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At least 343 records · Page 19

Frozen Chemistry Effects on Nozzle Performance Simulations

Simulations of exhaust nozzle flows are typically conducted assuming the gas is calorically perfect, and typically modeled as air. However the gas inside a real nozzle is generally composed of combustion products whose thermodynamic properties may differ. In this study, the effect of gas model assumption on exhaust nozzle simulations is examined. The three methods considered model the nozzle exhaust gas as calorically perfect air, a calorically perfect exhaust gas mixture, and a frozen exhaust gas mixture. In the latter case the individual non-reacting species are tracked and modeled as a gas which is only thermally perfect. Performance parameters such as mass flow rate, gross thrust, and thrust coefficient are compared as are mean flow and turbulence profiles in the jet plume region. Nozzles which operate at low temperatures or have low subsonic exit Mach numbers experience relatively minor temperature variations inside the nozzle, and may be modeled as a calorically perfect gas. In those which operate at the opposite extreme conditions, variations in the thermodynamic properties can lead to different expansion behavior within the nozzle. Modeling these cases as a perfect exhaust gas flow rather than air captures much of the flow features of the frozen chemistry simulations. Use of the exhaust gas reduces the nozzle mass flow rate, but has little effect on the gross thrust. When reporting nozzle thrust coefficient results, however, it is important to use the appropriate gas model assumptions to compute the ideal exit velocity. Otherwise the values obtained may be an overly optimistic estimate of nozzle performance.

Yoder, Dennis A.↗

Nontoxic Ionic Liquid Fuels for Exploration Applications

The toxicity of propellants used in conventional propulsion systems increases not only safety risks to personnel but also costs, due to special handling required during the entire lifetime of the propellants. Orbital Technologies Corporation (ORBITEC) has developed and tested novel nontoxic ionic liquid fuels for propulsion applications. In Phase I of the project, the company demonstrated the feasibility of several ionic liquid formulations that equaled the performance of conventional rocket propellant monomethylhydrazine (MMH) and also provided low volatility and low toxicity. In Phase II, ORBITEC refined the formulations, conducted material property tests, and investigated combustion behavior in droplet and microreactor experiments. The company also explored the effect of injector design on performance and demonstrated the fuels in a small-scale thruster. The ultimate goal is to replace propellants such as MMH with fuels that are simultaneously high-performance and nontoxic. The fuels will have uses in NASA's propulsion applications and also in a range of military and commercial functions.

Coil, Millicent↗

Review on characterization of nano-particle emissions and PM morphology from internal combustion engines: Part 2 [Review on morphology and nanostructure characterization of nano-particle emission from internal combustion engines]

This study presents a review of the characterization of physical properties, morphology, and nanostructure of particulate emissions from internal combustion engines. Because of their convenience and readiness of measurement, various on-line commercial instruments have been used to measure the mass, number, and size distribution of nano-particles from different engines. However, these on-line commercial instruments have inherent limitations in detailed analysis of chemical and physical properties, morphology, and nanostructure of engine soot agglomerates, information that is necessary to understand the soot formation process in engine combustion, soot particle behavior in after-treatment systems, and health impacts of the nano-particles. For these reasons, several measurement techniques used in the carbon research field, i.e., highresolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), and Raman spectroscopy, were used for analysis of engine particulate matter (PM). This review covers a brief introduction of several measurement techniques and previous results from engine nano-particle characterization studies using those techniques.

47 OTHER INSTRUMENTATION↗

Superior performance biodiesel from biomass-derived fusel alcohols and low grade oils: Fatty acid fusel esters (FAFE)

We demonstrated production of a superior performance biodiesel referred to here as fatty acid fusel alcohol esters (FAFE) – by reacting fusel alcohols (isobutanol, 3-methyl-1-butanol, and (S)-(-)-2-methyl-1-butanol) with oil (glyceryl trioleate) using lipase from Aspergillus oryzae. Reaction conditions corresponding to a molar ratio of 5:1 (fusel alcohols to oil), enzyme loading of 2% w/w, reaction temperature of 35 °C, shaking speed of 250 rpm, and reaction time of 24 h achieved >97% conversion to FAFE. Further, FAFE obtained from reacting a fusel alcohol mixture with corn oil were evaluated for use as a fuel for diesel engines. FAFE mixtures showed superior combustion and cold-flow properties, with the derived cetane numbers up to 4.8 points higher, cloud points up to -6 °C lower, and the heat of combustion up to 2.1% higher than the corresponding FAME samples, depending on the fusel mixture used. This represents a significant improvement for all three metrics, which are typically anti-correlated. Finally, FAFE provides a new opportunity for expanded usage of biodiesel by addressing feedstock limitations, fuel performance, and low temperature tolerance.

