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NASA NTRS2017

The Origin of the Iron-Rich Knot in Tycho's Supernova Remnant

X-ray observations of supernova remnants (SNRs) allow us to investigate the chemical inhomogeneity of ejecta, offering unique insight into the nucleosynthesis in supernova explosions. Here we present detailed imaging and spectroscopic studies of the Fe knot located along the eastern rim of the Type Ia SNR Tycho ( SN 1572) using Suzaku and Chandra long-exposure data. Surprisingly, the Suzaku spectrum of this knot shows no emission from Cr, Mn, or Ni, which is unusual for the Fe-rich regions in this SNR. Within the framework of the canonical delayed-detonation models for SN Ia, the observed mass ratios M(sub Cr)/M(sub Fe) is less than 0.023, M(sub Mn)/M(sub Fe) is less than 0.012, and M(sub Ni)/M(sub Fe) is less than 0.029 (at 90% confidence) can only be achieved for a peak temperature of (5.3 - 5.7) x 10(exp. 9) K and a neutron excess of approximately less than 2.0 x 10(exp. -3). These constraints rule out the deep, dense core of a Chandrasekhar-mass white dwarf as the origin of the Fe knot and favor either incomplete Si burning or an Alpha-rich freeze-out regime, probably close to the boundary. An explosive He burning regime is a possible alternative, although this hypothesis is in conflict with the main properties of this SNR.

ISM supernova remnants↗
NASA NTRS2017

Robust Exploration and Commercial Missions to the Moon Using LANTR Propulsion and Lunar Liquid Oxygen Derived from FeO-Rich Pyroclastic Deposits

The nuclear thermal rocket (NTR) has frequently been identified as a key space asset required for the human exploration of Mars. This proven technology can also provide the affordable access through cislunar space necessary for commercial development and sustained human presence on the Moon. It is a demonstrated technology capable of generating both high thrust and high specific impulse (Isp approx.900 s) twice that of todays best chemical rockets. Nuclear lunar transfer vehicles consisting of a propulsion stage using three approx.16.5 klbf Small Nuclear Rocket Engines (SNREs), an in-line propellant tank, plus the payload can enable a variety of reusable lunar missions. These include cargo delivery and crewed lunar landing missions. Even weeklong tourism missions carrying passengers into lunar orbit for a day of sightseeing and picture taking are possible. The NTR can play an important role in the next phase of lunar exploration and development by providing a robust in-space lunar transportation system (LTS) that can allow initial outposts to evolve into settlements supported by a variety of commercial activities such as in-situ propellant production used to supply strategically located propellant depots and transportation nodes. The use of lunar liquid oxygen (LLO2) derived from iron oxide (FeO)-rich volcanic glass beads, found in numerous pyroclastic deposits on the Moon, can significantly reduce the launch mass requirements from Earth by enabling reusable, surface-based lunar landing vehicles (LLVs) using liquid oxygen/hydrogen (LO2/H2) chemical rocket engines. Afterwards, a LO2/H2 propellant depot can be established in lunar equatorial orbit to supply the LTS. At this point a modified version of the conventional NTR called the LOX-augmented NTR, or LANTR is introduced into the LTS allowing bipropellant operation and leveraging the mission benefits of refueling with lunar-derived propellants for Earth return. The bipropellant LANTR engine utilizes the large divergent section of its nozzle as an afterburner into which oxygen is injected and supersonically combusted with nuclear preheated hydrogen emerging from the engines choked sonic throat - essentially scramjet propulsion in reverse. By varying the oxygen-to-hydrogen mixture ratio, LANTR engines can operate over a range of thrust and Isp values while the reactor core power level remains relatively constant. A LANTR-based LTS offers unique mission capabilities including short transit time crewed cargo transports. Even a commuter shuttle service may be possible allowing one-way trip times to and from the Moon on the order of 36 hours or less. If only 1 of the extracted LLO2 propellant from identified resource sites were available for use in lunar orbit, such a supply could support daily commuter flights to the Moon for many thousands of years! The proposed paper outlines an evolutionary architecture and examines a variety of mission types and transfer vehicle designs, along with the increasing demands on LLO2 production as mission complexity and (Delta)V requirements increase. A comparison of vehicle features and engine operating characteristics, for both NTR and LANTR engines, is also provided along with a discussion of the propellant production and mining requirements associated with using FeO-rich volcanic glass as source material.

