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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Enhancement of high-temperature selectivity on Cu-SSZ-13 towards NH3-SCR reaction from highly dispersed ZrO2

ZrO2 is introduced as a secondary phase to Cu-SSZ-13 via different approaches and tested for the NH3-SCR reaction. It is shown that the vicinity between the two catalyst phases, i.e., ZrO2 dispersion, influences interaction between copper oxide (CuOx) on Cu-SSZ-13 and ZrO2. A strong interaction is achieved when ZrO2 is formed with high dispersion on Cu-SSZ-13, and leads to the chemical interaction of CuOx and ZrO2 in hydrothermally aged catalysts. The result is formation of a Cu-stabilized t-ZrO2 phase which greatly hinders the non-selective NH3 oxidation due to CuOx. With reduced ZrO2 dispersion and less Cu-SSZ-13 and ZrO2 interaction, the beneficial role of ZrO2 is diminished. This strategy of CuOx passivation is able to significantly enhance the high-temperature selectivity of the state-of-the-art NH3-SCR catalytic system while mitigating the adverse impact of CuOx clusters on the zeolite, potentially enabling higher Cu-content SCR catalysts and improved low-temperature activity.

NH3-SCR, ZrO2, selective catalytic reduction, afte↗
NASA NTRS2012

Nucleobases and Prebiotic Molecules in Organic Residues Produced from the Ultraviolet Photo-Irradiation of Pyrimidine in NH3 and H2O+NH3 Ices

Although not yet identified in the interstellar medium (ISM), N-heterocycles including nucleobases the information subunits of DNA and RNA are present in carbonaceous chondrites, which indicates that molecules of biological interest can be formed in non-terrestrial environments via abiotic pathways. Recent laboratory experiments and ab-initio calculations have already shown that the irradiation of pyrimidine in pure H2O ices leads to the formation of a suite of oxidized pyrimidine derivatives, including the nucleobase uracil. In the present work, NH3:pyrimidine and H2O:NH3:pyrimidine ice mixtures with different relative proportions were irradiated with UV photons under astrophysically relevant conditions. Liquid- and gas-chromatography analysis of the resulting organic residues has led to the detection of the nucleobases uracil and cytosine, as well as other species of prebiotic interest such as urea and small amino acids. The presence of these molecules in organic residues formed under abiotic conditions supports scenarios in which extraterrestrial organics that formed in space and were subsequently delivered to telluric planets via comets and meteorites could have contributed to the inventory of molecules that triggered the first biological reactions on their surfaces.

Nuevo, Michel↗
NASA NTRS1983

The reaction NH2 + PH3 yields NH3 + PH2 - Absolute rate constant measurement and implication for NH3 and PH3 photochemistry in the atmosphere of Jupiter

The rate constant is measured over the temperature interval 218-456 K using the technique of flash photolysis-laser-induced fluorescence. NH2 radicals are produced by the flash photolysis of ammonia highly diluted in argon, and the decay of fluorescent NH2 photons is measured by multiscaling techniques. For each of the five temperatures employed in the study, the results are shown to be indepenent of variations in PH3 concentration, total pressure (argon), and flash intensity. It is found that the rate constant results are best represented for T between 218 and 456 K by the expression k = (1.52 + or - 0.16) x 10 to the -12th exp(-928 + or - 56/T) cu cm per molecule per sec; the error quoted is 1 standard deviation. This is the first determination of the rate constant for the reaction NH2 + PH3. The data are compared with an estimate made in order to explain results of the radiolysis of NH3-PH3 mixtures. The Arrhenius parameters determined here for NH2 + PH3 are then contrasted with those for the corresponding reactions of H and OH with PH3.

