SEARCH · Engineering Papers

Results for “AMMONIA”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 487 records · Page 27

All sources NASA NTRS DOE OSTI

DOE OSTI2014

n{sup +}-GaN grown by ammonia molecular beam epitaxy: Application to regrown contacts

We report on the low-temperature growth of heavily Si-doped (>10{sup 20 }cm{sup −3}) n{sup +}-type GaN by N-rich ammonia molecular beam epitaxy (MBE) with very low bulk resistivity (<4 × 10{sup −4} Ω·cm). This is applied to the realization of regrown ohmic contacts on InAlN/GaN high electron mobility transistors. A low n{sup +}-GaN/2 dimensional electron gas contact resistivity of 0.11 Ω·mm is measured, provided an optimized surface preparation procedure, which is shown to be critical. This proves the great potentials of ammonia MBE for the realization of high performance electronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations

The Landau–Zener (LZ) type classical-trajectory surface-hopping algorithm is applied to the nonadiabatic nuclear dynamics of the ammonia cation after photoionization of the ground-state neutral molecule to the excited states of the cation. The algorithm employs a recently proposed formula for nonadiabatic LZ transition probabilities derived from the adiabatic potential energy surfaces. The evolution of the populations of the ground state and the two lowest excited adiabatic states is calculated up to 200 fs. The results agree well with quantum simulations available for the first 100 fs based on the same potential energy surfaces. Three different time scales are detected for the nuclear dynamics: Ultrafast Jahn–Teller dynamics between the excited states on a 5 fs time scale; fast transitions between the excited state and the ground state within a time scale of 20 fs; and relatively slow partial conversion of a first-excited-state population to the ground state within a time scale of 100 fs. Beyond 100 fs, the adiabatic electronic populations are nearly constant due to a dynamic equilibrium between the three states. The ultrafast nonradiative decay of the excited-state populations provides a qualitative explanation of the experimental evidence that the ammonia cation is nonfluorescent.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2016

Enhanced and selective ammonia sensing of reduced graphene oxide based chemo resistive sensor at room temperature

The reduced graphene oxide thin films were fabricated by using the spin coating method. The reduced graphene oxide samples were characterised by Raman studies to obtain corresponding D and G bands at 1360 and 1590 cm{sup −1} respectively. Fourier transform infra-red (FTIR) spectra consists of peak corresponds to sp{sup 2} hybridisation of carbon atoms at 1560 cm{sup −1}. The reduced graphene oxide based chemoresistive sensor exhibited a p-type semiconductor behaviour in ambient conditions and showed good sensitivity to different concentration of ammonia from 25 ppm to 500 ppm and excellent selectivity at room temperature. The sensor displays selectivity to several hazardous vapours such as methanol, ethanol, acetone and hydrazine hydrate. The sensor demonstrated a sensitivity of 9.8 at 25 ppm concentration of ammonia with response time of 163 seconds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Dynamics and activity of an ammonia-oxidizing archaea bloom in South San Francisco Bay

Abstract Transient or recurring blooms of ammonia-oxidizing archaea (AOA) have been reported in several estuarine and coastal environments, including recent observations of AOA blooms in South San Francisco Bay. Here, we measured nitrification rates, quantified AOA abundance, and analyzed both metagenomic and metatranscriptomic data to examine the dynamics and activity of nitrifying microorganisms over the course of an AOA bloom in South San Francisco Bay during the autumn of 2018 and seasonally throughout 2019. Nitrification rates were correlated with AOA abundance in quantitative polymerase chain reaction (PCR) data, and both increased several orders of magnitude between the autumn AOA bloom and spring and summer seasons. From bloom samples, we recovered an extremely abundant, high-quality Candidatus Nitrosomarinus catalina-like AOA metagenome-assembled genome that had high transcript abundance during the bloom and expressed >80% of genes in its genome. We also recovered a putative nitrite-oxidizing bacteria metagenome-assembled genome from within the Nitrospinaceae that was of much lower abundance and had lower transcript abundance than AOA. During the AOA bloom, we observed increased transcript abundance for nitrogen uptake and oxidative stress genes in non-nitrifier metagenome-assembled genomes. This study confirms AOA are not only abundant but also highly active during blooms oxidizing large amounts of ammonia to nitrite—a key intermediate in the microbial nitrogen cycle—and producing reactive compounds that may impact other members of the microbial community.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2015

Nitridation of an unreconstructed and reconstructed (√31 ×√31)R ± 9° (0001) sapphire surface in an ammonia flow

This paper is devoted to the study of the nitridation of unreconstructed and reconstructed (√31 ×√31)R ± 9° (0001) sapphire surfaces in an ammonia flow by reflection high-energy electron diffraction (RHEED). The experimental results show that sapphire nitridation occurs on the unreconstructed (1 × 1) surface, which results in AlN phase formation on the substrate surface. However, if sapphire nitridation is preceded by high-temperature annealing (1150°C) resulting in sapphire surface reconstruction with formation of the (√31 ×√31)R ± 9° surface, the crystalline AlN phase on the sapphire surface is not formed during surface exposure to an ammonia flow.

