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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

The Origin of the Compositional Diversity of Mercury's Surface Constrained From Experimental Melting of Enstatite Chondrites

Mercury is known as an endmember planet as it is the most reduced terrestrial planet with the highest core/mantle ratio. MESSENGER spacecraft has shown that its surface is FeO-poor (2-4 wt%) and Srich (up to 6-7 wt%), which confirms the reducing nature of its silicate mantle. Moreover, high resolution images revealed large volcanic plains and abundant pyroclastic deposits, suggesting important melting stages of the Mercurian mantle. This interpretation was confirmed by the high crustal thickness (up to 100 km) derived from Mercury's gravity field. This is also corroborated by a recent experimental result that showed that Mercurian partial melts are expected to be highly buoyant within the Mercurian mantle and could have risen from depths as high as the core-mantle boundary. In addition MESSENGER spacecraft provided relatively precise data on major elemental compositions of Mercury's surface. These results revealed important chemical and mineralogical heterogeneities that suggested several stages of differentiation and re-melting processes. However, the extent and nature of compositional variations produced by partial melting remains poorly constrained for the particular compositions of Mercury (very reducing conditions, low FeO-contents and high sulfur-contents). Therefore, in this study, we investigated the processes that lead to the various compositions of Mercury's surface. Melting experiments with bulk Mercury-analogue compositions were performed and compared to the compositions measured by MESSENGER.

Boujibar, A.↗
NASA NTRS2015

Distinct Igneous APXS Rock Compositions on Mars from Pathfinder, MER and MSL

The alpha particle x-ray spectrometer (APXS) on all four Mars Rovers returned geochemical data from about 1000 rocks and soils along the combined traverses of over 50 kilometers. Here we discuss rocks likely of igneous origin, which might represent source materials for the soils and sediments identified along the traverses. Adirondack-type basalts, abundant in the plains of Gusev Crater, are primitive, olivine bearing basalts. They resemble in composition the basaltic soils encountered at all landing sites, except the ubiquitous elevated S, Cl and Zn in soils. They have been postulated to represent closely the average Martian crust composition. The recently identified new Martian meteorite Black Beauty has similar overall geochemical composition, very distinct from the earlier established SNC meteorites. The rim of the Noachian crater Endeavour, predating the sulfate-bearing Burns formation at Meridiani Planum, also resembles closely the composition of Adirondack basalts. At Gale Crater, the MSL Curiosity rover identified a felsic rock type exemplified by the mugearitic float rock JakeM, which is widespread along the traverse at Gale. While a surprise at that time, possibly related more evolved, alkaline rocks had been previously identified on Mars. Spirit encountered the Wishstone rocks in the Columbia Hills with approx. 6% Na2O+K2O, 15 % Al2O3 and low 12% FeO. Pathfinder rocks with elevated K and Na and >50% SiO2 were postulated to be andesitic. Recently Opportunity encountered the rock JeanBaptisteCharbonneau with >15% Al2O3, >50% SiO2 and approx. 10% FeO. A common characteristic all these rocks is the very low abundance of Cr, Ni and Zn, and an Fe/Mn ratio of about 50, indicating an unaltered Fe mineralogy. Beside these likely igneous rock types, which occurred always in several rocks, a few unique rocks were encountered, e.g. Bounce Rock, a pyroxene-bearing ejecta rock fragment resembling the Shergottite EETA 79001B meteorite. The APXS data can be used to relate the findings of all 4 landing sites, constrain the water to rock ratio of sediments or imply source rock provenance. Beyond that the capability to quantify important volatile elements like P, S, Cl, and Br have provided new insights into the chemistry and the environment present during the formation of the sediments.