Nuclear rocket engines↗
NASA NTRS2018

Robust Exploration and Commercial Missions to the Moon Using Nuclear Thermal Rocket Propulsion and Lunar Liquid Oxygen Derived from FeO-Rich Pyroclasitc Deposits

The nuclear thermal rocket (NTR) has frequently been identified as a key space asset required for the human exploration of Mars. This proven technology can also provide the affordable access through cislunar space necessary for commercial development and sustained human presence on the Moon. It is a demonstrated technology capable of generating both high thrust and high specific impulse (I(sub sp) approx. 900 s) twice that of today's best chemical rockets. Nuclear lunar transfer vehicles-consisting of a propulsion stage using three approx. 16.5-klb(sub f) small nuclear rocket engines (SNREs), an in-line propellant tank, plus the payload-are reusable, enabling a variety of lunar missions. These include cargo delivery and crewed lunar landing missions. Even weeklong ''tourism'' missions carrying passengers into lunar orbit for a day of sightseeing and picture taking are possible. The NTR can play an important role in the next phase of lunar exploration and development by providing a robust in-space lunar transportation system (LTS) that can allow initial outposts to evolve into settlements supported by a variety of commercial activities such as in-situ propellant production used to supply strategically located propellant depots and transportation nodes. The use of lunar liquid oxygen (LLO2) derived from iron oxide (FeO)-rich volcanic glass beads, found in numerous pyroclastic deposits on the Moon, can significantly reduce the launch mass requirements from Earth by enabling reusable, surface-based lunar landing vehicles (LLVs)that use liquid oxygen and hydrogen (LO2/LH2) chemical rocket engines. Afterwards, a LO2/LH2 propellant depot can be established in lunar equatorial orbit to supply the LTS. At this point a modified version of the conventional NTR-called the LO2-augmented NTR, or LANTR-is introduced into the LTS allowing bipropellant operation and leveraging the mission benefits of refueling with lunar-derived propellants for Earth return. The bipropellant LANTR engine utilizes the large divergent section of its nozzle as an ''afterburner'' into which oxygen is injected and supersonically combusted with nuclear preheated hydrogen emerging from the engine's choked sonic throat-essentially ''scramjet propulsion in reverse.'' By varying the oxygen-to-hydrogen mixture ratio, LANTR engines can operate over a range of thrust and I(sub sp) values while the reactor core power level remains relatively constant. A LANTR-based LTS offers unique mission capabilities including short-transit-time crewed cargo transports. Even a ''commuter'' shuttle service may be possible allowing ''one-way'' trip times to and from the Moon on the order of 36 hours or less. If only 1% of the extracted LLO2 propellant from identified resource sites were available for use in lunar orbit, such a supply could support daily commuter flights to the Moon for many thousands of years! This report outlines an evolutionary architecture and examines a variety of mission types and transfer vehicle designs, along with the increasing demands on LLO2 production as mission complexity and velocity change delta V requirements increase. A comparison of vehicle features and engine operating characteristics, for both NTR and LANTR engines, is also provided along with a discussion of the propellant production and mining requirements associated with using FeO-rich volcanic glass as source material.

rocket↗
NASA NTRS2018

Comparison of Single-Element and Multi-Element Oxygen/RP-1 Oxidizer-Rich Staged-Combustion Injector Hot-Fire Test Results