36 MATERIALS SCIENCE↗

DOE OSTI2023

A Modeling Study on Ammonia and Ammonia/Hydrogen Kinetics for Gas Turbine Engines

The use of ammonia as a fuel source in gas turbine engine power cycles represents an attractive means to decarbonize the energy sector due to higher energy density and achieving liquid state at far lower pressures compared to pure hydrogen. However, due to low flammability and a propensity for high NOx emissions, its use is not without challenge. Here, a number of 0D and 1D modeling tools were utilized to study the combustion characteristics of ammonia and ammonia/hydrogen mixtures, examining basic fundamental properties such as laminar flame speed, variability among existing chemical kinetic mechanisms, and considering the use of two-stage rich-lean combustion strategies to achieve low NOx emissions.

42 ENGINEERING↗

DOE OSTI2015

Influence of Pressure on Physical Property of Ammonia Borane and its Re-hydrogenation

The project systematically studied the high pressure behavior of ammonia borane and its derivative lithium amidoborane. Phase transitions in these materials are investigated in the pressure range up to 20 GPa and temperature range from 80 K to 400K. A number of new phase transitions are discovered in this pressure and temperature range including a second order transformation at 5 GPa and a first order transformation at 12 GPa at room temperature, and four new transitions at high pressure and low temperatures. The Clapeyron slopes for both pressure-induce tetragonal (I4mm) phase to orthorhombic (Cmc21) phase and temperature-induce tetragonal (I4mm) phase to orthorhombic (Pmn21) phase are determined to be positive, indicating these phase transitions are exothermic. This result demonstrates that the high pressure orthorhombic phase of ammonia borane has lower enthalpy than that of tetragonal phase at ambient conditions. If we assume decomposition from the orthorhombic phase yields the same products as that from the tetragonal phase, the decomposition of the orthorhombic phase will be less exothermic. Therefore rehydrogenation from the decomposed product into the orthorhombic phase at high pressure may become easier. The project also studied the influences of nanoconfinement on the phase transitions. Comparative study using Raman spectroscopy indicates that the temperature induced I4mm to Pmn21 transition is suppressed from 217 K to 195 K when the sample is confined in SBA15 (7-9 nm pore size). When the pore size is reduced from 7-9 nm to 3-4 nm, this transition is totally suppressed in the temperature down to 80 K. A similar influence of the nanoconfiement on pressure induced phase transitions is also observed using Raman spectroscopy. The phase boundary between the I4mm phase and high pressure Cmc21 phase at ambient temperature shifts from 0.9 GPa to 0.5 GPa; and that between the Cmc21 phase and higher pressure P21 phase shifts from 10.2 GPa to 9.7 GPa.

08 HYDROGEN↗

DOE OSTI2025

Emissions Characterization for Ammonia Fuel Blends in an Enclosed Swirl-Stabilized Diffusion Burner

This study investigates ammonia flames using the enclosed Sydney swirl burner (ESSB), focusing on detailed global emissions measurements. Emissions were measured via Fourier-transform-infrared (FTIR) spectrometer, utilizing a heated, long-path absorption cell. Hot, wet measurements of pertinent species were collected, and concentrations were determined via lineshape fitting in conjunction with the HITRAN database. Results show that partially cracked ammonia compositions yield lower emissions compared to pure NH3/H2, and small amounts of NH3 addition to CH4-containing fuel blends exhibit high levels of NOx and CO, with measurable HCN and unburnt CH4. Equilibrium calculations suggest trade-offs between chemical timescale, heat loss, and mixing. Future work will explore emissions sampling procedures and expand analysis using chemical reactor network modelling.

ammonia combustion↗

DOE OSTI2024

Core Model Proposal #389: Ammonia Trade and Miscellaneous GCAM 7.0 Bugfixes

This proposal re-structures the N fertilizer sector in the model, replacing the trade structure which was implemented before GCAM had the capability to trade secondary goods between regions, and re-naming the production commodity "ammonia" in order to better set up the model for representing ammonia as an energy carrier in subsequent work. Several bugfixes for GCAM 7.0 are also included in the proposal.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

1D Simulation of Avalanche to Streamer to Spark Transition of Plasma Discharge in Ammonia-Air Combustion