09 BIOMASS FUELS↗

Combustion of hydrogen-air jets in local chemical equilibrium: A guide to the CHARNAL computer program

A guide to a computer program, written in FORTRAN 4, for predicting the flow properties of turbulent mixing with combustion of a circular jet of hydrogen into a co-flowing stream of air is presented. The program, which is based upon the Imperial College group's PASSA series, solves differential equations for diffusion and dissipation of turbulent kinetic energy and also of the R.M.S. fluctuation of hydrogen concentration. The effective turbulent viscosity for use in the shear stress equation is computed. Chemical equilibrium is assumed throughout the flow.

Spalding, D. B.↗

Wildland Urban Interface (WUI) Emissions: Laboratory Measurement of Aerosol and Trace Gas from Combustion of Manufactured Building Materials

Wildfires are increasing in intensity and more often threatening the wildland urban interface (WUI) where buildings and homes coexist with the natural environment. WUI emissions have not been as well-studied as emissions from vegetation. Thus, there is a need to quantify the emissions of building materials used in home construction under flaming and smoldering conditions to study their impacts to human health, visibility, air quality, and climate. Here, in a controlled laboratory setting, we quantify emissions of aerosols and trace gases including formaldehyde, particulate matter, and black carbon. We focus on the combustion of traditional single-source wood-based construction fuels. Our results indicate that, similar to natural fuels, the aerosol optical properties were more related to combustion conditions than the fuel type. Overall, we observed significant variability in the gas and particle emissions. Consistent trends include high formaldehyde (HCHO) and carbon monoxide (CO) emissions for smoldering conditions and higher carbon dioxide (CO 2 ), nitrogen oxides (NO x ), and black carbon for flaming conditions. Finally, these observations highlight the need to better characterize emissions for materials in the built environment to assess large-scale climate and human health impacts of fires at the WUI.

54 ENVIRONMENTAL SCIENCES↗

Mechanical Characterization of ZnSe Windows for Use With the Flow Enclosure Accommodating Novel Investigations in Combustion of Solids (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. 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 microns, 0.97 +/- 0.02 GPa, 0.97 +/- 0.02 GPa, and 1.0 +/- 0.1 MPa(square root of)m, 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, Jonathan A.↗

Microstructural, optical and dielectric properties of La{sub 0.8}Ba{sub 0.2}FeO{sub 3} nanostructures synthesized by sol-gel combustion method

Barium doped lanthanum ferrite (LaFeO{sub 3}) nanoparticles (NPs) were prepared by gel combustion method and calcinated at 700°C. Microstructural studies were carried by XRD and SEM techniques. The results of structural characterization show the formation of all samples in single phase without any impurity. Optical properties were studied by UV- visible technique. The energy band gap was calculated and obtained 3.01 eV. Dielectric properties characterized by LCR meter and have been observed appreciable changes. The observed behavior of the dielectric properties can be attributed on the basis of Koop’s theory based on Maxwell-Wagner two layer models in studied nanoparticles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Data-assisted combustion simulations with dynamic submodel assignment using random forests

This investigation outlines a data-assisted approach that employs random forest classifiers for local and dynamic submodel assignment in turbulent-combustion simulations. This method is demonstrated in simulations of a single-element GOX/GCH4 rocket combustor; a priori as well as a posteriori assessments are conducted to (i) evaluate the accuracy and adjustability of the classifier for targeting different quantities of interest (QoIs), and (ii) assess improvements, resulting from the data-assisted combustion model assignment, in predicting target QoIs during simulation runtime. Results from the a priori study show that random forests, trained with local flow properties as input variables and combustion model errors as training labels, assign three different combustion models – finite-rate chemistry (FRC), flamelet progress variable (FPV) model, and inert mixing (IM) – with reasonable classification performance even when targeting multiple QoIs. Applications in a posteriori studies demonstrate improved predictions from data-assisted simulations, in temperature and CO mass fraction, when compared with monolithic FPV calculations. An additional a posteriori data-assisted simulation of a modified configuration demonstrates that the present approach can be successfully applied to different configurations, as long as thermophysical behavior can be represented by the training data. Furthermore, these results demonstrate that this data-driven framework holds promise for dynamic combustion submodel assignments in reacting flow simulations.

