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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Influence of Ni substitution on structural and magnetic properties of Zn{sub 0.85−x}Ni{sub x}Mg{sub 0.05}Cu{sub 0.1}Fe{sub 2}O{sub 4} ferrite

Nano-crystalline Zn{sub 0.85−x}Ni{sub x}Mg{sub 0.05}Cu{sub 0.1}Fe{sub 2}O{sub 4}, (x = 0.0, 0.17, 0.34, 0.51, 0.68 and, 0.85), were synthesized by sol gel auto combustion method and, effect of Ni content on structural and magnetic properties is studied by x-ray diffraction (XRD) and, magnetic measurements. XRD confirms the formation of single phase spinel ferrite, with Scherrer's grain diameter ranging between 18.95 nm to 33.85 nm. Experimental and theoretical lattice parameter values suggest that the estimated cation distribution is close to the real distribution. Change in Ni-content leads to variation in cation distribution at site A, B and, migration of Cu{sup 2+} ion from B to A site. Ni{sup 2+} ion remains at both A and B site, but when Zn is fully replaced by Ni, it totally goes to A site. Coercivity and anisotropy constant values respectively ranges' between 251.2 to 372.4 Oe and 0.06 × 10{sup 5} to 0.80 × 10{sup 5} erg/cc. Best magnetization value of 43.7 emu/g was obtained for × = 0.68. Variation of magnetic properties can be understood in terms of observed changes in cation distribution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Effect of A-site deficiency in LaMn{sub 0.9}Co{sub 0.1}O{sub 3} perovskites on their catalytic performance for soot combustion

Highlights: • A-site defective perovskites increases the oxidation state of the B-cation. • Not always non-stoichiometric perovskites exhibit higher catalytic activity in soot combustion. • The highly symmetric cubic crystalline structure diminishes the redox properties of perovskites. - Abstract: The influence of lanthanum stoichiometry in Ag-doped (La{sub 1-x}Ag{sub x}Mn{sub 0.9}Co{sub 0.1}O{sub 3}) and A-site deficient (La{sub 1-x}Mn{sub 0.9}Co{sub 0.1}O{sub 3-δ}) perovskites with x equal to 10, 20 and 30 at.% has been investigated in catalysts for soot combustion. The catalysts were prepared by the amorphous citrate method and characterized by XRD, nitrogen adsorption, XPS, O{sub 2}-TPD and TPR. The formation of a rhombohedral excess-oxygen perovskite for Ag-doped and a cubic perovskite structure for an A-site deficient series is confirmed. The efficient catalytic performance of the larger Ag-doped perovskite structure is attributed to the rhombohedral crystalline structure, Ag{sub 2}O segregated phases and the redox pair Mn{sup 4+}/Mn{sup 3+}. A poor catalytic activity for soot combustion was observed with A-site deficient perovskites, despite the increase in the redox pair Mn{sup 4+}/Mn{sup 3+}, which is attributed to the cubic crystalline structure.

36 MATERIALS SCIENCE↗
NASA NTRS1990

A study of hydrogen environment effects on microstructure property behavior of NASA-23 alloy and related alloy systems

This work is part of the overall advanced main combustion chamber (AMCC) casting characterization program of the Materials and Processes Laboratory of the Marshall Space Flight Center. The influence of hydrogen on the tensile properties and ductility behavior of NASA-23 alloy were analyzed. NASA-23 and other referenced alloys in cast and hipped conditions were solution treated and aged under selected conditions and characterized using optical metallography, scanning electron microscopy, and electron microprobe analysis techniques. The yield strength of NASA-23 is not affected much by hydrogen under tensile tests carried at 5000 psig conditions; however, the ultimate strength and ductility properties are degraded. This implies that the physical mechanisms operating would be related to the plastic deformation process. The fracture surfaces characteristics of NASA-23 specimens tensile tested in hydrogen, helium, and air were also analyzed. These revealed surface cracks around specimen periphery with the fracture surface showing a combination of intergranular and transgranular modes of fracture. It is seen that the specimens charged in hydrogen seem to favor a more brittle fracture mode in comparison to air and helium charged specimens. The AMCC casting characterization program is to be analyzed for their hydrogen behavior. As a result of this program, the basic microstructural factors and fracture characteristics in some cases were analyzed.

