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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Fe- and Ru-H-Mordenites for Polyethylene Upcycling: Insights from Thermo-Catalytic Pyrolysis and DFT Studies

Catalytic pyrolysis of polyethylene (PE) was performed using Fe- and Ru-impregnated H-mordenite (HM) catalysts to produce lighter hydrocarbons. Catalyst surface areas were analyzed by N 2 adsorption−desorption and acidity by NH 3 - TPD studies. Reducibility of metal from H 2 -TPR, experiments indicate multiple oxidation states of Fe due to higher H 2 consumption. The catalyst activity studies monitored by GC− MS analysis highlight the importance of temperature and PE: catalyst ratio in optimizing hydrocarbon selectivity to C 1 −C 4 alkanes and C 2 −C 5 olefins. Studies with polymer-to-catalyst ratios of 1:1 and 1:2 at higher temperature increased PE conversion with stronger acid sites favoring conversion and moderate acid sites improving selectivity toward lighter olefins. While propane dominated at lower temperatures, propene was the main product at 500 °C. Both catalysts exhibited overall similar conversion, while Ru-HM yielded >40% propene selectivity compared to <40% for Fe-HM. Ethylene selectivity exceeded 10% in both cases. Density functional theory simulations using a C 4 surrogate on Ru-HM confirmed that late-stage cracking dominates dehydrogenation, validating the proposed reaction mechanism.

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

CO Reduction to Ethylene and Cyclopropane via a Trappable Ruthenium Methylidene

Ruthenium complexes based on cis-[Ru(bpy) 2 (CO) 2 ] 2+ (bpy is 2,2′-bipyridine) can reduce CO 2 and CO to C 1 products including methanol, but access to products containing C–C bonds has been elusive. A reaction pathway to convert CO into multicarbon products ethylene and cyclopropane is presented here, along with mechanistic studies elucidating the key intermediates in C–C bond formation. The ruthenium hydroxymethyl complex [Ru(bpy′) 2 (CO)(CH 2 OH)] + (bpy′ = 5,5′-dimethyl-2,2′-bipyridine) undergoes protonolysis to generate the ethylene complex [Ru(bpy′) 2 (CO)(C 2 H 4 )] 2+ even at −80 °C, with free ethylene released upon warming to room temperature. Experimental evidence implicates a highly electrophilic methylidene complex [Ru(bpy′) 2 (CO)(CH 2 )] 2+ as the key intermediate. The methylidene was successfully trapped with nitriles and pyridine, forming adducts (ylide complexes) that each have a unique reactivity profile. With an appropriate nitrile, the adduct can be characterized at low temperature before warming generates ethylene. A more stable pyridine adduct [Ru(bpy′) 2 (CO)(CH 2 pyridine)] 2+ was crystallographically characterized. Even ethylene itself is sufficiently nucleophilic to react with the electrophilic methylidene, revealing a route from CO to the C 3 hydrocarbon cyclopropane. Furthermore, the methods for controlling the reactivity of hydroxymethyl and methylidene complexes toward C–C bond formation can inform the development of CO and CO 2 reduction catalysts.

Carbene Compounds↗
DOE OSTI2025

An Unconventional Dark Radical Chemistry in Dense Molecular Clouds: Directed Gas-Phase Formation of Naphthyl Radicals

The synthetic pathways to aromatic molecules inside photon-shielded dense molecular clouds remain a fundamental, unsolved enigma in astrochemistry and astrophysics, with low-temperature molecular growth routes involving aromatic radicals, such as prototype bicyclic naphthyl (C 10 H 7 • ), implicated as key sources. Here, exploiting crossed molecular beam experiments augmented by electronic structure calculations, unexpected pathways are exposed leading to the gas-phase formation of 1- and 2-naphthyl via barrierless bimolecular reactions of atomic carbon (C) with indene (C 9 H 8 ) and of dicarbon (C 2 ) with styrene (C 8 H 8 ) accompanied by ring expansion and cyclization together with aromatization. These facile routes challenge conventional wisdom that aromatic radicals are formed in deep space solely via “bright” gas-phase photochemistry of their closed-shell polycyclic aromatic hydrocarbon (PAH) precursors. A hitherto disregarded “dark” aromatic radical chemistry with aromatic radicals synthesized via gas-phase reactions offers new concepts on the chemical evolution of the chemistry of dark molecular clouds eventually culminating in the rapid formation of aromatics, fullerenes, and carbonaceous nanostructures.