42 ENGINEERING↗

Facile combustion synthesis of ZnO nanoparticles using Cajanus cajan (L.) and its multidisciplinary applications

Graphical abstract: Facile combustion synthesis of ZnO nanoparticles using Cajanuscajan (L.) and its multidisciplinary applications.Zinc oxide nanoparticles were successfully synthesized by solution combustion method (SCM) using pigeon pea as a combustible fuel for the first time. The as-prepared product shows good photocatalytic, dielectric, antibacterial, electrochemical properties. - Highlights: • ZnO Nps were synthesized via combustion method using pigeon pea as a fuel. • The structure of the product was confirmed by XRD technique. • The morphology was confirmed by SEM and TEM images. • The as-prepared product shown good photocatalytic activity, dielectric property. • It has also shown good antibacterial and electrochemical properties. - Abstract: Zinc oxide nanoparticles (ZnO Nps) were successfully synthesized by solution combustion method (SCM) using pigeon pea as a fuel for the first time. X-Ray diffraction pattern reveals that the product belongs to hexagonal system. FTIR spectrum of ZnO Nps shows the band at 420 cm{sup −1} associated with the characteristic vibration of Zn–O. TEM images show that the nanoparticles are found to be ∼40–80 nm. Furthermore, the as-prepared ZnO Nps exhibits good photocatalytic activity for the photodegradation of methylene blue (MB), indicating that they are indeed a promising photocatalytic semiconductor. The antibacterial properties of ZnO nanopowders were investigated by their bactericidal activity against four bacterial strains.

36 MATERIALS SCIENCE↗

Fuel Effects on Multimode Engine Operation (Sandia National Laboratories) (DOE VTO Annual Progress Report for FY21)

In total, light-duty vehicles in the United States travel on the order of 3 trillion miles annually, providing tremendous societal and personal benefits. However, the environmental burden is excessive, prompting Co-Optimization of Fuel and Engines (Co-Optima) program efforts to provide the science needed to increase engine efficiency and produce non-fossil fuels with reduced greenhouse gas emissions. Boosted spark-ignition (SI) engines provide high power density by offering high loads and engine speeds, making them light-weight and attractive for light-duty vehicles. Unfortunately, the engine efficiency drops off at lower loads and speeds, where the engine spends most time during typical driving. Multimode SI engines can use a more efficient advanced lean combustion mode at lower loads and speeds, while reverting to boosted SI under high-load conditions. Within Co-Optima, multiple advanced lean combustion modes have been explored; these include stratified-charge SI, pre-chamber lean SI, and advanced compression ignition (ACI) techniques such as spark-assisted compression ignition (SACI). For these combustion modes, focus has been on determining fuel properties that enable higher engine efficiency, clean and stable combustion, and effective exhaust aftertreatment. This report highlights recent efforts funded by the Vehicle Technologies Office at multiple National Laboratories that supported the multimode project in Co-Optima. It also includes a brief summary of biofuel production research funded by the Bioenergy Technologies Office.

33 ADVANCED PROPULSION SYSTEMS↗

Structural and optical properties of ZnO: K synthesized by sol-gel auto-combustion route

The structural and optical behavior of ZnO and ZnO doped with K synthesized by solution combustion route is reported in this article. The XRD patterns confirm the substitution of K atoms into ZnO lattice. There are no secondary peaks observed in the XRD patterns. The band gap of the K doped samples show a red shift on comparison with the bandgap of ZnO. The photoluminescence spectral study discloses the quenching behavior of UV emission and the aggrandizing blue emission when K content increases. The rich presence of defects is confirmed from the optical analysis and a practical mechanism, involving Zn{sub i} for the origin of the blue emission in ZnO is discussed here.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Synthesis and luminescent properties of Tb3+ doped BaLa2ZnO5 nanoparticles