Diwan, Ravinder M.↗
NASA NTRS2006

Mechanical Properties of ZnSe for the FEANICS Module

Mechanical and physical properties of ZnSe windows to be used with the FEANICS (Flow Enclosure Accommodating Novel Investigations in Combustion of Solids) experiments were measured in order to determine design allowables. In addition, the literature on crack growth properties was summarized. The average Young's modulus, Poisson's ratio, equibiaxial fracture strength, flaw size, grain size, Knoop hardness, Vicker's hardness, and branching constant were 74.3 +/- 0.1 GPa, 0.31, 57.8 +/- 6.5 MPa, 21 4 mm, 43 +/- 9 micron, 0.97 +/- 0.02 GPa, 0.97 +/- 0.02 GPa, and 1.0 +/- 0.1 MPam(exp 0.5), respectively. The properties of current ZnSe made by chemical vapor deposition are in good agreement with those measured in the 1970's. The hardness of CVD ZnSe windows is about one twentieth of the sapphire window being replaced, and about one-sixth of that of window glass. Thus the ZnSe window must be handled with great care. The large grain size relative to the inherent crack size implies the need to use single crystal crack growth properties in the design process. In order to determine the local failure stresses in one of the test specimens, a solution for the stresses between the support ring and the edge of a circular plate load between concentric rings was derived.

Salem, Jon↗
DOE OSTI2013

Swift heavy ion induced structural and optical properties of Y{sub 2}O{sub 3}:Eu{sup 3+} nanophosphor

Highlights: ► Europium doped yttrium oxide nanophosphor was synthesized via combustion method. ► Prepared nanophosphor was irradiated by 150 MeV Swift heavy ion (Ni{sup 7+}). ► Structural (XRD, FTIR, and TEM) and optical properties (DR and PL) after ion irradiation were studied. ► Band gap increases with ion fluence due to the decrease in average crystallite size. -- Abstract: This paper reports the structural and optical modifications of Y{sub 2}O{sub 3}:Eu{sup 3+} nanophosphor induced by 150 MeV Ni{sup 7+} swift heavy ions (SHI) in the fluence range 1 × 10{sup 11} to 1 × 10{sup 13} ions/cm{sup 2}. The XRD, TEM and FTIR studies confirm the loss of crystallinity of the nanophosphors after ion irradiation. Diffuse reflectance spectrum shows a blue shift in the absorption band for SHI induced nanophosphors. An increase in the intensity of photoluminescence peaks without any shift in the peak positions was observed.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Low Emissions Burner Technology for Metal Processing Industry using Byproducts and Biomass Derived Liquid Fuels (Final Report)