Bosco, S. R.↗
NASA NTRS1983

The reaction NH2 + PH3 yields NH3 + PH2: Absolute rate constant measurement and implication for NH3 and PH3 photochemistry in the atmosphere of Jupiter

The rate constant is measured over the temperature interval 218-456 K using the technique of flash photolysis-laser-induced fluorescence. NH2 radicals are produced by the flash photolysis of ammonia highly diluted in argon, and the decay of fluorescent NH2 photons is measured by multiscaling techniques. For each of the five temperatures employed in the study, the results are shown to be independent of variations in PH3 concentration, total pressure (argon), and flash intensity. It is found that the rate constant results are best represented for T between 218 and 456 K by the expression k = (1.52 + or - 0.16) x 10 to the -12th exp(-928 + or - 56/T) cu cm per molecule per sec; the error quoted is 1 standard deviation. This is the first determination of the rate constant for the reaction NH2 + PH3. The data are compared with an estimate made in order to explain results of the radiolysis of NH3-PH3 mixtures. The Arrhenius parameters determined here for NH2 + PH3 are then constrasted with those for the corresponding reactions of H and OH with PH3.

Bosco, S. R.↗
NASA NTRS2021

Continental and Ecoregion-Specific Drivers of Atmospheric NO2 and NH3 Seasonality Over Africa Revealed by Satellite Observations

Ammonia (NH3) and nitrogen oxides (NOx: nitrogen dioxide (NO2) + nitric oxide (NO)) play important roles in atmospheric chemistry. Throughout most of Africa, emissions of these gases are predominantly from soils and biomass burning. Here we use observations of tropospheric NO2 vertical column densities (VCDs) from the Ozone Monitoring Instrument (OMI) from 2005 through 2017 and atmospheric NH3 VCDs from the Infrared Atmospheric Sounding Interferometer (IASI) from 2008 through 2017 to evaluate seasonal variation of NO2 and NH3 VCDs across Africa and in seven African ecoregions. In regions where mean annual precipitation (MAP) is under 500 mm/yr we find that NO2 and NH3 VCDs are positively related to monthly precipitation, and where MAP is between 500 and 1750 mm yr-1 or higher, NO2 VCDs are negatively related to monthly precipitation. In dry ecoregions, temperature and precipitation were important predictors of NH3 and NO2 VCDs, likely related to variation in soil emissions. In mesic ecoregions, monthly NO2 VCDs were strongly related to burned area, suggesting that biomass burning drives seasonality. NH3 VCDs in mesic ecoregions were positively related to both monthly temperature and monthly CO VCDs, suggesting that a mixture of soil and biomass burning emissions influenced NH3 seasonality. In northern mesic ecoregions monthly temperature explained most of the variance in monthly NH3 VCDs, suggesting that soil sources, including animal excreta, determined NH3 seasonality. In southern mesic ecoregions, monthly CO VCDs explained more variation in NH3 VCDs than temperature, suggesting that biomass burning may have greater influence over NH3 seasonality.

Jonathan E. Hickman↗
NASA NTRS1975

Measurements of NH3 absorption coefficients with a C-13/O-16/2 laser

Measurements of NH3 absorption coefficients are presented for several transitions of a C-13(O-16)2 laser for small concentrations of NH3(p less than 1 torr) for absorption lines broadened to 1 atm with N2. NH3 absorption coefficients were determined for laser transitions R(8)(920.2194 wavelengths/cm) to R(28)(933.8808 wavelengths/cm) of the 00 1 - (10 0,02 0)I band. The strongest absorption coefficient K = 36.09 + or - 1.43 per (atm-cm) was measured for the R(18) transition for the NH3 line, aQ(6,6), and is larger than has been found in any previous measurements with a CO2 laser. The dependence of K on total pressure was also obtained for select transitions, and the frequency separation between the R(18) laser transition and the neighboring NH3 line aQ(6,6) was determined to be 550 + or - 50 MHz. These results are significant for long path absorption monitoring of NH3 with CO2 lasers since the path length can be reduced by approximately 40% and for heterodyne detection of NH3 since the relative position of the laser transition to the NH3 absorption line is well within the bandpass of Hg-Cd-Te photomixers.

