilities to model O3's distribution within the remote troposphere. This development effort also offers a timely approach for producing the reactive nitrogen flux measurement capabilities that will be needed by future research programs such as NASA's planned 1999 Amazon Biogeochemistry and Atmospheric Chemistry Experimental portion of LBA.

Bradshaw, John↗
DOE OSTI2025

Large enhancement of ferroelectric properties of perovskite oxides via nitrogen incorporation

Perovskite oxides have a wide variety of physical properties that make them promising candidates for versatile technological applications including nonvolatile memory and logic devices. Chemical tuning of those properties has been achieved, to the greatest extent, by cation-site substitution, while anion substitution is much less explored due to the difficulty in synthesizing high-quality, mixed-anion compounds. Here, nitrogen-incorporated BaTiO3 thin films have been synthesized by reactive pulsed-laser deposition in a nitrogen growth atmosphere. The enhanced hybridization between titanium and nitrogen induces a large ferroelectric polarization of 70 μC/cm2 and high Curie temperature of ~1213 K, which are ~2.8 times larger and ~810 K higher than in bulk BaTiO3, respectively. These results suggest great potential for anion-substituted perovskite oxides in producing emergent functionalities and device applications.

Wang, Tao↗
NASA NTRS2006

Proton conducting membranes for high temperature fuel cells with solid state water free membranes

A water free, proton conducting membrane for use in a fuel cell is fabricated as a highly conducting sheet of converted solid state organic amine salt, such as converted acid salt of triethylenediamine with two quaternized tertiary nitrogen atoms, combined with a nanoparticulate oxide and a stable binder combined with the converted solid state organic amine salt to form a polymeric electrolyte membrane. In one embodiment the membrane is derived from triethylenediamine sulfate, hydrogen phosphate or trifiate, an oxoanion with at least one ionizable hydrogen, organic tertiary amine bisulfate, polymeric quaternized amine bisulfate or phosphate, or polymeric organic compounds with quaternizable nitrogen combined with Nafion to form an intimate network with ionic interactions.

Narayanan, Sekharipuram R.↗
NASA NTRS1979

The influence of ionization events on atmospheric ozone

Atmospheric ionization events can modify the concentration of neutral species in the stratosphere and mesosphere. In particular, ozone is destroyed because of the production of significant quantities of odd nitrogen and hydrogen compounds which react photochemically to destroy ozone. Direct evidence of ozone depletion comes from data taken during and following two solar flares generating large fluxes of 10-100 Mev protons, which bombarded the polar stratosphere and mesosphere. Observations of ozone taken during X-ray emission by solar flares and energetic electron precipitation during aurorae indicates ozone destruction above 50 km by ionization produced odd hydrogen. Lightning is apparently a large contributor to the tropospheric odd nitrogen budget. Ion propulsion induced dumping of the inner proton radiation belt represents a human activity which may influence stratospheric NOx.

Aikin, A. C.↗
DOE OSTI2021

Fast Correction of Errors in the DFT‐Calculated Energies of Gaseous Nitrogen‐Containing Species

Abstract Modeling adsorption phenomena on surfaces by DFT calculations often involves substantial errors, resulting in inaccurate predictions of catalytic activities. Such errors partly stem from the inaccurate description of the energetics of free molecules. Herein, we use a semiempirical group‐additivity method to correct the DFT‐calculated heats of formation of 106 carbon‐ and nitrogen‐containing gaseous compounds belonging to 15 different chemical families. PBE, PW91, RPBE and BEEF‐vdW initially yield mean absolute errors (MAEs) with respect to experiments in the range of 0.32–0.75 eV. After correcting the systematic errors, the overall MAEs decrease to ∼0.05 eV. Additionally, upon applying the corrections to three types of reaction enthalpies, the resulting MAEs are below 0.10 eV. These functional‐group corrections can be used in (electro)catalysis to correct the gas‐phase references necessary to evaluate equilibrium potentials and adsorption energies, predict error cancellation, and assess conflicting experimental data.

Urrego‐Ortiz, Ricardo↗