This research and development efforts produced low-emission burner technology capable of operating on natural gas as well as crude glycerin and/or fatty acids generated in biodiesel plants. The research was conducted in three stages (1) Concept definition leading to the design and development of a small laboratory scale burner, (2) Scale-up to prototype burner design and development, and (3) Technology demonstration with field vefiication. The burner design relies upon the Flow Blurring (FB) fuel injection based on aerodynamically creating two-phase flow near the injector exit. The fuel tube and discharge orifice both of inside diameter D are separated by gap H. For H < 0.25D, the atomizing air bubbles into liquid fuel to create a two-phase flow near the tip of the fuel tube. Pressurized two-phase fuel-air mixture exits through the discharge orifice, which results in expansion and breakup of air bubbles yielding a spray with fine droplets. First, low-emission combustion of diesel, biodiesel and straight VO (soybean oil) was achieved by utilizing FB injector to yield fine sprays for these fuels with significantly different physical properties. Visual images for these baseline experiments conducted with heat release rate (HRR) of about 8 kW illustrate clean blue flames indicating premixed combustion for all three fuels. Radial profiles of the product gas temperature at the combustor exit overlap each other signifying that the combustion efficiency is independent of the fuel. At the combustor exit, the NOx emissions are within the measurement uncertainties, while CO emissions are slightly higher for straight VO as compared to diesel and biodiesel. Considering the large variations in physical and chemical properties of fuels considered, the small differences observed in CO and NOx emissions show promise for fuel-flexible, clean combustion systems. FB injector has proven to be very effective in atomizing fuels with very different physical properties, and it offers a path forward to utilize both fossil and alternative liquid fuels in the same combustion system. In particular, experiments show that straight VO can be cleanly combusted without the need for chemical processing or preheating steps, which can result in significant economic and environmental benefits. Next, low-emission combustion of glycerol/methane was achieved by utilizing FB injector to yield fine droplets of highly viscous glycerol. Heat released from methane combustion further improves glycerol pre-vaporization and thus its clean combustion. Methane addition results in an intensified reaction zone with locally high temperatures near the injector exit. Reduction in methane flow rate elongates the reaction zone, which leads to higher CO emissions and lower NOx emissions. Similarly, higher air to liquid (ALR) mass ratio improves atomization and fuel pre-vaporization and shifts the flame closer to the injector exit. In spite of these internal variations, all fuel mixes of glycerol with methane produced similar CO and NOx emissions at the combustor exit. Results show that FB concept provides low emissions with the flexibility to utilize gaseous and highly viscous liquid fuels, straight VO and glycerol, without preheating or preprocessing the fuels. Following these initial experiments in quartz combustor, we demonstrated that glycerol combustion can be stably sustained in a metal combustor. Phase Doppler Particle Analyzer (PDPA) measurements in glycerol/methane flames resulted in flow-weighted Sauter Mean Diameter (SMD) of 35 to 40 μm, depending upon the methane percentage. This study verified that lab-scale dual-fuel burner using FB injector can successfully atomize and combust glycerol and presumably other highly viscous liquid fuels at relatively low HRR (<10 kW). For industrial applications, a scaled-up glycerol burner design thus seemed feasible.

03 NATURAL GAS↗
DOE OSTI2025

Energy-efficient carbon capture from industrial point sources via commercially available green solvent and hollow fiber membrane contactors

Solvent-based absorption systems have emerged in the carbon capture space due to their high absorption capacities, reusability, and favorable energy requirements. Using diethyl sebacate as a solvent for pre- and post-combustion carbon capture has advantages over other solvents, including high hydrophobicity, low viscosity, low vapor pressure, high CO 2 solubility, high CO 2 selectivity, and being commercially available in large quantities. Despite these advantageous properties, the use of diethyl sebacate as a solvent for post-combustion carbon capture has not been studied in detail. To examine the capability of diethyl sebacate, a scalable, energy-efficient, hollow fiber membrane (microporous polypropylene and polyvinylidene fluoride) contactor (HFMC)-based process with low-cost and high surface area is investigated. A purity of 95.3 % CO 2 with 46 % recovery in one absorption stage was achieved, with a permeate flux over one magnitude greater than using a deep eutectic solvent in the same system. Technoeconomic analysis determined a ∼ 0.8 GJ per ton of CO 2 at a processing cost of ∼$93 per ton of CO 2 . Results from this work underscore the potential for utilizing green solvents in HFMC-based separation processes for effective carbon capture and provide a pathway towards practical deployment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Modified Magnetic and Electrical Properties of Perovskite-Spinel Multiferroic Composites

Multiferroic composite samples (1 − x) Bi{sub 0.9}Pr{sub 0.1}FeO{sub 3}–xNi{sub 0.5}Co{sub 0.5}Fe{sub 2}O{sub 4} for x = 0, 0.1, 0.2, 0.3, and 1.0 were synthesized by sol-gel auto-combustion method. Detailed investigations were made on the structural, magnetic, and electrical properties of these composites. The X-ray diffraction (XRD) patterns confirm the co-existence of perovskite BPFO and spinel ferrite NCFO without any impurity phase. The average particle size of BPFO and NCFO nanoparticles is nearly equal to 110 nm and 35 nm respectively which are confirmed by XRD and transmission electron microscopy (TEM) analysis. Structural and surface morphology are studied by scanning electron microscopy (SEM). The dielectric properties of the composites are also studied at room temperature. The saturation and remnant magnetization are found to increase with increase in NCFO weight percentage in the composites. The saturation magnetization (Ms) values are 3.38 emu/g, 8.65 emu/g, and 13.87 emu/g and coercivity (Hc) values are 936.52 Oe, 1058.12 Oe, and 1046.77 Oe for BPFO-NCFO 1, 2, and 3 composite samples respectively. The incorporation of BPFO and NCFO enhances the multiferroic properties in the present composite materials which are quite promising for applications point of view.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Structural, Magnetic and Microwave Absorption Properties of Ba{sub 0.5}Sr{sub 0.5}Ni{sub 2−x} (MgZn) {sub x/2}Fe{sub 16}O{sub 27} Hexaferrite Nanoparticles Prepared by the Sol-Gel Combustion Method