As part of the Combustion Stability Tool Development project funded by the Air Force Space and Missile Systems Center, the NASA Marshall Space Flight Center designed, fabricated, assembled and hot-fire tested an oxygen/hydrocarbon propellant multi-element integrated test article that included an oxidizer-rich oxygen/hydrocarbon propellant preburner and a staged-combustion main injector. Also as part of this project, the Air Force Research Laboratory fabricated single-element main injectors of the same designs as used in the NASA multi-element injectors, and tested them in a staged-combustion integrated test article that used an oxidizer-rich oxygen/hydrogen propellant preburner. Final results of the multi-element and single-element staged-combustion main injector test programs are described in companion papers at this JANNAF meeting. The design, development, and preliminary test results of these main injectors have also been described in previous JANNAF papers. The main injector element designs were all based on relatively conventional gas-centered swirl coaxial injector element configurations such as used in Russian RD-170 and NK-33 engines, and planned for use in future U.S.-built experimental engine systems such as the Hydrocarbon Boost program demonstration engine. Four different elements were tested in both the multi-element and single-element main injectors, at similar combustion chamber pressures, chamber contraction ratios, and mixture ratios. Variations of the element features included recess depth, fuel gap width, and the presence of the sleeve separating the swirling fuel flow from the axial oxidizer flow. This paper compares the hydraulics, combustion performance, stability, and compatibility characteristics of the single-element and multi-element injectors operated at similar conditions. The single-element hardware is shown to have captured a significant level of the operability of the multi-element hardware.

Hulka, J. R.↗
NASA NTRS2020

Mineralogy and Petrology of Fine-Grained Calcium-Aluminum-Rich Inclusions from the Reduced CV3 Chondrite Thiel Mountains 07007

Calcium-Aluminum-rich inclusions (CAIs) are among the oldest Solar System solids, and studies of these objects have played an essential role in developing an understanding of chemical and physical processes that initiated and characterized key events related to the Solar System’s formation and evolution. CAIs occur as μm- to cm-sized inclusions in chondritic meteorites, particularly in carbonaceous chondrites, and consist of various refractory silicate and oxide phases (e.g., melilite, spinel, Al-Ti-rich diopside, hibonite, and corundum) that are predicted by thermodynamic models to be among the first solids to con-dense from a cooling gas of solar composition. Fine grained CAIs (FGIs) are important samples to probe volatility-driven condensation processes in the solar nebula, because they have escaped thermal processes (e.g., melting) experienced by coarse-grained CAIs. In order to explore the primary nebular history of FGIs, a detailed mineralogical and petrologic study is necessary. In this research effort, we constrained the mineralogy and petrology of two CAIs 07-10 and -11 from the reduced CV3 chondrite Thiel Mountains (TIL) 07007, with the aim of evaluating their provenance as nebular condensates.

Anderkin, C. J.↗
NASA NTRSDate not supplied

Organic-rich fluids in Pluto’s interior—A source of cryovolcanic activity

The highly variegated surface of Pluto revealed by the New Horizons spacecraft is composed of both volatile ices (N2, CH4, CO) and H2O ice, all of which are intrinsically colorless. The colors on Pluto reveal a non-ice component generally acknowledged to be a refractory complex organic material (tholins) produced by photolysis in the planet’s atmosphere [1], and by photolysis and radiolysis of the surface ices [2-4]. These processes have produced a range of colors from pale yellow to red to brown, and result in a variation of a factor of 10in albedo across the surface. Tholins are disordered polymer-like materials made of repeating chains of linked subunits and complex combinations of functional groups containing carbon. Nitrogen, oxygen, and other elements can be substituted in both the aliphatic and aromatic subunits. The detection of the spectral absorption of an ammoniated compound associated with surface exposures of red-colored H2O ice (herein, RAW) in the LEISA spectral mapping data from New Horizons suggests that a third source of a colored material is ejected from Pluto’s interior as a water-rich fluid(cryomagma) that rapidly freezes at the low temperature (~40K) of the surface [5,6]. The ammoniated compound is thought to be an ammonia hydrate or an ammoniated salt; the spectral data cover a limited wavelength range, resulting in ambiguity in the identification of the form of the ammonia. The distribution of RAW in the vicinity of tectonically stressed and deformed geological structures, particularly graben (fossae), is seen as the result of both fluid effusion and fountaining ejection of cryoclastic materials in Pluto’s Virgil Fossae region [5,6]. RAW is seen elsewhere on Pluto, both in association with graben complexes and on broad expanses of old surface, but primarily in zones of tectonic stress. The nature of the putative subsurface fluid is unknown, but it must have existed at relatively shallow depths such that the graben faulting could reach it. Geochemical modeling of fluids in the interiors of small planetary bodies in the outer Solar System[7] shows that ammonia-bearing H2O in contact with rock and metal components produce a rich chemical soup, including gases that can, in principle, help propel the fluid from shallow reservoirs through crustal fractures to reach the surface. An organic component of the fluid cryomagma is predicted to originate from thermal processing of the components [ref] and may be an example of one-pot synthesis of such complexes as amino acid precursors [ref].