Gellert, Ralf↗
NASA NTRS2016

AR-40 AR-39 Age of an Impact-Melt Lithology in DHOFAR 961

The South Pole-Aitken (SPA) basin is the stratigraphically oldest identifiable lunar basin and is therefore one of the most important targets for absolute age-dating to help understand whether ancient lunar bombardment history smoothly declined or was punctuated by a cataclysm. The SPA basin also has another convenient property, a geochemically distinct interior, unobscured by extensive mare basalt fill. A case has been made for the possible origin of the Dhofar 961 lunar meteorite in the South Pole-Aitken (SPA) basin, based on comparing its composition with Lunar Prospector gamma-ray data for the interior of the SPA basin. Dhofar 961 contains several different impact-melt (IM) lithologies. Jolliff et al. described two classes of mafic impact-melt lithologies, one dominated by olivine (Lithology A) and the other by plagioclase (An 95-96.5) (Lithology B). Broad-beam analyses of these lithologies yielded (is) approximately 14.0 wt% FeO, 11.7 wt% MgO, and 15.4 wt% Al2O3. Lithologies A and B differ by approximately 2.5% Al2O3, 1.5% FeO and 1.5% MgO, consistent with the occurrence of olivine phenocrysts in A and plagioclase clasts in B. Both lithologies are considerably more mafic than the Apollo mafic impact-melt breccias, corresponding to olivine gabbronorite. Joy et al. used U-Pb dating to investigate phosphate fragments in the Dhofar 961 matrix and impact-melt clasts. Matrix phosphates have 4.34 to 4 Ga ages, consistent with ancient KREEP-driven magmatic episodes and Pre-Nectarian ((is) greater than 3.92 Ga). Phosphates found within Dhofar 961 crystalline impact melt breccia clasts range from 4.26 to 3.89 Ga, potentially recording events throughout the basin forming epoch of lunar history. The youngest reset ages in the Dhofar 961 sample represent an upper limit for the time of formation of the meteorite. Joy et al suggested this age represents the final impact that mixed and consolidated several generations of precursor rocks into the Dhofar meteorite group, although they note that further age dating of all the stones is required to test this hypothesis. We received a split of Dhofar 961 from R. Zeigler consisting of a large clast of IM Lithology B, with some light-colored, friable matrix clinging to the external margins of the impact-melt clast. This lithology was not present in the samples investigated by Joy et al. and thus does not have corresponding U-Pb ages on it. We created multiple subsplits of both the IM and matrix lithologies, each weighing several tens of micrograms. We conducted Ar-40 Ar-39 dating of this candidate SPA material by high-resolution step heating and comparing it with the regolith that surrounds it.

Lithology↗
NASA NTRS2017

Assessing the Behavior of Typically Lithophile Elements Under Highly Reducing Conditions Relevant to the Planet Mercury

With the data returned from the MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) mission, there are now numerous constraints on the physical and chemical properties of Mercury, including its surface composition (e.g., Evans et al. 2012; Nittler et al. 201 l; Peplowski et al. 2012; Weider et al. 2012). The high Sand low FeO contents observed from MESSENGER on the planet's surface suggests a low oxygen fugacity of the present planetary materials. Estimates of the oxygen fugacity for Mercurian magmas are approximately 3- 7 log units below the Iron-Wiistite (Fe-FeO) oxygen buffer (McCubbin et al. 2012; Zolotov et al. 2013), several orders of magnitude more reducing than other terrestrial bodies we have data from such as the Earth, Moon, or Mars (Herd 2008; Sharp, McCubbin, and Shearer 2013; Wadhwa 2008). Most of our understanding of elemental partitioning behavior comes from observations made on terrestrial rocks, but Mercury's oxygen fugacity is far outside the conditions of those samples. With limited oxygen available, lithophile elements may instead exhibit chalcophile, halophile, or siderophile behaviors. Furthermore, very few natural samples of rocks that formed under reducing conditions are available in our collections (e.g., enstatite chondrites, achondrites, aubrites). The goal of this study is to conduct experiments at high pressure and temperature conditions to determine the elemental partitioning behavior of typically lithophile elements as a function of decreasing oxygen fugacity.

Rowland, Rick, II↗
NASA NTRS2018

Mineralogical Study of a White Clast from Murchison (CM2): Comparison with R-Chondrites

R-chondrites share some properties with ordinary chondrites (OC) and carbonaceous chondrites (CC). The proportions of the textural types of chondrule from R chondrites and their FeO/(FeO+MgO) ratios are similar to those of OC, but the high matrix abundance in R chondrites more closely resembles that of CC (matrix abundances: OC ~12 vol% vs. CC 34->60 vol%;). In this study, we characteristize the mineralogy of a white clast from Murchison (CM2), which was earlier considered to be a R-chondrite. First, all the petrographic and mineralogical characteristics will be described and compared with those of R-chondrites. Finally, all data will be considered in order to test, whether this clast is a real R-chondrite or a unique recrystallized chondrite?