In this study, Sr–Ba hexaferrite nanoparticles (Ba{sub 0.5}Sr{sub 0.5}Ni{sub 2−x}(MgZn){sub (x/2)}Fe{sub 16}O{sub 27}, x = –0.6, in the step of 0.2) was synthesized by the sol-gel method. The influence of Mg–Zn substitution on the structure and microwave absorption properties of Ni–W-type hexaferrite were investigated by technical methods such as x-ray diffraction, vector network analyzer, transmission electron micrograph and vibrating sample magnetometer. TEM images illustrated almost spherical particles with an average size of 35–52 nm. The M–H loops for all samples were measured at room temperature by vibrating sample magnetometer. Saturation magnetization (M{sub s}) and coercivity (H{sub c}) were derived from the hysteresis loops. The maximum field used in this measurement was 9 kilo-Oersted (kOe) Finally, the microwave absorption properties of these samples were investigated in Ku band range. The thickness of the composites was 2 mm in microwave absorption measurements. The results showed that the synthesized samples have a great potential in many fields of industry.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1999

Combustion Synthesis of Advanced Porous Materials in Microgravity Environment

Combustion synthesis, otherwise known as self-propagating high temperature synthesis (SHS), can be used to produce engineered advanced porous material implants which offer the possibility for bone ingrowth as well as a permanent structure framework for the long-term replacement of bone defects. The primary advantage of SHS is based on its rapid kinetics and favorable energetics. The structure and properties of materials produced by SHS are strongly dependent on the combustion reaction conditions. Combustion reaction conditions such as reaction stoichiometry, particle size, green density, the presence and use of diluents or inert reactants, and pre-heating of the reactants, will affect the exothermicity of the reaction. A number of conditions must be satisfied in order to obtain high porosity materials: an optimal amount of liquid, gas and solid phases must be present in the combustion front. Therefore, a balance among these phases at the combustion front must be created by the SHS reaction to successfully engineer a bone replacement material system. Microgravity testing has extended the ability to form porous products. The convective heat transfer mechanisms which operate in normal gravity, 1 g, constrain the combustion synthesis reactions. Gravity also acts to limit the porosity which may be formed as the force of gravity serves to restrict the gas expansion and the liquid movement during reaction. Infiltration of the porous product with other phases can modify both the extent of porosity and the mechanical properties.

