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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Occurrence and ecological risk of pharmaceuticals in river surface water of Bangladesh

Highlights: • Twelve pharmaceuticals were investigated in river surface water. • Nine pharmaceuticals were detected at ng L{sup −1} level. • MNZ was dominant followed by TMP, ERY-H{sub 2}O and SMX. • Contamination of SMX, TMP and TYL was associated with fed aquaculture. • Preliminary ecological risk assessment showed the medium to low risks. Pharmaceutical contamination in the aquatic environment is a global issue that affects aquatic animals, micro-organisms and human health. The occurrence and preliminary ecological risk of 12 (11 antibiotics and 1 antiepileptic drug) pharmaceuticals were investigated for the first time in the surface water of the old Brahmaputra River, where open-water-fed aquaculture activities are being practiced in Bangladesh. The pharmaceuticals were quantified by high-performance liquid chromatography tandem mass spectrometry (HPLC-MS/MS), operated with positive electrospray ionization (ESI{sup +}) and a multiple reaction monitoring (MRM) mode. Nine pharmaceuticals were detected in the river surface water, whereas three were below the limit of detection (LOD). Metronidazole was detected in all the samples with concentrations ranging from 0.05 to 13.51 ng L{sup −1}. Trimethoprim had the second highest frequency of detection (95%) with the highest concentration (17.20 ng L{sup −1}). The ranges of concentration and detection frequency of sulfonamides and macrolides were < LOD-11.35 and < LOD-16.68 ng L{sup −1}; 35–70 and 60–85%, respectively, whereas carbamazepine was in the range of < LOD-8.80 ng L{sup −1} and had a detection frequency of 65%. The concentrations of sulfamethoxazole, trimethoprim, erythromycin-H{sub 2}O and tylosin were distinctly higher in the fed aquaculture areas. The principal component analysis confirmed that fed aquaculture activities contributed most of the pharmaceutical contamination in the river surface water. Hospitals, nursing homes, sewage wastewater or surface runoff from the surrounding areas might all contribute to the presence of metronidazole and carbamazepine. The preliminary ecological risk assessment revealed that sulfamethoxazole, erythromycin-H{sub 2}O and tylosin showed medium risk, and carbamazepine displayed low risk to sensitive aquatic organisms for maximum measured concentrations. Thus, this study suggests that pharmaceutical contamination in different rivers and seasons needs to be quantified, and ecological as well as human health risks need to be assessed in Bangladesh.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Frost Tables, NGEE Areas B, C and D, Utqiagvik (Barrow), Alaska, 2012-2014

This dataset represents spatially intensive thaw depth surveys with individual point measurements spaced ~0.5 m apart. The three ~10x10m grids cover an ice wedge and a portion of its two neighboring polygons. The data contain thaw depth, frost table elevation, ground surface elevation, active layer depth and surface water inundation across three seasons (2012, 2013 and 2014) at Utqiagvik (Barrow) NGEE Areas B, C and D. There are a total of 69 extracted files separated by month, year, and area. The data were originally provided in excel workbooks, these files have been preserved within the zip "Original_Files." The files were transformed for archiving with images pulled out into JPEGs, data preserved as CSV files and some methodological information preserved as TXT files. Some functions, features, and formatting were lost during the transformation. Missing data were defined with blank cells. Additional documentation can be found in files labelled with "information.txt" file endings.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).[2024-07-15] Renamed BEO_Thaw_Depth_Frost_Table_Area_*_*_*.csv, BEO_Thaw_Depth_Frost_Table_Area_*_*_*_Plot_1.JPEG, and BEO_Thaw_Depth_Frost_Table_Area_*_*_*_Plot_2.JPEG names that had E or L to be Early or Late. Renamed BEO_Thaw_Depth_Frost_Table_Area_*_*_*_Plot_1.JPEG, BEO_Thaw_Depth_Frost_Table_Area_*_*_*_Plot_2.JPEG, and BEO_Thaw_Depth_Frost_Table_Area_*_information_Plot_1.JPEG to BEO_Thaw_Depth_Frost_Table_Area_*_*_*_Gridpoints.JPEG, BEO_Thaw_Depth_Frost_Table_Area_*_*_*_3Dgraphic.JPEG, and BEO_Thaw_Depth_Frost_Table_Area_*_information_LiDAR_DEM.JPEG, respectively. Updated BEO_Thaw_Depth_Frost_Table_flmd.csv file to reflect above updates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