Kerraouch, I.↗
NASA NTRS2017

Formation Mechanism of Iron-Rich Olivine: Experimental Constrains into Early Fluid-Assisted Hydration and Dehydration Processes on Asteroids

Iron-rich olivine is one of the major minerals in the matrices of unequilibrated ordinary (UOCs) and carbonaceous (CV, CK, CO) chondrites whose petrologic type is >3.1. There has been an extensive discussion in the literature as to the formation mechanism of these olivines; however, their origin is poorly understood. The formation of ferroan olivine during hydrothermal alteration has been demonstrated to be thermodynamically viable. The stability of ferroan olivine is highly dependent on several variables, including temperature, water/ rock (W/R) ratio, pressure, oxygen fugacity, and bulk rock composition. So far, hydrothermal alteration experiments have not been successful at forming FeO-rich olivines with the compositions and textures observed in the matrices of chondrites. Therefore, understanding the formation conditions of FeO-rich olivines remains a key problem to explain the effects of hydrothermal alteration on chondrite matrices.

Iron-rich olivine↗
NASA NTRS2020

Constraints on the Abundances of Carbon and Silicon in Mercury's Core From Experiments in the Fe‐Si‐C System

The composition of a planet’s core has important implications for the thermal and magmatic evolution of that planet. Here, we conducted carbon (C)solubility experiments on iron-silicon (Fe-Si)metal mixtures (up to 35 wt%(~52 atom%)Si) at 1 GPa and 800–1800°C to determine the carbon concentration at graphite saturation (CCGS) in metallic melt and crystalline metal with varying proportions of Fe and Si to constrain the C content of Mercury’s core. Our results, combined with those in the literature, show that composition is the major controlling factor for carbon solubility in Fe-rich metal with minimal effects from temperature and pressure. Moreover, there is a strong anti-correlation between the abundances of carbon and silicon in iron-rich metallic systems. Based on the previous estimates of <1–25 wt% Si in Mercury’s core, our results indicate that a carbon-saturated mercurian core has 0.5–6.4wt% C, with 6.4wt% C corresponding to an Si-free, Fe core and 0.5wt% C corresponding to an Fe-rich core with 25 wt% Si. The upper end of estimated FeO abundances in the mantle(up to 2.2 wt%)are consistent with a core that has <1 wt% Siand up to 6.4 wt% C, which would imply that bulk Mercury has a superchondritic Fe/Si ratio. However,the lower end of estimated FeO (≤ 0.05 wt%) support CB-chondrite like bulk compositions of Mercury with core Si abundances in the range of 5–18.5 wt% 33 and C abundances in the range of 0.8–4.0 wt%.

Kathleen E. Vander Kaaden↗
NASA NTRSDate not supplied

Understanding Olivine and Pyroxene in Chondritic IDPs

There is a widespread depletion of Cr from the FeO-rich olivine in Wild-2, relative to type IIA chondrules(Frank et al., 2014)-the degree of this depletion is akin to that in unequilibrated chondrites such as Krymka (LL3.2) or Rainbow (CO3.2).Since Cr is highly mobile under even mild thermal metamorphism(as low as 200ºC), it is a sensitive indicator of such an event, showing greater depletion in smaller grains (i.e., matrix vs. chondrules) (Grossman and Brearley, 2005). Grossman and Brearley (2005) found that the distribution of Cr in FeO-rich olivine systematically changes as metamorphism increases between type 3.0 and type 3.2. Thus, Wild-2 olivine appears to carry evidence of mild thermal metamorphism. It is critical to determine whether there is any evidence for this from samples of other comets. For this we can examine an hydrous chondritic IDPs. Unfortunately, the data for olivine and pyroxene in IDPs is sparse, mainly decades old and lacks useful information on minor elements. We have begun to collect new compositional data for olivine and pyroxene in chondritic interplanetary dust particles (filling a major gap in our knowledge, as approximately half of these grains derive from comets), to determine whether the results obtained for Wild-2 are typical for comets in general, or whether Wild-2 (or its accretion components) has experienced an atypical geological history. A determination that a comet, or its accretion components, had experienced significant thermal metamorphism would greatly alter models of early solar system history.

Michael Zolensky↗
NASA NTRS2024

Tarda and Tagish Lake: Samples From The Same Outer Solar System Asteroid and Implications for D- and P-Type Asteroids