Aromatic compounds↗
DOE OSTI2026

Leveraging Stereochemistry to Optimize the Properties of Polyhydroxyalkanoates

The recycling of low-density polyethylene (LDPE) is challenging due to difficulties with sorting and contamination, leading to environmental harm. Polyhydroxyalkanoates (PHAs) are at the forefront of high-performance biodegradable alternatives to olefinic plastics, but few offer LDPE-like properties such as low strength and crystallinity while maintaining high ductility and thermal stability. Herein, we report a series of isoenriched transpoly( 3-hydroxy-2-methylbutyrates) (trans-PHMBs) with tunable mechanical and thermal properties. These polymers were synthesized through ring-opening polymerization of racemic trans-3,4-dimethylpropiolactone (rac-trans-DMPL), sourced from C1 and C4 feedstocks, using a new class of “sandwich” C 2 symmetric rac-( Ar BDI*)ZnO i Pr catalysts (where BDI = β-diketiminate). Variation of aromatic groups (Ar) and polymerization temperature yielded mm%s between 45−79% and melting temperatures (T m ) between 141−174 °C. trans-PHMB with intermediate isotacticities of 73 and 75 mm% exhibit similar stress−strain profiles to LDPE, indicating that these polymers have the potential to serve as higher melting, degradable substitutes for LDPE.

Biopolymers↗
DOE OSTI2026

Machine-learning guided search for phonon-mediated superconductivity in boron and carbon compounds

We present a workflow that iteratively combines ab-initio calculations with a machine-learning (ML) guided search for superconducting compounds with both dynamical stability and instability from imaginary phonon modes, the latter of which have been largely overlooked in previous studies. Electron-phonon coupling (EPC) properties and critical temperature (T c ) of 417 boron, carbon, and borocarbide compounds have been calculated with density functional perturbation theory (DFPT) and isotropic Eliashberg approximation. Our study addresses T c convergence of Brillouin zone sampling with an ansatz test, stabilizing imaginary phonon modes for significant EPC contributions, and comparing the performance of two ML models, especially when including compounds of dynamical instability. We predict a few promising superconducting compounds with formation energy just above the ground state convex hull, such as Ca 5 B 3 N 6 (35 K), TaNbC 2 (28.4 K), Nb 3 B 3 C (16.4 K), Y 2 B 3 C 2 (4.0 K), Pd 3 CaB (7.0 K), MoRuB 2 (15.6 K), RuVB 2 (15.0 K), RuSc 3 C 4 (6.6 K) among others.

Nepal, Niraj K. [Ames Laboratory (AMES), Ames, IA ↗
DOE OSTI2026

Lithium metal-mediated electrochemical reduction of per- and poly-fluoroalkyl substances

Per- and poly-fluoroalkyl substances (PFAS) have substantial environmental and health hazards. Unfortunately, current degradation routes require high temperatures or corrosive conditions and/or lead to incomplete defluorination and the generation of shorter alkyl chains. Inspired by the lithium-metal battery literature, here we develop an electrochemical degradation process that leverages reactive metals and highly reducing environments. Here, we show that electrodeposited lithium metal can enable 95% degradation and 94% defluorination of perfluorooctanoic acid to LiF without forming any shorter C 2 –C 6 PFAS as end products. Using computational simulations, we find that electron transfer from lithium to perfluorooctanoic acid leads to rapid C–F bond cleavage, fluoride formation and carbon chain fragmentation. We expand the scope to other PFAS compounds and demonstrate substantial degrees of degradation on over 22 different PFAS, plus complete mineralization to inorganic fluorides. Finally, we use the mineralized F − as a fluorine source for the synthesis of fluorinated non-PFAS compounds to complete a circular fluorine loop from waste to valuable product.