A construction of Ag-modified raspberry-like AgCl/Ag2WO4 with excellent visible-light photocatalytic property and stability

Highlights: • The Ag-modified raspberry-like AgCl/Ag{sub 2}WO{sub 4} photocatalysts were prepared by a facile solvent-free method. • Ag and AgCl were easily deposited on the Ag{sub 2}WO{sub 4} by one-step solid-sate reaction between Ag{sub 2}WO{sub 4} and HONH{sub 3}Cl. • The morphology of raspberry-like can facilitate the contact of dye molecules and composite photocatalysts. • The photocatalysts exhibit an effective separation of the photoinduced electron-hole pairs. • The photocatalysts show excellent photocatalytic activity and photo-stability under visible light irradiation. - Abstract: A novel multiphase photocatalyst of Ag-modified raspberry-like AgCl/Ag{sub 2}WO{sub 4} composite was successfully fabricated via a facile solvent-free reaction technique, in which the Ag and AgCl were subtlely generated from the one-step reaction between Ag{sub 2}WO{sub 4} particles and HONH{sub 3}Cl as reductant and chlorine source at room temperature. The as-obtained ternary Ag-modified raspberry-like AgCl/Ag{sub 2}WO{sub 4} composites can facilitate the contact of dye molecules and photocatalysts, exhibiting superior photocatalytic property and good recycling ability towards the decomposition of organic dye under the visible-light irradiation. The reductant addition amounts greatly affect the performance of Ag{sub 2}WO{sub 4} photocatalyst. The optimum composite ratio of Ag-modified AgCl/Ag{sub 2}WO{sub 4} samples show significant enhancement of visible-light photocatalytic activities and the degradation rate constant is about 16 times greater than that of pure Ag{sub 2}WO{sub 4}. The highly improved performance of Ag-modified raspberry-like AgCl/Ag{sub 2}WO{sub 4} structure can be ascribed to the surface plasma resonance (SPR) effects of metal Ag and the synergistic effect among composites, accordingly effectively promote the separation of photoinduced electron-hole pairs, widen the absorbance range in the visible light and increase surface area. The h{sup +} and ·OH degraded mechanism for the improved photocatalytic activity of Ag-modified AgCl/Ag{sub 2}WO{sub 4} is proposed based on radical-trapping experiments and ESR spectra records.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Removal of Ni(II), Zn(II) and Pb(II) ions from single metal aqueous solution using rice husk-based activated carbon

An attempt was made to investigate the potential of rice husk-based activated carbon as an alternative low-cost adsorbent for the removal of Ni(II), Zn(II) and Pb(II) ions from single aqueous solution. Rice husk-based activated carbon was prepared via treatment of rice husk with NaOH followed by the carbonization process at 400°C for 2 hours. Three samples, i.e. raw rice husk, rice husk treated with NaOH and rice husk-based activated carbon, were analyzed for their morphological characteristics using field-emission scanning electron microscope/energy dispersive X-ray (FESEM/EDX). These samples were also analyzed for their carbon, hydrogen, nitrogen, oxygen and silica contents using CHN elemental analyzer and FESEM/EDX. The porous properties of rice husk-based activated carbon were determined by Brunauer-Emmett-Teller (BET) surface area analyzer, and its surface area and pore volume were 255 m{sup 2}/g and 0.17 cm{sup 2}/g, respectively. The adsorption studies for the removal of Ni(II), Zn(II) and Pb(II) ions from single metal aqueous solution were carried out at a fixed initial concentration of metal ion (150 ppm) with variation amount of adsorbent (rice husk-based activated carbon) as a function of varied contact time at room temperature. The concentration of each metal ion was analyzed using atomic absorption spectrophotometer (AAS). The results obtained from adsorption studies indicate the potential of rice husk as an economically promising precursor for the preparation of activated carbon for removal of Ni(II), Zn(II) and Pb(II) ions from single aqueous solution. Isotherm and kinetic model analyses suggested that the experimental data of adsorption studies fitted well with Langmuir, Freundlich and second-order kinetic models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Mesoporous ZnO microcube derived from a metal-organic framework as photocatalyst for the degradation of organic dyes