Zhang, X.↗
NASA NTRS2001

CFD Simulation of Liquid Rocket Engine Injectors

Detailed design issues associated with liquid rocket engine injectors and combustion chamber operation require CFD methodology which simulates highly three-dimensional, turbulent, vaporizing, and combusting flows. The primary utility of such simulations involves predicting multi-dimensional effects caused by specific injector configurations. SECA, Inc. and Engineering Sciences, Inc. have been developing appropriate computational methodology for NASA/MSFC for the past decade. CFD tools and computers have improved dramatically during this time period; however, the physical submodels used in these analyses must still remain relatively simple in order to produce useful results. Simulations of clustered coaxial and impinger injector elements for hydrogen and hydrocarbon fuels, which account for real fluid properties, is the immediate goal of this research. The spray combustion codes are based on the FDNS CFD code' and are structured to represent homogeneous and heterogeneous spray combustion. The homogeneous spray model treats the flow as a continuum of multi-phase, multicomponent fluids which move without thermal or velocity lags between the phases. Two heterogeneous models were developed: (1) a volume-of-fluid (VOF) model which represents the liquid core of coaxial or impinger jets and their atomization and vaporization, and (2) a Blob model which represents the injected streams as a cloud of droplets the size of the injector orifice which subsequently exhibit particle interaction, vaporization, and combustion. All of these spray models are computationally intensive, but this is unavoidable to accurately account for the complex physics and combustion which is to be predicted, Work is currently in progress to parallelize these codes to improve their computational efficiency. These spray combustion codes were used to simulate the three test cases which are the subject of the 2nd International Workshop on-Rocket Combustion Modeling. Such test cases are considered by these investigators to be very valuable for code validation because combustion kinetics, turbulence models and atomization models based on low pressure experiments of hydrogen air combustion do not adequately verify analytical or CFD submodels which are necessary to simulate rocket engine combustion. We wish to emphasize that the simulations which we prepared for this meeting are meant to test the accuracy of the approximations used in our general purpose spray combustion models, rather than represent a definitive analysis of each of the experiments which were conducted. Our goal is to accurately predict local temperatures and mixture ratios in rocket engines; hence predicting individual experiments is used only for code validation. To replace the conventional JANNAF standard axisymmetric finite-rate (TDK) computer code 2 for performance prediction with CFD cases, such codes must posses two features. Firstly, they must be as easy to use and of comparable run times for conventional performance predictions. Secondly, they must provide more detailed predictions of the flowfields near the injector face. Specifically, they must accurately predict the convective mixing of injected liquid propellants in terms of the injector element configurations.

Farmer, Richard↗
DOE OSTI2013

White upconversion emission in Y{sub 2}O{sub 3}:Er{sup 3+}–Tm{sup 3+}–Yb{sup 3+}phosphor

Graphical abstract: Schematic energy level diagram of Er{sup 3+}–Yb{sup 3+}–Tm{sup 3+} system upon excitation at 980 nm. Highlights: ► Prepared the Er{sup 3+}–Tm{sup 3+}–Yb{sup 3+} codoped Y{sub 2}O{sub 3} phosphor. ► Excitation of the sample by 980 nm diode laser is studied. ► Explored the possibility of getting white light emission from the synthesized phosphor. ► Colour tunability of the prepared phosphor is studied. ► Temperature sensing behaviour is investigated using FIR studied. - Abstract: Er{sup 3+}–Tm{sup 3+}–Yb{sup 3+} codoped Y{sub 2}O{sub 3} phosphor has been synthesized by optimized combustion synthesis process and its white light upconversion emission property is investigated using cheap 980 nm diode laser excitation. Efficient red, green and blue light emission bands, necessary for attaining white light emission, are observed in the codoped sample. The concentration of each rare earth ion is adjusted to get the required emission. In this phosphor, interestingly, emission colour coordinates are found to almost independent on the excitation power density. The temperature sensing behaviour of the prepared samples has also been studied using fluorescence intensity ratio (FIR) technique.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Frequency upconversion in Er{sup 3+} doped Y{sub 2}O{sub 3} nanophosphor:Yb{sup 3+} sensitization and tailoring effect of Li{sup +} ion

Graphical abstract: - Highlights: • Dual mode luminescence behavior of Er{sup 3+} in oxide phosphor. • Sensitization through Yb{sup 3+} codoping, and tailoring effect of lithium ion. • Phosphors for lighting and display applications. - Abstract: Er{sup 3+} doped Y{sub 2}O{sub 3} nanophosphor has been synthesized using solution combustion technique and further characterized for structure and optical properties. Optical properties of Er{sup 3+} ion have been studied both through frequency upconversion (UC) as well as through fluorescence (excitation, emission, and CIE co-ordinate analysis) processes. Further to enhance the UC emission of Er{sup 3+} ions, a two step process has been used. In the first step, Yb{sup 3+} ion has been co-doped, which acts as the sensitizer for Er{sup 3+} through energy transfer process. In the second step, different concentrations of Li{sup +} ions have been co-doped in the Er{sup 3+}/Yb{sup 3+}:Y{sub 2}O{sub 3} system. Fourier transform infrared analysis, and X-ray diffraction (XRD) followed by Le-Bail refinement of the XRD data reveal that the co-doping of Li{sup +} ion decreases unit cell parameter, increases the particle size, and removes the quenching centers (like OH, NO{sub x}, etc.), which all together causes a significant enhancement in UC emission. Optimum UC luminescence is attained for 5 mol% Li{sup +} doping concentration beyond which a quenching in UC emission is observed. This combined approach, i.e. Yb{sup 3+} sensitization and Li{sup +} ion tailoring simultaneously enhances the UC emission intensity of Er{sup 3+} several times in yttria matrix effectively. The strategy can be generalized in other hosts also which could help in the development of efficient photonic materials for lighting and display devices.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Modular Pd/Zeolite Composites Demonstrating the Key Role of Support Hydrophobic/Hydrophilic Character in Methane Catalytic Combustion