Sarkar, Bidushi [Univ. of Chicago, IL (United Stat↗
DOE OSTI2025

Why the electron chooses one of two symmetry-related paths in the type II bacterial photosynthetic reaction centers

A series of electron and proton transfer reactions are carried out in photosynthetic reaction centers that convert the energy of light into high energy reduced products and add to the proton gradient. All photosynthetic reaction centers (photosystems I, II, and different bacterial reaction centers (bRCs)) have their charge separating cofactors arranged with two, c 2 -symmetric paths from a primary donor to a terminal acceptor. In Type II reaction centers (PSII and bRCs), electrons utilize only one active branch. In bRCs the electron transfer occurs in the A branch from the excited state of the bacteriochlorophyll (BChl) dimer P 860 through BChl A , bacteriopheophytin A (BPh A ), to ubiquinone Q A , and then to the B-branch Q B . B-branch BChl B and BPh B do not participate. A similar path is found in PSII. These proteins challenge our understanding of how proteins can turn on or turn off the activity of bound ligands. The shift of the electrochemical midpoint potential (E m ) of each cofactor by the protein environment is calculated using continuum electrostatics within the Multi-Conformation Continuum Electrostatic (MCCE) program. In bRCs from Rhodobacter sphaeroides, the electrostatic potentials favor reduction of the active branch cofactors. The residues that contribute to a more positive potential on the A branch are identified. These are often distant from the cofactors. The large difference of the potential at the competing BChls may direct the electron transfer to the A branch. Residues TyrM210 and PheL181 are at symmetrical positions on the A and B branches, near P 860 , between BChl A and BChl B . Mutated bRCs, that swap the Tyr and Phe (YF mutant), have been shown to support some electron transfer to the B-branch cofactors. Here, the calculated E m s with the YF swap show more positive B-branch potentials, which help explain why there is now electron transfer along the B branch.

Bacterial Reaction Center↗
DOE OSTI2025

Mixed polyamide and polyester upcycling via chemical autoxidation and engineered Pseudomonas putida

Polyamides, such as nylons, are often used in multi-component materials, like textiles and packaging, and are accompanied with unique recycling challenges. Recently, autoxidation and bioconversion has emerged as a tandem approach for the conversion of mixed plastics waste to single products, however the fate of polyamides in these processes is unknown. Here, we optimized the autoxidation of nylon-6 and nylon-6,6 depolymerization, achieving >92 mol% nitrogen recovery from both substrates, predominantly as acetamide, and 20–27 mol% carbon recovery (not including acetamide). Experiments with 13 C-labeled acetic acid demonstrated that the carbon in acetamide was solvent derived. Autoxidation of mixed nylon-6 and poly(ethylene terephthalate) (PET) post-consumer fibers resulted in similar carbon and nitrogen recoveries from nylon, while PET was depolymerized to terephthalic acid (TPA) at >65 C-mol% recovery. Next, we engineered Pseudomonas putida KT2440 to utilize acetamide as the sole carbon and nitrogen source for growth through the constitutive expression of genes encoding amidase enzymes, including a native amidase (PP_0613) shown to be active on C 2 –C 4 amides. Heterologous chromosomal expression of amiE, encoding the amidase from P. aeruginosa, was found to be superior to PP_0613 constitutive expression in genome integrated strains. Prior engineering to enable TPA conversion to β-ketoadipate pathway intermediate protocatechuate was leveraged and combined with deletion of pcaD to produce muconolactone as a product. Finally, a stacked strain engineered for conversion of acetamide, TPA, and DCAs was evaluated on the reaction product from autoxidation of mixed post-consumer nylon and PET fibers without any supplemental nitrogen, achieving quantitative yields in the presence of supplemental carbon.