Highlights: • First combustion-synthesis report of BaLa{sub 2-x}ZnO{sub 5}:xTb{sup 3+} nanophosphors. • Lattice parameters and atomic positions have been refined. • Critical distance for non-radiative energy transfer has been calculated. • These nanophosphors are suitable candidate for solid state lighting. • Some blue to green color tunability has been found. - Abstract: Nanophosphor powders of composition BaLa{sub 2}ZnO{sub 5}:Tb{sup 3+} have been synthesized via using urea assisted solution combustion method using metal nitrates as the precursor materials. The structural, morphological and luminescent properties have been investigated by powder X-ray diffraction (XRD) and photoluminescence (PL) spectroscopy. The Rietveld analysis showed that these nanophosphors crystallize in the tetrahedral phase with the 14/mcm (140) space group. The crystallite size was determined by Scherer formula and was found to be 70 nm. The photoluminescent excitation of these nanocrystals at 278 nm yielded the characteristic emission peaks at 545 nm and 489 nm due to {sup 5}D{sub 4} → {sup 7}F{sub 5} (magnetic-dipole) and {sup 5}D{sub 4} → {sup 7}F{sub 6} (electric-dipole) transitions, respectively. The optimum activator concentration was found to be 3 mol% and the concentration quenching arising from the over-doping was attributed to the quadrupole–quadrupole interactions. The excellent luminescent profile of these nano-scaled particles suggests their auspicious applications in the solid-state lighting and display technology.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Solution Combustion Synthesis of Fe{sub 3}O{sub 4} Powders Using Mixture of CTAB and Citric Acid Fuels

Magnetite (Fe{sub 3}O{sub 4}) powders were synthesized by solution combustion method using a mixture of cetyltrimethylammonium bromide (CTAB) and citric acid fuels at various fuel to oxidant ratios (ϕ = 0.5, 1, 1.5, and 2). Phase evolution investigated by x-ray diffraction method showed single-phase Fe{sub 3}O{sub 4} powders were only formed at ϕ = 1 using mixture of fuels, while impurity α-Fe{sub 2}O{sub 3} phase together with magnetite phase was completely disappeared at ϕ = 2 for CTAB fuel alone. The specific surface area and porous structures of the as-combusted Fe{sub 3}O{sub 4} powders were characterized by N{sub 2} adsorption-desorption isotherms and scanning electron microscopy techniques, respectively. The specific surface area using the mixture of fuels (37 m{sup 2}/g) was higher than that of CTAB fuel alone (32 m{sup 2}/g). Magnetic properties of the as-combusted powders were studied by vibration sample magnetometry method. The highest saturation magnetization of 83 emu/g was achieved by mixture of fuels at ϕ = 1, due to the high purity and large particle size.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Additively manufactured metal energetic ligand precursors and combustion synthesis

Processes for tailoring the macroscopic shape, metallic composition, mechanical properties, and pore structure of nanoporous metal foams prepared through combustion synthesis via direct write 3D printing of metal energetic ligand precursor inks made with water and an organic thickening agent are disclosed. Such processes enable production of never before obtainable metal structures with hierarchical porosity, tailorable from the millimeter size regime to the nanometer size regime. Structures produced by these processes have numerous applications including, but not limited to, catalysts, heat exchangers, low density structural materials, biomedical implants, hydrogen storage medium, fuel cells, and batteries.

Tappan, Bryce↗

Opposed jet burner studies of silane-methane, silane-hydrogen and hydrogen diffusion flames with air

An atmospheric pressure tubular opposed jet burner technique was used to characterize certain diffusion-flame transitions and associated burning rates for N2-diluted mixtures of highly-reactive fuels. Presented are: (1) details of the technique, with emphasis on features permitting the study of flames involving pyrophoric gases and particle-forming combustion reactions: (2) discoveries on the properties of these flames which correspond to physically and chemically distinct stages of silane and hydrogen combustion; and (3) unburnt gas velocity data obtained from flames based on SiH4-CH4-N2, SiH4-H2-N2, and H2-N2 fuel mixtures, and plotted as functions of combustible-fuel mole fraction and fuel/oxygen molar input flow ratios. In addition, these burning velocity results are analyzed and interpreted.

Pellett, G. L.↗

Opposed jet burner studies of silane-methane, silane-hydrogen, and hydrogen diffusion flames with air

An atmospheric pressure tubular opposed jet burner technique was used to characterize certain diffusion-flame transitions and associated burning rates for N2-diluted mixtures of highly-reactive fuels. The paper presents: (1) details of the technique, with emphasis on features permitting the study of flames involving pyrophoric gases and particle-forming combustion reactions; (2) discoveries on the properties of these flames which correspond to physically and chemically distinct stages of silane and hydrogen combustion; and (3) unburnt gas velocity data obtained from flames based on SiH4-CH4-N2, SiH4-H2-N2, and H2-N2 fuel mixtures, and plotted as functions of combustible-fuel mole fraction and fuel/oxygen molar input flow ratios. In addition, these burning velocity results are analyzed and interpreted.

Pellett, G. L.↗