A cube-like porous ZnO architecture was synthesized by direct two-step thermolysis of a zinc-based metal-organic framework [(CH{sub 3}){sub 2}NH{sub 2}][Zn(HCOO){sub 3}]. The obtained ZnO microcube was characterized by powder X-ray diffraction, scanning electron microscopy, transmission electron microscopy and nitrogen adsorption and desorption isotherms. The mesoporous ZnO microcube was comprised by many nanoparticles, and inherited the cube shape from [(CH{sub 3}){sub 2}NH{sub 2}][Zn(HCOO){sub 3}] precursor. With large surface area and mesoporous structure, the ZnO microcube exhibits excellent photocatalytic activities against methyl orange (MO) and rhodamine B (RhB) under UV irradiation, and the degradation rates reached 99.7% and 98.1% within 120 min, respectively. - Graphical abstract: Mesoporous ZnO microcube was synthesized via two-step thermolysis of metal-organic framework [(CH{sub 3}){sub 2}NH{sub 2}][Zn(HCOO){sub 3}], and exhibit excellent photocatalytic activity towards MO and RhB. Display Omitted - Highlights: • Cubic MOF [(CH{sub 3}){sub 2}NH{sub 2}][Zn(HCOO){sub 3}] was prepared by solution-precipitation method. • Mesoporous ZnO microcube was obtained by a two-step calcination of MOF precursor. • ZnO microcube shows photocatalytic activity to MO and RhB under UV irradiation. • The h{sup +} and ∙O{sub 2}{sup -} are main active species during the photodegradation process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Systematic Structure–Property Relationship Studies in Palladium-Catalyzed Methane Complete Combustion

To limit further rising levels in methane emissions from stationary and mobile sources and to enable promising technologies based on methane, the development of efficient combustion catalysts that completely oxidize CH 4 to CO 2 and H 2 O at low temperatures in the presence of high steam concentrations is required. Palladium is widely considered as one of the most promising materials for this reaction, and a better understanding of the factors affecting its activity and stability is crucial to design even more improved catalysts that efficiently utilize this precious metal. Here we report a study of the effect of three important variables (particle size, support, and reaction conditions including water) on the activity of supported Pd catalysts. We use uniform palladium nanocrystals as catalyst precursors to prepare a library of well-defined catalysts to systematically describe structure–property relationships with help from theory and in situ X-ray absorption spectroscopy. With this approach, we confirm that PdO is the most active phase and that small differences in reaction rates as a function of size are likely due to variations in the surface crystal structure. We further demonstrate that the support exerts a limited influence on the PdO activity, with inert (SiO 2 ), acidic (Al 2 O 3 ), and redox-active (Ce 0.8 Zr 0.2 O 2 ) supports providing similar rates, while basic (MgO) supports show remarkably lower activity. Finally, we show that the introduction of steam leads to a considerable decrease in rates that is due to coverage effects, rather than structural and/or phase changes. Altogether, the data suggest that to further increase the activity and stability of Pd-based catalysts for methane combustion, increasing the surface area of supported PdO phases while avoiding strong adsorption of water on the catalytic surfaces is required. Furthermore, this study clarifies contrasting reports in the literature about the active phase and stability of Pd-based materials for methane combustion.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Tropospheric ozone - Seasonal behavior, trends, and anthropogenic influence

In the present analysis of tropospheric ozone data, attention is given to spatial and temporal variations. Two modes of seasonal behavior are noted for surface ozone at mid-latitudes: a broad summer maximum within a few hundred km of industrial/urban areas in Europe and the U.S., and a minimum in summer or autumn in sparcely populated regions that are remote from industrial activity. These and limited historical data indicate that summertime concentrations of ozone near the surface in the rural areas of Europe and the U.S. may have increased between 20 and 100 percent since the 1940s. It is suggested that the summer maximum in ozone and other observed trends are due to photochemical production associated with anthropogenic emissions of NO(x), hydrocarbons, and CO from fossil fuel combustion.