The backward problem of plasma assisted combustion emphasizes evaluating the effect of the evolving thermochemical state on the plasma discharge. This paper investigates the dependence of avalanche to streamer to spark formation dynamics and kinetics on the gas composition and temperature at different points in an ammonia-air premixed laminar flame using a self-consistent multigrid-based 1D plasma solver. Different values of ..alpha.., the coefficient for effective ionization events per unit length, have been reported for electron avalanches in air and stoichiometric NH3-air mixtures. The streamer inception has been shown to obey the Meek's criterion. An exponential reduction in streamer and spark formation time has been observed from plasma simulations at different points in the unburnt, pre-heat zone, reaction zone and the fully burnt regions of the premixed flame. While the enhancement of the reduced electric field with increasing temperature affects effective ionization, there exists a minimum breakdown field for streamer formation, which does not vary proportionally with the changing number density of the gas. The change in the mixture from reactants (NH3, O2, N2) to products of complete combustion of ammonia in air (N2, H2O) has also been shown to affect the streamer and spark formation. Finally, the major pathways during the streamer and spark phases which are responsible for producing important radicals used in combustion of NH3 are also discussed.

ADVANCED PROPULSION SYSTEMS,INORGANIC, ORGANIC, PH↗

DOE OSTI2024

Promoted Ru/PrOx Catalysts for Mild Ammonia Synthesis

Ammonia synthesis is one of the most important chemical reactions. Due to thermodynamic restrictions and the reaction requirements of the current commercial iron catalysts, it is also one of the worst reactions for carbon dioxide emissions and energy usage. Ruthenium-based catalysts can substantially improve the environmental impact as they operate at lower pressures and temperatures. In this work, we provide a screening of more than 40 metals as possible promoter options based on a Ru/Pr2O3 catalyst. Cesium was the best alkali promoter and was held constant for the series of double-promoted catalysts. Ten formulations outperformed the Ru-Cs/PrOx benchmark, with barium being the best second promoter studied and the most cost-effective option. Designs of experiments were utilized to optimize both the pretreatment conditions and the promoter weight loadings of the doubly promoted catalyst. As a result, optimization led to a more than five-fold increase in activity compared to the unpromoted catalyst, therefore creating the possibility for low-ruthenium ammonia synthesis catalysts to be used at scale. Further, we have explored the roles of promoters using kinetic analysis, X-ray Photoelectron Spectroscopy (XPS), and in situ infrared spectroscopy. Here, we have shown that the role of barium is to act as a hydrogen scavenger and donor, which may permit new active sites for the catalyst, and have demonstrated that the associative reaction mechanism is likely used for the unpromoted Ru/PrOx catalyst with hydrogenation of the triple bond of the dinitrogen occurring before any dinitrogen bond breakage.

Chemistry↗

DOE OSTI2020

Surface-Controlled Conversion of Ammonia Borane from Boron Nitride

“One-pot regeneration”, which is simple regneneration method of ammonia borane (AB) using hydrazine and liquid ammonia, enables conversion of AB from hexagonal boron nitride (h-BN) after milling hydrogenation. Solution 11 B-NMR revealed the presence of AB after NH 3 /N 2 H 4 treatment of milled h-BN (BNH x ) although the yield of AB was less than 5%. The conversion mechanism was clarified as B-H bonds on the h-BN surface created by ball-milling under hydrogen pressure have an ability to form AB, which was confirmed by Thermogravimetry-Residual Gas Analysis (TG-RGA) and Infrared (IR) analysis. The reaction routes are also the same as regeneration route of polyborazylene because intermediates of AB such as (B(NH 2 ) 3 and hydrazine borane were found by solution 11 B-NMR after soaking BNH x in liquid NH 3 and hydrazine, respectively. Because of the fact that all reactions proceed on the h-BN surface and no reaction proceeds when neat h-BN is treated, breaking of B 3 N 3 ring structure and then creation of B-H bond is the key issue to increase conversion yield of AB.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

EFFECTIVE HYPERFINE-STRUCTURE FUNCTIONS OF AMMONIA

The hyperfine structure of the rotation-inversion ( v {sub 2} = 0{sup +}, 0{sup −}, 1{sup +}, 1{sup −}) states of the {sup 14}NH{sub 3} and {sup 15}NH{sub 3} ammonia isotopomers is rationalized in terms of effective (ro-inversional) hyperfine-structure (hfs) functions. These are determined by fitting to available experimental data using the Hougen’s effective hyperfine-structure Hamiltonian within the framework of the non-rigid inverter theory. Involving only a moderate number of mass independent fitting parameters, the fitted hfs functions provide a fairly close reproduction of a large majority of available experimental data, thus evidencing adequacy of these functions for reliable prediction. In future experiments, this may help us derive spectroscopic constants of observed inversion and rotation-inversion transitions deperturbed from hyperfine effects. The deperturbed band centers of ammonia come to the forefront of fundamental physics especially as the probes of a variable proton-to-electron mass ratio.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2016