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

Gas-phase synthesis of naphthalene through an unconventional thermal alkyne–alkene [2 + 2] cycloaddition mechanism

Exotic cycloaddition entrance channels were discovered for the bimolecular gas-phase reactions of the phenylethynyl radical (C 6 H 5 CC, X 2 A 1 ) with ethylene-d 4 (C 2 D 4 ) and propylene (C 3 H 6 ) as explored under single-collision conditions utilizing the crossed molecular beams technique combined with electronic structure and statistical calculations. Connecting the concepts of barrierless entrance channels, excited states, and facile non-photochemically activated cycloadditions, the reaction pathway features an unconventional thermal [2 + 2] cycloaddition forming a four-membered ring collision complex followed by multiple isomerizations prior to unimolecular decomposition via atomic hydrogen loss to (un)substituted naphthalenes—naphthalene-d 4 (C 10 H 4 D 4 ) and 1-/2-methylnaphthalene (C 11 H 10 ). The small energy gap between the singly-occupied a 1 highest occupied molecular orbital (HOMO) with a σ-character and the underlying doubly-occupied b 1 molecular orbital with a π-character allows a facile promotion of an electron. This in turn enables a versatile low-temperature reactivity of phenylethynyl, where the end-on and side-on barrierless approaches of ethylene are due to its interaction with the σ and π orbitals, respectively, thus suggesting this mechanism as a possible method for tuning substituents in polycyclic aromatic hydrocarbon (PAH) formation and highlighting its versatility as a probe of fundamental carbon chemistry via counterintuitive cycloaddition reactions under single-collision conditions.

Goettl, Shane J. [University of Hawaii at Manoa, H↗
DOE OSTI2026

Mechanistic insights into CO 2 capture and electrochemical conversion in nonaqueous Na–CO 2 batteries

Developing efficient energy storage systems that capture and convert CO 2 is critical for mitigating carbon emissions. Here, we report a Na–CO 2 battery with ruthenium dioxide (RuO 2 ) cathode catalysts and propane-1,3-diamine (PDA) as an electrolyte additive to enhance CO 2 capture and conversion efficiency. The integration of CO 2 adsorption and electrochemical reduction facilitates activation of the inert CO 2 molecule and circumvents gas–solid–liquid ternary-phase reactions at the interface. We employed density functional theory (DFT) calculations to systematically unravel the reaction mechanisms and energetics governing CO 2 reduction, both with and without PDA. Our results reveal an energetically favorable pathway toward the formation of Na 2 CO 3 and C as final discharge products, rather than sodium oxalate (Na 2 C 2 O 4 ). The CO 2 –amine adduct facilitates charge transfer from PDA to CO 2 , which results in activation of CO 2 . The kinetics of CO 2 conversion and regeneration of PDA were found to be significantly enhanced on the RuO 2 surface compared to the bulk electrolyte. More importantly, pre-activation of CO 2 via the amine–CO 2 adduct lowers the total overpotential to 2.44 V, compared to 3.13 V without PDA. This study provides fundamental insights into CO 2 electroreduction in Na–CO 2 batteries and underscores the promise of electrolyte engineering for sustainable CO 2 utilization and high-performance energy storage.