Dale P Cruikshank↗
NASA NTRS2019

Grossite-Rich Refractory Inclusions in Carbonaceous Chondrites: Evidence for Early Generation of Different O-Isotope Reservoirs in the Protoplanetary Disk and O-Isotope Exchange During Fluid-Rock Interaction

The oxygen isotopic composition of the Sun inferred from the measurements of the solar wind returned by the Genesis spacecraft is O-16-enriched (△O-17 = -28.4±3.6‰) relative to the whole-rock O-isotope compositions of chondrites and achondrites, and chondrule phenocrysts, which all plot close to the terrestrial fractionation line (△O-17 ∼ ±5‰). Vast majority of refractory inclusions (CAIs and AOAs) in carbonaceous chondrites of petrologic types 2-3.0 are iso-topically uniform and have solar-like △O-17. In contrast, CAIs and AOAs in metamorphosed CV and CO chondrites are isotopically heterogeneous with melilite, anorthite, perovskite, Zr- and Sc-rich oxides and silicates, and occasionally Al, Ti-diopside being O-16-depleted relative to hibonite, spinel, Al-diopside, and forsterite. The timing of generation of different O-isotope reservoirs and the nature of O-isotope heterogeneity in refractory inclusions in CO3 and CV3 chondrites are poorly known. Grossite (CaAl4O7) is one of the first minerals predicted to condense from a gas of solar composition and therefore it could have recorded isotopic compositions of reservoirs during the earliest stages of the Solar System evolution. Here we report on O-isotope compositions of grossite-rich CAIs in CH3 and CO3 chondrites measured in situ with the UH Cameca ims-1280. For analytical procedures see [9].

A N Krot↗
NASA NTRSDate not supplied

Isotopic, Chemical, and Molecular Studies of Insoluble Organic Matter and C-Rich Presolar Grains in Murchison and Sutter'S Mill: Assessing the Impact of XCT and Preparation for Bennu Samples

Spectral observations of B-type asteroid Bennu by the OSIRIS-REx spacecraft show affinities to CM-type carbonaceous chondrites, being organic-rich [1, 2] with abundant hydrated minerals [3-5]. Here we analyzed acid insoluble residues from Bennu analog chondrites Murchison (CM2) and Sutter’s Mill (C) to assess the effects of parent body alteration on the insoluble organic matter (IOM) chemistry and isotopic compositions, as well as abundances of C-rich presolar grains. Because Bennu samples may undergo X-ray computed tomography (XCT) imaging during preliminary examination, it is necessary to understand the effects of irradiation, if any, on IOM. We therefore also analyzed a residue produced from XCT-imaged Murchison powder to assess any X-ray damage.

A. N. Nguyen↗
NASA NTRS2023

The 18–19 March 2022 Series of 3He-Rich Events Observed By Solar Orbiter at 0.36 Au Compared With EUV, X-Ray, and Radio Observations

Context. During the first close perihelion pass of Solar Orbiter, a series of impulsive 3He-rich solar particle events was observed on 18–19 March 2022 from a distance of 0.36 au. In addition to the energetic particle, radio, and X-ray data from Solar Orbiter, the events were observed in radio and/or extreme ultraviolet by STEREO-A, SDO, Wind, and Parker Solar Probe. Aims. Observations of the event series along with remote sensing of flaring and radio emission with only small timing delays due to the close distance allow the association with energetic particles to be determined with much higher accuracy than previously possible from 1 au. Methods. By comparing the onsets of type-III bursts with the arrival of electrons of tens of keV at Solar Orbiter only a few minutes later, it can be seen that, overall, each of the more intense type-III bursts was associated with an electron and ion injection. Extreme ultraviolet data show that the times of the type-III bursts coincide with emission from a small (approximately Earth-sized) loop to the west of a nearby active region. Results. The energetic particle spectra and abundances show typical properties of impulsive 3He-rich flares and, when combined with the remote sensing observations, establish that the particle-accelerating mechanism in this series of events operates near the solar surface in association with magnetic loops, and in the absence of other phenomena such as jets and small coronal mass ejections.