WATER MASERS IN THE ANDROMEDA GALAXY. I. A SURVEY FOR WATER MASERS, AMMONIA, AND HYDROGEN RECOMBINATION LINES

We report the results of a Green Bank Telescope survey for water masers, ammonia (1, 1) and (2, 2), and the H66 α recombination line toward 506 luminous compact 24 μ m emitting regions in the Andromeda Galaxy (M31). We include the 206 sources observed in the Darling water maser survey for completeness. The survey was sensitive enough to detect any maser useful for ∼10 μ as yr{sup 1} astrometry. No new water masers, ammonia lines, or H66 α recombination lines were detected individually or in spectral stacks reaching rms noise levels of ∼3 mJy and ∼0.2 mJy, respectively, in 3.1–3.3 km s{sup 1} channels. The lack of detections in individual spectra and in the spectral stacks is consistent with Galactic extrapolations. Contrary to previous assertions, there do not seem to be any additional bright water masers to be found in M31. The strong variability of water masers may enable new maser detections in the future, but variability may also limit the astrometric utility of known (or future) masers because flaring masers must also fade.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

High-resolution observations of molecular lines in ARP 220: kinematics, morphology, and limits on the applicability of the ammonia thermometer

We observe Arp 220, the nearest ultra-luminous infrared galaxy, over 4 GHz in the K and Ka bands, providing constraints for the kinematics and morphology, and identifying molecular species on scales resolving both nuclei (0.″6 or 230 pc). We detect multiple molecular species, including hydroxyl (OH {sup 2}Π{sub 3/2}J=9/2F=4−4;5−5) in both cores, and tentatively detect H{sub 2}O(6{sub 15}-5{sub 23}) at ∼21.84 GHz in both nuclei, indicating the likely presence of maser emission. The observed frequency range also contains metastable ammonia transitions from (J, K) = (1, 1)–(5, 5), as well as the (9, 9) inversion line; together, they are a well-known thermometer of dense molecular gas. Furthermore, the non-metastable (4, 2) and (10, 9), and possibly the (3, 1), lines are also detected. We apply a standard temperature analysis to Arp 220; however, the analysis is complicated in that standard local thermal equilibrium (LTE) assumptions do not hold. There are indications that a substantial fraction of ammonia could be in the non-metastable transitions, as opposed to only the metastable ones. Thus, the non-metastable transitions could be essential to constraining the temperature. We compare all of these data to ALMA observations of this source, confirming the outflow previously observed by other tracers in both nuclei.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2014

Determination of Ammonia Oxidizing Bacteria and Nitrate Oxidizing Bacteria in Wastewater and Bioreactors

The process of water purification has many different physical, chemical, and biological processes. One part of the biological process is the task of ammonia oxidizing bacteria (AOB) and nitrite oxidizing bacteria (NOB). Both play critical roles in the treatment of wastewater by oxidizing toxic compounds. The broad term is nitrification, a naturally occurring process that is carried out by AOB and NOB by using oxidation to convert ammonia to nitrite and nitrite to nitrate. To monitor this biological activity, bacterial staining was performed on wastewater contained in inoculum tanks and biofilm samples from bioreactors. Using microscopy and qPCR, the purpose of this experiment was to determine if the population of AOB and NOB in wastewater and membrane bioreactors changed depending on temperature and hibernation conditions to determine the optimal parameters for AOB/NOB culture to effectively clean wastewater.

Bioreactors↗

NASA NTRS2011

Laboratory Simulations of Ammonia-Rich Oceans in Icy Worlds

Improved equations of state for ammonia-water solutions are important for properly understanding the interiors of large icy satellites hosting deep interior oceans. Titan is the primary example of such a world, but water-rich dwarf planets Measurements of solution density are now possible at relevant pressures (above approx. 250 megapascals) using the Simulator for Icy World Interiors. Analysis of sound velocity measurements in aqueous magnesium sulfate obtained in our laboratory, shows a correction on the order of 5% to 700 megapascals (7 kilobar) from -20 to 100 C and to 3 m (approx. 30 percentage by weight) concentration. Accurate prediction of density as a function of pressure, temperature, and ammonia concentration are needed for interpretation of remote observations to address questions of interior liquid layer depth, composition, and fluid dynamics.

equations of state↗

NASA NTRS2011

Titan's Ammonia Feature

NH3 has long been considered an important component in the formation and evolution of the outer planet satellites. NH3 is particularly important for Titan, since it may serve as the reservoir for atmospheric nitrogen. A brightening seen on Titan starting in 2004 may arise from a transient low-lying fog or surface coating of ammonia. The spectral shape suggests the ammonia is anhydrous, a molecule that hydrates quickly in the presence of water.

ammonia↗