25 ENERGY STORAGE↗
DOE OSTI2026

Low-energy ion beam sputtering of polycrystalline diamond

Ion beam milling is a highly versatile and precise technique for the microfabrication of diamond films, enabling controlled material removal at both micrometer and sub-micrometer scales while accommodating complex geometries and surface features. Comprehensive sputtering yield data are essential for process optimization. In this work, we systematically measure the sputter yield of polycrystalline diamond bombarded with $\textrm{N}_2^+$, Ne + , Ar + , Kr + , and Xe + ions over an energy range of 300–900 eV and beam incidence angles of 0°−80°, providing data critical for precision machining applications. Results show that the sputter yield increases with both ion energy and the incidence angle and decreases with increasing ion mass. For $\textrm{N}_2^+$ ions, the sputter yield is largely insensitive to ion energy and exceeds values expected for pure physical sputtering. The concurrent formation of volatile C 2 N 2 molecules during $\textrm{N}_2^+$ ion bombardment suggests that the process is dominated by chemical sputtering. The absence of a peak in the dependence of the sputter yield on the beam incidence angle expected at oblique incidence angles is attributed to the effects of surface roughness.

Materials science↗
DOE OSTI2026

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. II. Isomer-resolved unimolecular dynamics

Transient carbon-centered hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation are characterized by their time- and energy-resolved unimolecular dissociation dynamics to hydroxyl (OH) and cyclic ether products. Two distinct •QOOH isomers are examined with radical sites at a primary carbon of one of the methyl groups (β-Me) or a secondary carbon (β-Et) of the ethyl group. Energy-dependent unimolecular rates are obtained from the time-dependent appearance of OH products for the two isomers and compared with statistical microcanonical rates computed using RRKM theory, including heavy-atom tunneling, based on high-level theoretical calculations. A benchmark-corrected approach is utilized to compute high-accuracy stationary-point energies, most importantly, transition-state barriers, for the •QOOH_Me and •QOOH_Et isomers in isopentane oxidation, building on higher-level reference calculations for the oxidation of ethane (C 2 H 5 O 2 ) and propane (C 3 H 7 O 2 ), respectively. Here, the measured rates are compared with RRKM calculations incorporating the benchmark-corrected transition-state parameters, a vibrationally adiabatic multidimensional hindered-rotor treatment of key torsions, and quantum tunneling. Agreement between experiment and theory validates the statistical description and shows faster decay for •QOOH_Et due to its lower barrier. Both β-QOOH isomers decay almost exclusively to OH + cyclic ether products under the conditions studied.

Oxidation processes↗
DOE OSTI2026

First nuclear ultraheavy dark matter search in argon time projection chambers with the DarkSide-50 experiment

We report on the first search for nuclear ultraheavy dark matter (UHDM) in a dual-phase liquid argon time projection chamber using the DarkSide-50 experiment. Unlike conventional weakly interacting massive particles, a nuclear UHDM model may be composed of many dark nucleons and scatter numerous times while passing through the detector. Accounting for energy loss through the Earth’s overburden, we apply selection criteria optimized for multiscatter event topologies using the 532-day low-radiation campaign of the DarkSide-50 detector. Excluded limits on the UHDM-nucleon scattering cross section for dark nucleon masses of m χ = 10 , 50 , 100 , 500 GeV / c 2 are presented.

Agnes, P. [GSSI, Aquila; Gran Sasso]↗
DOE OSTI2026

Sensitivity to low-mass WIMPs with an improved liquid argon ionization response model within the DarkSide program

Dark matter detection experiments using liquid argon rely on a precise characterization of the ionization response to nuclear recoils, especially in the keV energy range relevant for light dark matter interactions. In this work, we present a comprehensive analysis that combines new measurements from the ReD setup, part of the DarkSide experimental program, with calibration data from DarkSide-50, as well as results from the ARIS and SCENE experiments. These combined datasets enable improved constraints on atomic screening effects in the modeling of the ionization response of liquid argon to nuclear recoils. The analysis is performed within the Thomas-Imel recombination framework adopted in previous DarkSide studies, and is here further constrained by the inclusion of ReD data, which allow the screening function to be determined from calibration measurements. By including the updated ionization model into the DarkSide-50 analysis framework, we obtain stronger exclusion limits on low-mass weakly interacting massive particle (WIMP) interactions, setting new world-leading constraints in the 1 – 3 GeV / c 2 WIMP mass range. Finally, we recast the sensitivity projections for the upcoming DarkSide-20k detector, demonstrating a significantly enhanced discovery potential for low-mass dark matter candidates.