Logan, J. A.↗
DOE OSTI2019

In situ Preparation of HNbMoO{sub 6}/C Nanocomposite for Sensitive Detection of Clenbuterol

In this paper, we synthesized HNbMoO{sub 6}/C composite through the calcination of octylamine-intercalated HNbMoO{sub 6} precursor. The resulting HNbMoO{sub 6}/C composite showed some new phases of MoO{sub 2}, MoO{sub 3}, NbO{sub 2}, Nb{sub 2}O{sub 5}, and carbon, which was fully confirmed via powder X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected area electron diffraction (SAED), and X-ray photoelectron spectroscopy (XPS) technologies. Besides, the HNbMoO{sub 6}/C hybrid was coated on glass carbon electrode to construct an electrochemical sensor for sensitive determination of clenbuterol. The electrochemical behaviors of clenbuterol on the prepared electrode were tested by cyclic voltammetry (CV) and differential pulse voltammetry (DPV) analysis. The results showed that the intercalated carbon can act as active sites to accelerate electron transfer. In addition, more exposed surface areas of the HNbMoO{sub 6}/C composite will facilitate the electrolyte to permeate. The oxidation peak current of clenbuterol was linearly related to its concentration in the range of 1.04 × 10{sup −5} to 7.51 × 10{sup −4} mol L{sup −1}, and the determination limit was calculated to be 3.03 × 10{sup −6} mol L{sup −1} (S/N = 3). This sensor exhibits excellent stability, reproducibility, specificity, and good recoveries when applied to monitor clenbuterol in real samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Control of Reactivity in Nanoporous Metal/Ionic Liquid Composite Catalysts

In this program, we explored a new concept in nanostructured heterogeneous catalysis design – the nanoporous metal/ionic liquid (IL) composite. Over the course of this entire program from inception, we produced sixteen publications [DOE1-DOE16]. The idea behind this concept was to tailor the chemical environment within and near the pores of a nanoporous high surface area metal electrocatalyst in order to enhance the aggregate composite activity and selectivity. Most electrocatalyst design focuses upon lowering the activation barrier for a particular synthesis reaction. While we also try to minimize this quantity, one should also recognize that significant catalytic enhancements can be made by biasing the reaction to completion via control of the environment in which the reaction occurs. Specific ideas we explored in this program included (a) chemically biasing mass transport of reactants to the catalyst surface and products away from it, and (b) corralling of reactants and products to spatially separate them and reduce side reactions. We made a particular focus on electrocatalysis under kinetically limited conditions, and in which the catalyst is a nanoporous metal and the biasing environment is an ionic liquid impregnating the pores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2023

Identification of Sea Surface Temperature and Sea Surface Salinity Fronts along the California Coast: Application Using Saildrone and Satellite Derived Products

Coastal upwelling regions are one of the most dynamic areas of the world’s oceans. The California and Baja California Coasts are impacted by both coastal upwelling and the California Current, leading to frontal activity that is captured by gradients in both Sea Surface Temperature (SST) and Sea Surface Salinity (SSS). Satellite data are a great source of spatial data to study fronts. However, biases near coastal areas and coarse resolutions can impair its usefulness in upwelling areas. In this work gradients in SST from NASA Multi-Scale Ultra-High Resolution (MUR) and in two SSS products derived from the Soil Moisture Active Passive (SMAP) NASA mission are compared directly with gradients derived from the Saildrone uncrewed vehicles to validate the gradients as well as to assess their ability to detect known frontal features. The three remotely sensed data sets (MURSST/JPL, SMAP SSS/RSS, SMAP SSS) were co-located with the Saildrone data prior to the calculation of the gradients. Wavelet analysis is used to determine how well the satellite derived SST and SSS products are reproducing the Saildrone derived gradients. Overall results indicate the remote sensing products are reproducing features of known areas of coastal upwelling. Differences between the SST and SSS gradients are mainly associated with the limitations of the microwave derived SSS coverage near land and its reduced spatial resolution. The results are promising for using remote sensing data sets to monitor frontal structure along the California Coast and the application to long term changes in coastal upwelling and dynamics.

Sea Surface Salinity↗
NASA NTRS1993

Lineament analysis and tectonic interpretation for the Tharsis region

The Tharsis region of Mars is critical to any study of Martian tectonics. This region (65 N and 65 S latitude; 45 W to 157.5 W longitude) is characterized by an asymmetrical dome-shaped topographic high approximately 8000 km across. Affecting over 25 percent of the surface area, this region has been the center of most of the major tectonic and volcanic activity that has taken place on the Martian surface. Lineament studies are the primary tool available for studying tectonic processes on terrestrial planets such as Mars. At least three major lineament systems can be delineated in the Tharsis region; north-south and east-west trending lineament systems are superimposed on an older northwest trending lineament system. Four centers of uplift have been identified based on the occurrence of radial fracture patterns. Preliminary results indicate that the formation of the Tharsis Dome may not have resulted from a single uplift event, but may instead have resulted from as many as four uplift events. The northwest trending fracture may represent a pre-existing zone of weakness which contributed to the early formation of the Tharsis Dome. The 1:2,000,000 scale photo mosaic maps of Mars were examined and lineaments were identified. The end points of each lineament were measured and recorded in an X-Y reference coordinate frame.