We report a comprehensive study of the ungrouped type 2 carbonaceous chondrite, Tarda, which fell in Morocco in 2020. This meteorite exhibits substantial similarities to Tagish Lake, Wisconsin Range 91600, and Meteorite Hills 00432, which are generally considered to have originated from a D-type asteroid(s). We constrain the compositions and petrologies of the materials present in a potential sample of a D-type asteroid by reporting the petrography, bulk chemical compositions, bulk H, C, N, Cr, and Ti isotopic compositions, reflectance spectra, and in situ chemical compositions of metals, sulfides, carbonates, and FeO-poor and FeO-rich chondrule silicates of Tarda. We also present new data for Tagish Lake. We then compare Tarda with the other Tagish Lake-like meteorites. Tarda and Tagish Lake appear to be from the same parent body, as demonstrated by their similar petrologies (modal abundances, chondrule sizes), mineral compositions, bulk chemical and isotopic compositions, and reflectance spectra. While the two other Tagish Lake-like meteorites, Wisconsin Range 91600 and Meteorite Hills 00432, show some affinities to Tagish Lake and Tarda, they also share similar characteristics to the Mighei-like carbonaceous (CM) chondrites, warranting further study. Similarities in reflectance spectra suggest that P-type asteroids 65 Cybele and 76 Freia are potential parent bodies of Tarda and the Tagish Lake-like meteorites, or at least have similar surface materials. Since upcoming spacecraft missions will spectrally survey D-type, P-type, and C-type Trojan asteroids (NASA's Lucy) and spectrally study and return samples from Mars' moon Phobos (JAXA's Martian Moons eXploration mission), which is spectrally similar to D-type asteroids, these meteorites are of substantial scientific interest. Furthermore, since Tarda closely spectrally matches P-type asteroids (but compositionally matches the D-type asteroid like Tagish Lake meteorite), P-type and D-type asteroids may represent fragments of the same or similar parent bodies.

Tarda↗
NASA NTRS2025

Diverse and Highly Differentiated Lava Suite in Jezero Crater, Mars: Constraints on Intracrustal Magmatism Revealed By Mars 2020 PIXL

The Jezero crater floor features a suite of related, iron-rich lavas that were examined and sampled by the Mars 2020 rover Perseverance , and whose textures, minerals, and compositions were characterized by the Planetary Instrument for X-ray Lithochemistry (PIXL). This suite, known as the Máaz formation (fm), includes dark-toned basaltic/trachy-basaltic rocks with intergrown pyroxene, plagioclase feldspar, and altered olivine and overlying trachy-andesitic lava with reversely zoned plagioclase phenocrysts in a K-rich groundmass. Feldspar thermal disequilibrium textures indicate that they were carried from their crustal staging area. Bulk and mafic minerals have very high FeO and low MgO to FeO total ratios, which are partially reproduced by thermodynamic models involving high-degree fractional crystallization of a gabbroic assemblage and possibly also assimilation of iron-rich basement. Together, these in situ constraints on petrogenesis provide a uniquely detailed record of intracrustal processes beneath Jezero crater during a time period not represented by Mars samples to date.

Jezero Crater floor↗
NASA NTRS2010

Evaluation of the Water Film Weber Number in Glaze Icing Scaling

Icing scaling tests were performed in the NASA Glenn Icing Research Tunnel to evaluate a new scaling method, developed and proposed by Feo for glaze icing, in which the scale liquid water content and velocity were found by matching reference and scale values of the nondimensional water-film thickness expression and the film Weber number. For comparison purpose, tests were also conducted using the constant We(sub L) method for velocity scaling. The reference tests used a full-span, fiberglass, 91.4-cm-chord NACA 0012 model with velocities of 76 and 100 knot and MVD sizes of 150 and 195 microns. Scale-to-reference model size ratio was 1:2.6. All tests were made at 0deg AOA. Results will be presented for stagnation point freezing fractions of 0.3 and 0.5.

Tsao, Jen-Ching↗
DOE OSTI2021

Exsolution Synthesis of Nanocomposite Perovskites with Tunable Electrical and Magnetic Properties

Nanostructured functional oxides play an important role in enabling clean energy technologies and novel memory and processor devices. Using thin-film La 0.6 Sr 0.4 FeO 3 (LSF) as a model system, the novel utility of exsolution in fabricating self-assembled metal oxide nanocomposites with tunable functionalities is shown. Exsolution triggers the formation of metallic iron (Fe 0 ) nanoparticles, Ruddlesden–Popper domains, and nm-scale percolated Fe-deficient channels in LSF. Combining multimodal characterization with numerical modeling, the chemical, magnetic, and electrical properties of the exsolution-synthesized nanocomposite at different stages of Fe 0 exsolution as well as during redox cycling are assessed. After exsolution, the electronic conductivity of the nanocomposite LSF increased by more than two orders of magnitude. Based on numerical analysis representing all the constituents, it is expected that this increase in conductivity originates mainly from the Fe-deficient percolating channels formed during exsolution. Moreover, the exsolved nanocomposite is redox-active even at moderate temperatures. Such redox capabilities can enable dynamic control of the nanocomposite functionality by tailoring the oxygen non-stoichiometry. This concept is demonstrated with a continuous modulation of magnetization between 0 and 110 emu cm -3 . These findings point out that exsolution may serve as a platform for scalable fabrication of complex metal oxide nanocomposites for electrochemical and electronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Engineering collinear magnetization in hexagonal LuFeO 3 and magnetoelectric control of skyrmions in hexagonal 2D epilayers