Acerbi, F. [Fond. Bruno Kessler, Trento]↗
DOE OSTI2026

Altered morphology and diffusivity of water confined in MXenes: Machine learning–accelerated computations combined with experiments

Nanoconfined water exhibits unique properties compared to bulk water due to limited quantities, frustrated hydrogen bonding, and surface interactions, which are fundamental for energy storage and transport applications. We integrate machine learning–accelerated ab initio molecular dynamics with x-ray diffraction (XRD) and inelastic neutron scattering (INS) to systematically analyze the thermodynamic and dynamic behavior of water confined between functionalized (-F, -O, and -OH) two-dimensional (2D) Ti 3 C 2 T x MXene layers. As water intercalates between layers, the interlayer spacing exhibits layer-dependent staging characteristics. The water polarization can be flipped by the count and morphology of intercalated molecules interacting with MXene surface groups, resulting in varying electrostatic potential profiles. On the basis of interfacial electrostatic potential, hydrogen bond lifetime, and molecular orientation, we establish a linear combination of exponential model describing water diffusivity. These computational insights align well with experimental x-ray and neutron measurements, suggesting strategies for tuning water morphology and transport by tailoring MXene surface chemistry and water content for electrochemical energy storage and nanofluidic applications.

Tang, Jiawei [Southeast Univ., Nanjing (China)] (O↗
DOE OSTI2025

Develop a Simulation Framework for Understanding Physico-Chemical Processes and Optimization of CHZ' Plastic Thermolyze Technology (CRADA Final Report)

Thermolyzer(TM) technology is a third-generation, multi-reactor, oxygen-free, low pressure, slow pyrolysis process. It has proven to be remarkably versatile in successfully processing all types of hydrocarbon waste. These include all seven types of plastics, tires, auto shredder residue, carpet, electronic waste, and composites. Working with the IACMI, Thermolyzer(TM) technology has recovered the glass and carbon fibers from wind turbine blades for reuse into new applications. Its primary output is a synthesis gas that is rich in H 2 , CH 4 , and small amounts of C 2-4 aliphatic hydrocarbons. Other components are CO and CO 2 . Three unique features set Thermolyzer(TM) apart from other pyrolysis systems: the syngas is clean enough to run in Siemens or Solar gas turbines or IC engines without fouling, clean, salable, byproducts are produced, and CO 2 emissions are lower than natural gas power plants. Research results have been obtained from an operating 7 ton/day facility. A 44 ton/day plant has successfully operated as noted above. The process works because it makes use of the recoverable embodied energy in the feedstock. Surprisingly, a pound of some plastics has the same recoverable energy content as a pound of gasoline. Thus, it is imperative to develop a process that economically converts scrap plastics (including ocean plastics) into energy and thereby conserve the non-renewable fossil fuels for future generations. The Thermolyzer(TM) technology can also be used to create liquid fuels like gasoline and diesel from hydrocarbon wastes. Because of the high hydrogen content of the synthesis gas, hydrogen can be recovered more inexpensively than the current solar or wind energy being used to electrolyze water. That hydrogen can be used for fuel cell powered vehicles or converted into ammonia for agriculture or as a hydrogen storage medium. Extension of this technology to other wastes such as tires, auto shredder residue or wood wastes would expand the circular economy.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Bridging Scales in Black Hole Accretion and Feedback: Relativistic Jet Linking the Horizon to the Host Galaxy