acceleration of particles↗
NASA NTRS2024

Recipes for Forming a Carbon–Rich Giant Planet

The exploration of carbon-to-oxygen ratios has yielded intriguing insights into the composition of close-in giant exoplanets, giving rise to a distinct classification: carbon-rich planets, characterized by a carbon–to–oxygen ratio ≥ 1 in their atmospheres, as opposed to giant planets exhibiting carbon–to–oxygen ratios close to the protosolar value. In contrast, despite numerous space missions dispatched to the outer solar system and the proximity of Jupiter, Saturn, Uranus, and Neptune, our understanding of the carbon-to-oxygen ratio in these giants remains notably deficient. Determining this ratio is crucial as it serves as a marker linking a planet’s volatile composition directly to its formation region within the disk. This article provides an overview of the current understanding of the carbon-to-oxygen ratio in the four gas giants of our solar system and explores why there is yet no definitive dismissal of the possibility that Jupiter, Saturn, Uranus, or Neptune could be considered carbon-rich planets. Additionally, we delve into the three primary formation scenarios proposed in existing literature to account for a bulk carbon-to-oxygen ratio ≥ 1 in a giant planet. A significant challenge lies in accurately inferring the bulk carbon-to-oxygen ratio of our solar system’s gas giants. Retrieval methods involve integrating in situ measurements from entry probes equipped with mass spectrometers and remote sensing observations conducted at microwave wavelengths by orbiters. However, these methods fall short of fully discerning the deep carbon-to-oxygen abundance in the gas giants due to their limited probing depth, typically within the 10–100 bar range. To complement these direct measurements, indirect determinations rely on understanding the vertical distribution of atmospheric carbon monoxide in conjunction with thermochemical models. These models aid in evaluating the deep oxygen abundance in the gas giants, providing valuable insights into their overall composition.

Protosolar nebula↗
NASA NTRS2023

High Tide or Riptide on the Cosmic Shoreline? A Water-Rich Atmosphere or Stellar Contamination for the Warm Super-Earth GJ 486b from JWST Observations

Planets orbiting M-dwarf stars are prime targets in the search for rocky exoplanet atmospheres. The small size of M dwarfs renders their planets exceptional targets for transmission spectroscopy, facilitating atmospheric characterization. However, it remains unknown whether their host stars’ highly variable extreme-UV radiation environments allow atmospheres to persist. With JWST, we have begun to determine whether or not the most favorable rocky worlds orbiting M dwarfs have detectable atmospheres. Here, we present a 2.8—5.2 µm JWST NIRSpec/G395H transmission spectrum of the warm (700 K, 40.3× Earth’s insolation) super-Earth GJ 486b (1.3 R⊕ and 3.0 M⊕). The measured spectrum from our two transits of GJ 486b deviates from a flat line at 2.2 − 3.3σ, based on three independent reductions. Through a combination of forward and retrieval models, we determine that GJ 486b either has a water-rich atmosphere (with the most stringent constraint on the retrieved water abundance of H2O > 10% to 2σ) or the transmission spectrum is contaminated by water present in cool unocculted starspots. We also find that the measured stellar spectrum is best fit by a stellar model with cool starspots and hot faculae. While both retrieval scenarios provide equal quality fits (χ2ν = 1.0) to our NIRSpec/G395H observations, shorter wavelength observations can break this degeneracy and reveal if GJ 486b sustains a water-rich atmosphere.