Anderson, Robert↗
DOE OSTI2015

Trace Levels of Copper in Carbon Materials Show Significant Electrochemical CO 2 Reduction Activity

Carbon materials are frequently used as supports for electrocatalysts because they are conductive and have high surface area. However, recent studies have shown that these materials can contain significant levels of metallic impurities that can dramatically alter their electrochemical properties. Here, the electrocatalytic activity of pure graphite (PG), graphene oxide (GO), and carbon nanotubes (CNT) dispersed on glassy carbon (GC) are investigated for the electrochemical CO 2 reduction reaction (CO 2 RR) in aqueous solution. It was observed that GO and CNT dispersed on GC all exhibit significant electrochemical activity that can be ascribed to impurities of Ni, Fe, Mn, and Cu. The level of Cu in GO can be particularly high and is the cause for the appearance of methane in the products produced over this material when it is used for the CO 2 RR. Washing these supports in ultrapure nitric acid is effective in removing the metal impurities and results in a reduction in the electrochemical activity of these forms of carbon. In particular, for GO, nearly all of the catalytically relevant metals can be removed. Electrochemical deposition of Cu on GO and PG supported on GC, and on GC itself, increased both the electrochemical activity of these materials and the production of methane via the CO 2 RR. Particularly high rates of methane formation per unit of Cu mass were obtained for Cu electrodeposited on GO and PG supported on GC. We suggest that this high activity may be due to the preferential deposition of Cu onto defects present in the graphene sheets comprising these materials.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Atomic layer deposition of ultrathin platinum films on tungsten atomic layer deposition adhesion layers: Application to high surface area substrates

Platinum (Pt) atomic layer deposition (ALD) usually yields Pt nanoparticles during initial film growth. In contrast, deposition of continuous and ultrathin Pt films is needed for many important applications, such as the oxygen reduction reaction in polymer electrolyte membrane (PEM) fuel cells. A continuous and high radius of curvature Pt film is more stable and has a higher area-specific activity than the Pt nanoparticles commonly used in PEM fuel cells. However, the Pt film must be ultrathin and have a large surface area to be cost effective. In this paper, a review of earlier Pt ALD studies on flat substrates is presented that demonstrates that tungsten, with a higher surface energy than platinum, can serve as an adhesion layer to achieve Pt ALD films that are continuous at ultrathin thicknesses of ∼1.5 nm. This work utilized MeCpPtMe{sub 3} and H{sub 2} plasma as the Pt ALD reactants. The deposition of continuous and ultrathin Pt ALD films using MeCpPtMe{sub 3} and H{sub 2} plasma as the reactants is then studied on two high surface area substrate materials: TiO{sub 2} nanoparticles and 3M nanostructured thin film (NSTF). Transmission electron microscopy (TEM) showed uniform and continuous Pt films with thicknesses of ∼4 nm on the TiO{sub 2} nanoparticles. TEM with electron energy loss spectroscopy analysis revealed W ALD and Pt ALD films with thicknesses of ∼3 nm that were continuous and conformal on the high aspect ratio NSTF substrates. These results demonstrate that cost effective use of Pt ALD on high surface area substrates is possible for PEM fuel cells.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Interpenetration Isomerism in Triptycene‐Based Hydrogen‐Bonded Organic Frameworks

Abstract We describe an example of “interpenetration isomerism” in three‐dimensional hydrogen‐bonded organic frameworks. By exploiting the crystallization conditions for a peripherally extended triptycene H 6 PET, we can modulate the interpenetration of the assembled frameworks, yielding a two‐fold interpenetrated structure PETHOF‐ 1 and a five‐fold interpenetrated structure PETHOF‐ 2 as interpenetration isomers. In PETHOF‐ 1 , two individual nets are related by inversion symmetry and form an interwoven topology with a large guest‐accessible volume of about 80 %. In PETHOF‐ 2 , five individual nets are related by translational symmetry and are stacked in an alternating fashion. The activated materials show permanent porosity with Brunauer‐Emmett‐Teller surface areas exceeding 1100 m 2 g −1 . Synthetic control over the framework interpenetration could serve as a new strategy to construct complex supramolecular architectures from simple organic building blocks.