Simulating black hole (BH) accretion and feedback from the BH horizon to galactic scales is extremely challenging, as it involves a vast range of scales. Recently, our multizone method has successfully achieved global dynamical steady states of hot accretion flows in 3D general relativistic magnetohydrodynamic simulations by tracking the bidirectional interaction between a nonspinning BH and its host galaxy. In this paper, we present technical improvements to the method and apply it to spin a * = 0.9 BHs, which power relativistic jets. We first test the new multizone setup with a smaller Bondi radius, R B ≈ 400 r g , where r g is the gravitational radius. The strongly magnetized accretion launches a relativistic jet with an intermediate feedback efficiency η ∼ 30%, in between that of a prograde (η ∼ 100%) and retrograde (η ∼ 10%) torus. Interestingly, both prograde and retrograde simulations also eventually converge to the same intermediate efficiency when evolved long enough, as accumulated magnetic fields remove gas rotation. We then extend strongly magnetized simulations to larger Bondi radii, R B ≈ 2 × 10 3 , 2 × 10 4 , 2 × 10 5 r g . We find that the BH accretion rate $\dot{M}$ is suppressed with respect to the Bondi rate as $\dot{M}_{\textrm{B}}$ as $\dot{M}/\dot{M}_{\textrm{B}} ∝ R_{\textrm{B}}^{-1/2}$. However, despite some variability, the time-averaged feedback efficiency remains at η ∼ 30%, independent of R B . This suggests that BH feedback efficiency in hot accretion flows is mainly governed by the BH spin (a * ) rather than by the galactic properties (R B ). From these first-principles simulations, we provide a feedback subgrid prescription for cosmological simulations: $\dot{E}_{\textrm{fb}} = 2$ x $10^{-3}[R_{\textrm{B}}/(2$ x $10^5 r_g)]^{-1/2}$ $\dot{M}_{\textrm{B}}c^2$ for BH spin a * = 0.9.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRSDate not supplied

First N 2 Profile for Venus’ Deep Lower Atmosphere

We present the first N 2 profile for Venus’ deep lower atmosphere (<15 km) and a constrained isotopic composition for cloud N 2 [1]. This work directly addresses unresolved questions for Venus using legacy observations. Prior to this work, there were no reported measurements for N 2 abundances at <15 km and the isotopic composition remained unconstrained [2]. The N 2 parameters are critical to understanding the evolution and thermal properties of the atmosphere [3-7]. Our N 2 results were obtained by re-analysis of data acquired in 1978 by the Pioneer Venus Large Probe Neutral Mass Spectrometer (LNMS) [8]. The archived mass spectra from 64.2 to 0.2 km were treated using the analytical procedures specifically developed for the LNMS [9-11]. Judicious peak fitting permitted disambiguation of (A) N 2 + and CO + at 28 u and (B) 14 N 15 N+, 13 CO + , and C 2 H 5 + at 29 u. Quality controls included comparing the (A) LNMS CO + /CO 2 + ratios to the NIST database and literature and (B) fitted counts for CO + to the expected counts of CO + calculated from C 18 O + and 13 CO + using the LNMS 16 O/ 18 O and 12 C/ 13 C ratios (obtained from CO 2 ). Our results show that N 2 is uniformly mixed across the deep lower atmosphere between ~0.2 and 15 km (2.49 ± 0.10 v%). In contrast, N 2 is non-uniformly mixed across the sub-cloud atmosphere and clouds (~15–59 km), where N 2 abundances increase by ~ 2-fold between ~15 km (2.45 ± 0.32 v%) and ~59-51 km (5.21 ± 0.18 v%). Using the cloud data, we also obtained a constrained 15 N/ 14 N ratio (2.93×10 -3 ± 0.13×10 -3 ) and δ 15 N value (-204 ± 35‰). Thus, the LNMS results [1] suggest that (A) the atmosphere is unstable at <15 km, (B) N 2 is not well-mixed >15 km, and (C) the cloud δ 15 N falls between Earth and the solar wind [12, 13]. Comparisons of the N 2 abundances and isotopic compositions for nitrogen, carbon, and oxygen to other Venus measurements will be discussed.

deep lower atmosphere↗