Complete catalytic oxidation of methane in the presence of steam at low temperatures (T < 400 °C) is a crucial reaction for emission control, yet it presents profound challenges. The activation of the strong C–H bond of methane at low temperature is difficult, and the water present in any realistic application poisons the active surface and promotes sintering of Pd particles during the reaction. Finding materials that can deliver high reaction rates while being more resistant to the presence of water is imperative for advancing several technological applications of natural gas-based systems. However, methods to fairly compare the activity of Pd catalysts (the most active metal for methane combustion) are needed in order to perform useful structure–property relationship studies. Here in this paper, we report a method to study how zeolite hydrophobicity affects the activity of Pd nanoparticles in the reaction, which led to a significant improvement in the water resistance. Mesoporous zeolites were synthesized starting from commercially available microporous zeolites. In this way, a variety of hierarchically porous zeolites, with different hydrophobic/hydrophilic character, were prepared. Preformed colloidal Pd nanoparticles could be deposited within mesostructured zeolites. This approach enabled the systematic study of key parameters such as zeolite framework, Al content, and the Pd loading while maintaining the same Pd particle size and structure for all the samples. Detailed catalytic studies revealed an optimum hydrophobic/hydrophilic character, and a promising steam-resistant catalyst, namely, 3.2 nm Pd particles supported on mesoporous zeolite beta or USY with a Si/Al ratio of 40, emerged from this multiparametric study with a T 50 of 355 °C and T 90 of 375 °C (where T 50 and T 90 are temperature values at which the samples reach 50% and 90% methane conversion, respectively) in steam-containing reaction conditions. Finally, we verified that the designed catalysts were stable by in-depth postcatalysis characterization and operando diffuse-reflectance infrared Fourier-transform spectroscopy (DRIFTS) analyses confirming that water adsorbs less strongly on the active PdO surface due to interaction with the zeolite acid sites. This method can be of general use to study how zeolite supports affect the reactivity of supported metals in several catalytic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Influence of additives on the increase of the heating value of Bayah’s coal with upgrading brown coal (UBC) method

UBC (upgrading brown coal) is a method of improving the quality of coal by using oil as an additive. Through processing in the oil media, not just the calories that increase, but there is also water repellent properties and a decrease in the tendency of spontaneous combustion of coal products produced. The results showed a decrease in the water levels of natural coal bayah reached 69%, increase in calorific value reached 21.2%. Increased caloric value and reduced water content caused by the water molecules on replacing seal the pores of coal by oil and atoms C on the oil that is bound to increase the percentage of coal carbon. As a result of this experiment is, the produced coal has better calorific value, the increasing of this new calorific value up to 23.8% with the additive waste lubricant, and the moisture content reduced up to 69.45%.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Ligand-specific transcriptional mechanisms underlie aryl hydrocarbon receptor-mediated developmental toxicity of oxygenated PAHs