JWST↗
NASA NTRS2025

Abundant Ammonia and Nitrogen-Rich Soluble Organic Matter in Samples From Asteroid (101955) Bennu

Organic matter in meteorites reveals clues about early Solar System chemistry and the origin of molecules important to life, but terrestrial exposure complicates interpretation. Samples returned from the B-type asteroid Bennu by the Origins, Spectral Interpretation, Resource Identifcation, and Security–Regolith Explorer mission enabled us to study pristine carbonaceous astromaterial without uncontrolled exposure to Earth’s biosphere. Here we show that Bennu samples are volatile rich, with more carbon, nitrogen and ammonia than samples from asteroid Ryugu and most meteorites. Nitrogen-15 isotopic enrichments indicate that ammonia and other N-containing soluble molecules formed in a cold molecular cloud or the outer protoplanetary disk. We detected amino acids (including 14 of the 20 used in terrestrial biology), amines, formaldehyde, carboxylic acids, polycyclic aromatic hydrocarbons and N-heterocycles (including all fve nucleobases found in DNA and RNA), along with ~10,000 N-bearing chemical species. All chiral non-protein amino acids were racemic or nearly so, implying that terrestrial life’s left-handed chirality may not be due to bias in prebiotic molecules delivered by impacts. The relative abundances of amino acids and other soluble organics suggest formation and alteration by low-temperature reactions, possibly in NH3-rich fuids. Bennu’s parent asteroid developed in or accreted ices from a reservoir in the outer Solar System where ammonia ice was stable.

Daniel P Glavin↗
DOE OSTI2021

Separations Consortium: Lignin Rich Stream Fractionation and Purification

In support of the Bioenergy Technologies Office in converting lignin to fuels and chemicals, this project develops scalable separations based on membranes and Electordeionization (EDI) to recover low molecular weight (LMW) compounds from lignin rich streams. The project addresses three technology barriers in developing the bioeconomy; (1) Cost of production (2) Selective separation of organic acid species, and (3) Advanced bioprocess development. Specifically, membrane cascades using Tangential Flow Filtration (TFF) are investigated for the recovery of LMW lignin compounds from lignin rich streams such as Alkaline Pretreatment Liquor (APL), Reductive Catalytic Fractionation (RCF) oil, and Catalytic Oxidation oil. Process concepts, including dynamic filtration, are investigated to meet specific performance targets indicated by the consortium's Industrial Advisory Board for the membrane filtration including maintaining permeance > 1 LMH/bar and an overall cost target of < $1/kg of LMW lignin. EDI is investigated as an integral part of the membrane cascade to recover LMW aromatic acids and as an alternative to nanofiltration. Economic analysis of the processes is presented with a focus on minimizing energy consumption and capital expenditure. Furthermore, a sensitivity analysis is presented to identify key cost drivers and optimize holistic process operating conditions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Preparation of: I. intercalative metal oxide/conductive polymer composites as electrode materials for rechargeable batteries; II. sodium rich manganese oxide hydrate with capacity for aqueous Na-ion electrochemical energy storage

The present invention is directed at intercalative metal oxide/conductive polymer composites suitable for use as electrode materials for rechargeable batteries. The composites can be prepared by agitation of the metal oxide and the conductive polymer in aqueous media. The present invention is also directed at a sodium rich layered manganese oxide hydrate prepared by annealing manganese (II, III) oxide and sodium hydroxide. The sodium rich manganese (III, IV) oxide so formed indicates an enhanced capacity for Na-ion storage suitable for the use of electrode materials for aqueous energy storage.

Xiaowei, Teng↗
DOE OSTI2016

Alteration Behaviors of Granite Minerals Forming Calcium Silicate Hydrate under Ca-Rich Highly Alkaline Conditions - 16160

Cementitious materials used for geological disposal systems leach large amounts of alkaline ions (Ca{sup 2+}, Na{sup +}, K{sup +}) into groundwater, and alter the pH of groundwater by up to 13. The altered groundwater contacts the host rock and forms Calcium Silicate-Hydrate (CSH) through the interaction of Ca ions and the silicate species, which in turn clogs the flow paths of the host rock. This clogging effect in the flow paths is expected to retard the migration of radionuclides. A previous study reported the heterogeneous formation of CSH on the surface of granite under Carich and highly alkaline conditions. To clarify the formation process of CSH, this study examined the CSH formation with the dissolution of some minerals contained in the granite under Ca-rich and highly alkaline conditions. In the experiments, the granite block and the crushed minerals contained in the granite were immersed in a 6.4-8.5 mM Ca(OH){sub 2} solution adjusted pH to 12.5 by adding NaOH solution. As a result, biotite and anorthite supplied more Si to the formation of CSH than other minerals. Furthermore, most of the formed CSH precipitated on the solid surface although a little CSH remained in liquid phase as supernatant. These results suggest that under Ca-rich highly alkaline conditions the CSH formed as a secondary mineral will retard the migration of radionuclides released from the repository because of the clogging effect of the flow path. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Chemical Reactor Network Modeling of Ammonia Rich-Quench-Lean Combustion Using a Partially Stirred Reactor Approach