Allario, F.↗
NASA NTRS2013

Low Temperature Catalyst for NH3 Removal

Air revitalization technologies maintain a safe atmosphere inside spacecraft by the removal of C02, ammonia (NH3), and trace contaminants. NH3 onboard the International Space Station (ISS) is produced by crew metabolism, payloads, or during an accidental release of thermal control refrigerant. Currently, the ISS relies on removing NH3 via humidity condensate and the crew wears hooded respirators during emergencies. A different approach to cabin NH3 removal is to use selective catalytic oxidation (SCO), which builds on thermal catalytic oxidation concepts that could be incorporated into the existing TCCS process equipment architecture on ISS. A low temperature platinum-based catalyst (LTP-Catalyst) developed at KSC was used for converting NH3 to H20 and N2 gas by SCO. The challenge of implementing SCO is to reduce formation of undesirable byproducts like NOx (N20 and NO). Gas mixture analysis was conducted using FTIR spectrometry in the Regenerable VOC Control System (RVCS) Testbed. The RVCS was modified by adding a 66 L semi-sealed chamber, and a custom NH3 generator. The effect of temperature on NH3 removal using the LTP-Catalyst was examined. A suitable temperature was found where NH3 removal did not produce toxic NO, (NO, N02) and N20 formation was reduced.

Monje, Oscar↗
NASA NTRS1983

The NH3 spectrum in Saturn's 5 micron window

Spectra of Saturn's 5-micron window were obtained at the Infrared Telescope Facility on Mauna Kea, Hawaii. The spectra have a resolution of 1.2/cm, and some exhibit extremely low amounts of approximately 300-micron ppt telluric H2O. The Saturn spectra show absorptions by the 2nu2 band of NH3. Long-path laboratory comparison spectra of NH3 were acquired and show considerable deviations in intensity from theoretical predictions. The calibration of Saturn's observed NH3 features with the laboratory data gives 2.0 + or - 0.5 m-amagat of NH3 using the 2nu2 Q-branch at 5.32 microns. The R(1) and R(2) lines yield an abundance about 3 times greater. Absorptions outside the range of the Q-branch can be accounted for by solid NH3 of 10-20 microns equivalent path length. The origin of Saturn's 5-micron flux is mostly thermal with some admixture of solar reflected radiation. A depletion of Saturn's NH3 abundance below the solar value is indicated, but confirmation of this conclusion will require a better understanding of the atmospheric penetration depth at 5 microns and more rigorous modeling of the spectral line formation.

Bjoraker, G. L.↗
NASA NTRS1993

Condensation and vaporization studies of CH3OH and NH3 ices: Major implications for astrochemistry

In an extension of previously reported work on ices containing H2O, CO, CO2, SO2, H2S, and H2, we present measurements of the physical and infrared spectral properties of ices containing CH3OH and NH3. The condensation and sublimation behavior of these ice systems is discussed and surface binding energies are presented for all of these molecules. The surface binding energies can be used to calculate the residence times of the molecules on grain surfaces as a function of temperature. It is demonstrated that many of the molecules used to generate radio maps of and probe conditions in dense clouds, for example CO and NH3, will be significantly depleted from the gas phase by condensation onto dust grains. Attempts to derive total column densities solely from radio maps that do not take condensation effects into account may vastly underestimate the true column densities of any given species. Simple CO condensation onto and vaporization off of grains appears to be capable of explaining the observed depletion of gas phase CO in cold, dense molecular cores. This is not the case for NH3, however, where thermal considerations alone predict that all of the NH3 should be condensed onto grains. The fact that some gas phase NH3 is observed indicates that additional desorption processes must be involved. The surface binding energies of CH3OH, in conjunction with this molecule's observed behavior during warm up in H2O-rich ices, is shown to provide an explanation of the large excess of CH3OH seen in many warm, dense molecular cores. The near-infrared spectrum and associated integrated band strengths of CH3OH-containing ice are given, as are middle infrared absorption band strengths for both CH3OH and NH3.