Cubic, perovskite-structure ABO 3- and A 1–x A’ x BO 3 -type oxides have been investigated extensively while their hexagonal structure versions have not, even though they are multiferroic and can form heterostructures with hexagonal 2D materials. In particular, multiferroic 2D epilayers may lead to strong magnetoelectric coupling. Hexagonal RFeO 3 ferrites, where R is a rare-earth element (Lu, Yb, etc.), are excellent candidates, but their ferromagnetism isweak. In this paper, we employ density-functional-theory (DFT) calculations and first show that heavy electron doping of hexagonal LuFeO 3 (h-LFO), namely Lu 1–x Hf x FeO 3 (h-LHFO), leads to spin-disproportionation of the Fe sublattices and, especially for x = 1/2 and 2/3, to robust, room-temperature, out-of-plane, collinear ferrimagnetism that is stabilized by a Jahn-Teller metal-to-insulator transition. We then show that h-LHFO/h-2D heterostructures, where h-2D is the FE/ FM monolayer MnSTe, stabilize skyrmions without an external magnetic field and control their chirality by an external electric field through the h-LHFO polarization, opening up a new realm for magnetoelectric applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Fast Oxygen Redox Kinetics Induced by CoO 6 Octahedron With π –Interaction in P2–Type Sodium Oxides

Enhancing the kinetics of lattice oxygen redox (LOR) in P2-type layered sodium oxide cathodes is crucial for the advancement of sodium-ion batteries (SIBs) with superior energy and power densities. Electronic structure regulation stands out as a highly effective approach to address the inherent limitations of P2-type layered oxides with LOR, including sluggish kinetics, phase transitions, voltage hysteresis, and local structural distortion. In this work, a strategy involving the introduction of CoO 6 octahedra with π-interaction into Na 0.6 Li 0.1 Fe 0.3–x Co x Mn 0.6 O 2 (x = 0, 0.15, 0.3) cathodes to facilitate Na-ion transport is proposed. Furthermore, the impact of FeO 6 octahedra with σ-interaction in P2-type cathodes on electrochemical performance is comprehensively investigated. Through multimodal in-situ and ex-situ characterization techniques, it is revealed that Co–O with π-interaction effectively mitigates P2-OP4 phase transitions by strengthening Na–O, reduces voltage hysteresis, and stabilizes the local structure. Consequently, Na 0.6 Li 0.1 Co 0.3 Mn 0.6 O 2 demonstrates enhanced Na-ion diffusion kinetics, leading to improved rate performance and a reversible capacity of 55 mAh g –1 at 10 C, significantly outperforming cathodes with Fe–O σ-interaction. Moreover, when coupled with hard carbon, the full cell achieves a remarkable energy density of 395 Wh kg –1 (on cathode) at 0.1 C, with a capacity retention of 75% over 100 cycles at 1 C.

25 ENERGY STORAGE↗
DOE OSTI2023

Resolving Diverse Oxygen Transport Pathways Across Sr‐Doped Lanthanum Ferrite and Metal‐Perovskite Heterostructures

Abstract Perovskite structured transition metal oxides are important technological materials for catalysis and solid oxide fuel cell applications. Their functionality often depends on oxygen diffusivity and mobility through complex oxide heterostructures, which can be significantly impacted by structural and chemical modifications, such as doping. Further, when utilized within electrochemical cells, interfacial reactions with other components (e.g., Ni‐ and Cr‐based alloy electrodes and interconnects) can influence the perovskite's reactivity and ion transport, leading to complex dependencies that are difficult to control in real‐world environments. Here, this work uses isotopic tracers and atom probe tomography to directly visualize oxygen diffusion and transport pathways across perovskite and metal‐perovskite heterostructures, that is, (Ni‐Cr coated) Sr‐doped lanthanum ferrite (La 0.5 Sr 0.5 FeO 3 ; LSFO). Annealing in 18 O 2(g) results in elemental and isotopic redistributions through oxygen exchange (OE) in the LSFO while Ni‐Cr undergoes oxidation via multiple mechanisms and transport pathways. Complementary density functional theory calculations at experimental conditions provide rationale for OE reaction mechanisms and reveal a complex interplay of different thermodynamic and kinetic drivers. These results shed light on the fundamental coupling of defects and oxygen transport in an important class of catalytic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Activation of Transition Metal (Fe, Co and Ni)-Oxide Nanoclusters by Nitrogen Defects in Carbon Nanotube for Selective CO 2 Reduction Reaction