Ammonia is a promising alternative fuel, but its use is challenging due to low flammability and high nitrogen oxide (NOx) emissions. Two-stage rich-quench-lean (RQL) combustion strategies have shown promise in reducing NOx emissions. This approach involves two stages: a rich stage that oxidizes part of the fuel and decomposes ammonia into hydrogen, and a lean stage that burns out the hydrogen and residual ammonia. Researchers used a chemical reactor network model to study the effects of heat loss and mixing on emissions performance. They found that heat loss and reduced mixing rates can lead to increased NOx emissions and N2O formation. The results will inform the development of optimized two-stage RQL combustors for ammonia, with a focus on minimizing NOx emissions and improving overall efficiency.

ammonia combustion↗
DOE OSTI2025

Optimization of a Secondary Air Injector for a Rich-Quench-Lean (RQL) Ammonia Combustor Using Computational Fluid Dynamics

Ammonia has emerged as a promising medium for moving hydrogen around the globe due to its energy density, existing infrastructure for production, transportation, and storage, and multiple applications from fertilizer to power generation. However, one of the most significant challenges with ammonia combustion for power generation is the formation of nitrogen oxides (NOx) during combustion. Several combustion strategies have been developed to minimize the formation of NOx. One such strategy, known as rich-quench-lean (RQL), is a method that combusts NH3 in a fuel-rich environment, followed by a quick mix section and a lean burnout section. Rapid mixing of secondary air before lean burnout is thought to be important to minimize the formation of NOx. A genetic algorithm (GA) is used to parametrically vary the secondary air injector design, including the diameter, count, and angles over a constrained design space. The designs are evaluated using a non-reacting OpenFOAM model, with the objective function being the uniformity index of the secondary air (modeled as a scalar). Optimization campaigns show that traditional correlation-based designs might not be adequate. After running 414 OpenFOAM models, the optimal design is 32, 1 mm diameter, angled air injectors, increasing the uniformity index at the outlet of the quick mix zone by 36.8%. The most promising designs will be manufactured and tested in a small RQL burner setup, which is expected to lead to validation and insight into the practical usage of NH3 combustion for power generation.

ammonia combustion↗
DOE OSTI2025

Atomic Structural Features of Stacking Faults and Domain Connections in the Li- and Mn-Rich Cathode

Li- and Mn-rich layered oxides (LMRs), a class of earth-abundant materials for rechargeable Li-ion battery cathodes, crystallize into layered structures of two different symmetries: C2/m represented by Li 2 MnO 3 and R$\overline{3}$m represented by LiMn 0.5 Ni 0.5 O 2 . Fundamental questions about how the C2/m and R$\overline{3}$m domains spatially correlate within the same oxide grain and how the C2/m stacking faults arrange themselves when this happens still remain. Here, by using integrated differential phase contrast imaging in scanning transmission electron microscopy (STEM-iDPC), we probe the structural and compositional details of a prototypical, cobalt-free LMR material, 0.3Li 2 MnO 3 •0.7LiMn 0.5 Ni 0.5 O 2 (Li 1.13 Mn 0.57 Ni 0.3 O 2 ). The connection between the C2/m and R$\overline{3}$m domains is found to be abrupt, facilitated by the small lattice mismatch between the two structures. Stacking faults in the C2/m domains feature atomic plane shifting that accommodates stacking sequence changes, which explains why the stacking faults form in a random manner. Furthermore, a local disordering mechanism was identified to correlate with the C2/m stacking faults. Chemically, it is found that Ni coexists with Mn at the transition metal sites within the nominal Li 2 MnO 3 domain. As a result, this study demonstrates that STEM-iDPC is a very useful tool for capturing all the elements in a single image, revealing atomic details on domain connections and stacking faults in the LMRs.

Li-rich and Mn-rich oxides↗