Polycyclic aromatic hydrocarbons (PAHs) are priority environmental contaminants that exhibit mutagenic, carcinogenic, proinflammatory, and teratogenic properties. Oxygen-substituted PAHs (OPAHs) are formed during combustion processes and via phototoxidation and biological degradation of parent (unsubstituted) PAHs. Despite their prevalence both in contaminated industrial sites and in urban air, OPAH mechanisms of action in biological systems are relatively understudied. Like parent PAHs, OPAHs exert structure-dependent mutagenic activities and activation of the aryl hydrocarbon receptor (AHR) and cytochrome p450 metabolic pathway. Four-ring OPAHs 1,9-benz-10-anthrone (BEZO) and benz(a)anthracene-7,12-dione (7,12-B[a]AQ) cause morphological aberrations and induce markers of oxidative stress in developing zebrafish with similar potency, but only 7,12-B[a]AQ induces robust Cyp1a protein expression. We investigated the role of the AHR in mediating the toxicity of BEZO and 7,12-B[a]AQ, and found that knockdown of AHR2 rescued developmental effects caused by both compounds. Using RNA-seq and molecular docking, we identified transcriptional responses that precede developmental toxicity induced via differential interaction with AHR2. Redox-homeostasis genes were affected similarly by these OPAHs, while 7,12-B[a]AQ preferentially activated phase 1 metabolism and BEZO uniquely decreased visual system genes. Analysis of biological functions and upstream regulators suggests that BEZO is a weak AHR agonist, but interacts with other transcriptional regulators to cause developmental toxicity in an AHR-dependent manner. Furthermore, identifying ligand-dependent AHR interactions and signaling pathways is essential for understanding toxicity of this class of environmentally relevant compounds.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2018

What Can Charcoal Reflectance Tell Us About Energy Release in Wildfires and the Properties of Pyrogenic Carbon?

Here, we explore how charcoal formation under different heating regimes and circumstances leads to chars of different physical properties. In order to do this, we have undertaken (1) carefully controlled laboratory experiments that replicate the different heating regimes that might be experienced during a wildfire and (2) two experimental wildfires where heat variations were monitored across the burn from which resulting charcoal has been studied. The charcoal properties were assessed using charcoal reflectance that measures the light reflected back from the charcoals structure and which links to changes in its structural properties. We find that increased total heat released during combustion positively correlates with increased charcoal reflectance and that this is evidenced from both our laboratory experiments and experimental wildfires. Charcoals that related to lower total heat release were found to have more lignin remaining than those subjected to greater heating indicating that charcoals formed in lower energy regimes are likely to be more susceptible to post-fire degradation. We conclude that charcoal reflectance may make a useful metric with which to determine the distribution of energy delivery across a burned area and that this may be utilized to inform both variations in fire severity and enable the prediction of long-term C budgeting for different types of wildfire.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Source apportionment of soot particles and aqueous-phase processing of black carbon coatings in an urban environment

Abstract. The impacts of soot particles on climate and human health depend on the concentration of black carbon (BC) as well as the thickness and composition of the coating material, i.e., organic and inorganic compounds internally mixed with BC. In this study, the size-resolved chemical composition of BC-containing aerosol was measured using a high-resolution soot particle aerosol mass spectrometer (SP-AMS) during wintertime in Fresno, California, a location influenced by abundant combustion emissions and frequent fog events. Concurrently, particle optical properties were measured to investigate the BC absorption enhancement. Positive matrix factorization (PMF) analysis was performed on the SP-AMS mass spectral measurements to explore the sources of soot particles and the atmospheric processes affecting the properties of BC coatings. The analysis revealed that residential woodburning and traffic are the dominant sources of soot particles. Alongside primary soot particles originating from biomass burning (BBOABC) and vehicles (HOABC) two distinct types of processed BC-containing aerosol were identified: fog-related oxidized organic aerosol (FOOABC) and winter-background OOABC (WOOABC). Both types of OOABC showed evidence of having undergone aqueous processing, albeit with differences. The concentration of FOOABC was substantially elevated during fog events, indicating the formation of aqueous secondary organic aerosol (aqSOA) within fog droplets. On the other hand, WOOABC was present at a relatively consistent concentration throughout the winter and was likely related to the formation of secondary organic aerosol (SOA) in both the gas phase and aerosol liquid water. By comparing the chemical properties and temporal variations in FOOABC and WOOABC, we gain insights into the key aging processes of BC aerosol. It was found that aqueous-phase reactions facilitated by fog droplets had a significant impact on the thickness and chemical composition of BC coatings, thereby affecting the light absorption and hygroscopic properties of soot particles. These findings underscore the important role of chemical reactions occurring within clouds and fogs and influencing the climate forcing of BC aerosol in the atmosphere.

54 ENVIRONMENTAL SCIENCES↗