Sandford, Scott A.↗
NASA NTRS2012

Mixing of Dust and NH3 Observed Globally over Anthropogenic Dust Sources

The global distribution of dust column burden derived from MODIS Deep Blue aerosol products is compared to NH3 column burden retrieved from IASI infrared spectra. We found similarities in their spatial distributions, in particular their hot spots are often collocated over croplands and to a lesser extent pastures. Globally, we found 22% of dust burden collocated with NH3, with only 1% difference between land-use databases. This confirms the importance of anthropogenic dust from agriculture. Regionally, the Indian subcontinent has the highest amount of dust mixed with NH3 (26 %), mostly over cropland and during the pre-monsoon season. North Africa represents 50% of total dust burden but accounts for only 4% of mixed dust, which is found over croplands and pastures in Sahel and the coastal region of the Mediterranean. In order to evaluate the radiative effect of this mixing on dust optical properties, we derive the mass extinction efficiency for various mixtures of dust and NH3, using AERONET sunphotometers data. We found that for dusty days the coarse mode mass extinction efficiency decreases from 0.62 to 0.48 square meters per gram as NH3 burden increases from 0 to 40 milligrams per square meter. The fine mode extinction efficiency, ranging from 4 to 16 square mters per gram, does not appear to depend on NH3 concentration or relative humidity but rather on mineralogical composition and mixing with other aerosols. Our results imply that a significant amount of dust is already mixed with ammonium salt before its long range transport. This in turn will affect dust lifetime, and its interactions with radiation and cloud properties

dust sources↗
DOE OSTI2026

Insights into the mechanisms of NH3 inhibition on Cu-CHA SCR catalysts

This work elucidates the atomic-scale mechanism behind ammonia (NH3) inhibition during the selective catalytic reduction (SCR) of NO? on Cu-CHA catalysts, a key issue limiting low-temperature emission control. Using SCR kinetic analysis, operando electron paramagnetic resonance (EPR) spectroscopy, and density functional theory (DFT), we demonstrate that NH3 inhibition primarily slows the oxidation half-cycle (OHC), while the reduction half-cycle (RHC) remains unaffected. DFT simulations reveal that excess NH3 substantially increases the diffusion barrier for CuI ions, hindering formation of essential CuII-oxo dimer intermediates and thus suppressing OHC kinetics. Operando EPR studies confirm that this inhibition strongly depends on operating temperature and catalyst Cu loading. Our findings highlight strategies to counteract NH3 inhibition, including optimizing Cu loading, precisely managing NH3:NO feed ratios, and enhancing CuI ion mobility through tailored catalyst design and operational adjustments, thereby advancing the efficiency of emission control technologies in automotive applications.

Deka, Dhruba Jyoti↗
NASA NTRS1982

The abundances of CH4, CH3D, NH3, and PH3 in the troposphere of Jupiter derived from high-resolution 1100-1200/cm spectra

High-resolution spectra of the 1100-1200/cm region of the central part of Jupiter obtained in March 1980 and April 1981 are analyzed. The best fit NH3 distribution curve reveals a higher than solar mixing ratio, the abundance of NH3 to that of H2 being (3.3 + or - 1.7) x 10 to the -4th, below the 147 K layer (greater than 0.6 atmosphere). If NH3 ice particles are introduced as an opacity source, the NH3 mixing ratio below the 147 K layer can be lowered, but the fit is worse than that given by the model that excludes NH3 ice particles. The best fit PH3 distribution curve exhibits a PH3/H2 mixing ratio of (8.3 + or - 2.0) x 10 to the -7th in the troposphere. In addition, a CH4/H2 mixing ratio of (2.5 + or - 0.4) x 10 to the -3rd is found in the troposphere.