The electrochemical carbon dioxide reduction reaction (CO2RR), which can produce value-added chemical feedstocks, is a proton-coupled-electron process with sluggish kinetics. Thus, highly efficient, cheap catalysts are urgently required. Transition metal oxides such as CoO x , FeO x , and NiO x are low-cost, low toxicity, and abundant materials for a wide range of electrochemical reactions, but are almost inert for CO 2 RR. Here, we report for the first time that nitrogen doped carbon nanotubes (N-CNT) have a surprising activation effect on the activity and selectivity of transition metal-oxide (MO x where M = Fe, Ni, and Co) nanoclusters for CO 2 RR. MO x supported on N-CNT, MOx/N-CNT, achieves a CO yield of 2.6–2.8 mmol cm -2 min -1 at an overpotential of -0.55V, which is two orders of magnitude higher than MO x supported on acid treated CNTs (MOx/O-CNT) and four times higher than pristine N-CNT. The faraday efficiency for electrochemical CO 2 -to-CO conversion is as high as 90.3% at overpotential of 0.44V. Both in-situ XAS measurements and DFT calculations disclose that MO x nanoclusters can be hydrated in CO 2 saturated KHCO 3 , and the N defects of N-CNT effectively stabilize these metal hydroxyl species under carbon dioxide reduction reaction conditions, which can split the water molecules and provide local protons to inhibit the poisoning of active sites under carbon dioxide reduction reaction conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A survey study on arsenic speciation in coal fly ash and insights into the role of coal combustion conditions

Coal fly ashes (CFAs) are the low-density byproducts of the coal combustion process. Improper or uncontrolled CFA disposal poses significant environmental and health concerns due to the potential leaching of toxic heavy metals such as arsenic (As). Previous studies have investigated the content and speciation of As in different CFA samples, yet systematic information on As speciation in CFA with representative coal source and combustion conditions is still missing. Based on a recent survey study on the typical coal sources and combustion conditions across the U.S., this study selected 19 representative CFA samples to systematically investigate As speciation and potential correlations with these parameters. The composition, morphology, mineralogy, and As speciation of these CFA samples were characterized by complementary analytical, microscopic, and spectroscopic techniques. Synchrotron X-ray spectroscopy and microscopy analyses revealed the dominant As oxidation state to be As(V) and with strong associations to Ca, with the exception of 3 samples that had 19–51% As(III), likely due to the use of selective catalytic reduction (SCR) process. Principal component analysis was conducted to identify potential correlations of As concentration and oxidation state with parameters such as major element content, loss on ignition (LOI), average particle size, coal source, and combustion condition. Al 2 O 3 and FeO content were found to capture a majority of the variability. Further, results from this study provide fundamental basis for understanding the correlations between coal source, combustion conditions, CFA characteristics, and As speciation, and providing insights for downstream beneficial utilization or disposal management.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Fe doped aluminoborate PKU-1 catalysts for the ketalization of glycerol to solketal: Unveiling the effects of iron composition and boron

An inexpensive Fe doped aluminoborate consisted of 18% Fe in PKU-1 material that exhibits high selectivity of 4-hydroxymethy-2,2-dimethyl-1,3-dioxolane (Solketal, 98.3%), considerable activity (TOF 51.7 h -1 ), and recyclable ability in the ketalization of glycerol to Solketal with acetone at 318 K has been developed. Here our study demonstrated that the structure of Fe (less agglomerated iron species vs. FeO x clusters) can be tuned by changing Fe loading in the PKU-1 material, which correlated well with experimental observations. Furthermore, the surface boron sites were promoted by iron loading and behaved as Lewis-acid sites to facilitate the reaction process of glycerol ketalization, while the Solketal selectivity was closely related with the structure of iron species in PKU-1, which was proved by kinetic studies, density function theory (DFT) calculations, and a series of spectroscopy studies. This investigation demonstrates that the surface B sites can play important roles in the reaction instead of being spectators.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