Li, Penghao↗
DOE OSTI2026

Reaction Optimization for Enzymatic Deconstruction of Industrially Relevant Nylon Composites

Plastics such as polyamides (PAs) possess unique physicochemical properties that make them indispensable in modern society. However, their energy‐intensive production and challenging end‐of‐life management highlight the urgent need for efficient recycling or remanufacturing solutions. Enzymatic depolymerization offers a promising route toward circular recycling, yet remains constrained by limited enzyme characterization, lack of validation under industrially relevant conditions and substrates, and overall performance. Here, we optimized the reaction conditions for three recently discovered nylon‐degrading enzymes. One of them, Nyl12, achieved product titers with PA6 and PA66 that exceed previously reported values, without enzyme engineering or substrate pretreatment. We further demonstrated the scalability of the process and its application to complex PA‐based materials used in microelectronic components. Analysis of substrate features, including surface area and particle size, revealed key parameters governing enzymatic activity and provided a framework for future pretreatment and process optimization efforts. In combination, these efforts provide a new benchmark for enzymatic nylon recycling.

nylon↗
DOE OSTI2014

Heterobimetallic Metal–Organic Framework as a Precursor to Prepare a Nickel/Nanoporous Carbon Composite Catalyst for 4-Nitrophenol Reduction

Nickel/nanoporous carbon (Ni/NPC) composites are facilely prepared by direct pyrolysis of nonporous heterobimetallic zinc-nickel-terephthalate frameworks (Zn1-xNixMOF, x approximate to 0-1, MOF= metal-organic framework) at 1223 K in situ. Tailoring the Ni/Zn ratio creates densely populated and small Ni nanocrystals (Ni NCs) while maintaining sufficient porosity and surface area in the final product, which exhibits the largest activity factor (9.2 s(-1)g(-1)) and excellent stability toward 4-nitrophenol reduction.

mesoporous materials↗
DOE OSTI2018

Dynamic Model of Basic Oxygen Steelmaking Process Based on Multizone Reaction Kinetics: Modeling of Decarburization

In a previous study by the authors (Rout et al. in Metall Mater Trans B 49:537–557, 2018), a dynamic model for the BOF, employing the concept of multizone kinetics was developed. In the current study, the kinetics of decarburization reaction is investigated. The jet impact and slag–metal emulsion zones were identified to be primary zones for carbon oxidation. The dynamic parameters in the rate equation of decarburization such as residence time of metal drops in the emulsion, interfacial area evolution, initial size, and the effects of surface-active oxides have been included in the kinetic rate equation of the metal droplet. A modified mass-transfer coefficient based on the ideal Langmuir adsorption equilibrium has been proposed to take into account the surface blockage effects of SiO{sub 2} and P{sub 2}O{sub 5} in slag on the decarburization kinetics of a metal droplet in the emulsion. Further, a size distribution function has been included in the rate equation to evaluate the effect of droplet size on reaction kinetics. The mathematical simulation indicates that decarburization of the droplet in the emulsion is a strong function of the initial size and residence time. A modified droplet generation rate proposed previously by the authors has been used to estimate the total decarburization rate by slag–metal emulsion. The model’s prediction shows that about 76 pct of total carbon is removed by reactions in the emulsion, and the remaining is removed by reactions at the jet impact zone. The predicted bath carbon by the model has been found to be in good agreement with the industrially measured data.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Synchrotron X-ray studies of model SOFC cathodes, part II: Porous powder cathodes

Infiltrated La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3-δ (LSCF) sintered porous powder cathodes for solid oxide fuel cells have been investigated by synchrotron ultra-small angle x-ray scattering (USAXS). Here, we demonstrated that atomic layer deposition (ALD) is the method for a uniform coating and liquid-phase infiltration for growing nanoscale particles on the porous LSCF surfaces. The MnO infiltrate, grown by ALD, forms a conformal layer with a uniform thickness throughout the pores evidenced by USAXS thickness fringes. The La 0.6 Sr 0.4 CoO 3 (LSC) and La 2 Zr 2 O 7 (LZO) infiltrates, grown by liquid-phase infiltration, were found to form nanoscale particles on the surfaces of LSCF particles resulting in increased surface areas. In conclusion, impedance measurements suggest that the catalytic property of LSC infiltrate, not the increased surface area of LZO, is important for increasing oxygen reduction activities.

36 MATERIALS SCIENCE↗