Knacke, R. F.↗
NASA NTRS1985

Bonding of NH3 to Cu

Bagus et al. (1984) have studied the chemisorption of NH3 at the on-top site of Cu(100), using a cluster model, Cu5(1,4)NH3. On the basis of the value of the NH3 chemisorption energy obtained, it was concluded that NH3 chemisorbs directly above a Cu atom. In order to consider also other sites, Al(111) was substituted for Cu(100). Chemisorption on Al can be quite different from a transition metal, however, and questions arise regarding the suitability of the choice of the Al model. Thus, in this note, NH3 into hollows is considered for Cu(111). Attention is given to the conduction of self-consistent field calculations, problems of site determination, and the consideration of electrostatic interaction.

Bauschlicher, C. W., Jr.↗
NASA NTRS1993

Condensation and Vaporization Studies of CH3OH and NH3 Ices: Major Implications for Astrochemistry

In an extension of previously reported work on ices containing H20, CO, CO2, SO2, H2S, and H2, We present measurements of the physical and infrared spectral properties of ices containing CH30H and NH3.The condensation and sublimation behavior of these ice systems is discussed and surface binding energies are presented for all of these molecules. The surface binding energies can be used to calculate the residence times of the molecules on grain surfaces as a function of temperature. It is demonstrated that many of the molecules used to generate radio maps of and probe conditions in dense clouds, for example CO and NH3, will be significantly depleted from the gas phase by condensation onto dust grains. Attempts to derive total column densities solely from radio maps that do not take condensation effects into account may vastly underestimate the true column densities of any given species. Simple CO condensation onto and vaporization off of grains appears to be capable of explaining the observed 87 of gas phase CO in cold, dense molecular cores. This is not the case for NH3, however, where thermal considerations alone predict that all of the NH3 should be condensed onto grains. The fact that some gas phase NH3 is observed indicates that additional desorption processes must be involved. The surface binding energies of CH3OH, in conjunction with this molecule's observed behavior during warm up in H2O-rich ices, is shown to provide an explanation of the large excess of CH3OH seen in many warm, dense molecular cores. The near-infrared spectrum and associated integrated band strengths of CH3OH-containing ice are given, as are middle infrared absorption band strengths for both CH3OH and NH3.

Sandford, Scott A.↗
DOE OSTI2025

CoURAGE Urban Gas-Phase NH3

1-second Picarro gas-phase ammonia (NH3) measurements were collected as part of a 3-month intensive operation period (IOP) from mid-March through mid-June that was funded by the DOE Biological and Environment Research project in conjunction with the DOE ARM CoURAGE deployment to the greater Baltimore region. To complement the NH3 measurements at the Mt. Airy regional background S2 site, the Picarro G2103 NH3 analyzer was deployed at the urban atmospheric chemistry supersite ( 39.32057 N, 76.6246 W) to be able to compare and contrast urban vs regional NH3 and urban vs regional aerosol physicochemical properties.

Aerosol Acidity↗
DOE OSTI2025

Orientational Disorder of NH3 in Hexammine Magnesium Borohydride

Hexammine magnesium borohydride, Mg(NH3)6(BH4)2, consists of adducted NH3 molecules locked in a matrix of Mg cations and borohydride anions. It is a candidate material for hydrogen storage, with 16.8 wt % hydrogen stored in both the NH3 and borohydride anions. It may also be of interest as an Mg2+-conducting electrolyte in solid-state batteries. Its crystal structure has, until now, eluded a proper structural solution due to ambiguity regarding the NH3 position and behavior. In this work, we show using synchrotron X-ray diffraction that the room-temperature structure can be solved only with a model assuming the orientational disorder of ammonia molecules within the crystal structure. Cooling the sample to 120 K yields additional Bragg peaks, which can be solved only with a unit cell expansion consistent with the freezing of the orientational freedom of ammonia molecules. Using this insight from the structure solution, we performed a full assignment of the vibrational modes in the room-temperature infrared spectrum.

08 HYDROGEN↗