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At least 415 records · Page 23

Correlation of physical properties with molecular structure for some dicyclic hydrocarbons having high thermal-energy release per unit volume -- 2-alkylbiphenyl and the two isomeric 2-alkylbicyclohexyl series

Three homologous series of related dicyclic hydrocarbons are presented for comparison on the basis of their physical properties, which include net heat of combustion, density, melting point, boiling point, and kinematic viscosity. The three series investigated include the 2-n-alkylbiphenyl, 2-n-alkylbicyclohexyl (high boiling), and 2-n-alkylbiphenyls (low boiling) series through c sub 16, in addition to three branched-chain (isopropyl, sec-butyl, and isobutyl) 2-alkylbiphenyls and their corresponding 2-alkylbicyclohexyls. The physical properties of the low-boiling and high-boiling isomers of 2-sec-butylbicyclohexyl and 2-isobutylbicyclohexyl are reported herein for the first time.

Goodman, Irving A↗

Uncatalysed and catalysed soot combustion under NO{sub x} + O{sub 2}: Real diesel versus model soots

In this work, the uncatalysed and catalysed combustion of two commercial carbon blacks and three diesel soot samples were analysed and related to the physico-chemical properties of these carbon materials. Model soot samples are less reactive than real soot samples, which can be attributed, mainly, to a lower proportion in heteroatoms and a higher graphitic order for the case of one of the carbon blacks. Among the diesel soot samples tested, the most relevant differences are the volatile matter/fixed carbon contents, which are directly related to the engine operating conditions (idle or loaded) and to the use of an oxidation catalyst or not in the exhaust. The soot collected after an oxidation catalyst (A-soot) is more reactive than the counterpart virgin soot obtained under the same engine operating modes but before the oxidation catalyst. The reactivity of the different soot samples follows the same trend under uncatalysed and catalysed combustion, the combustion profiles being always shifted towards lower temperatures for the catalysed reactions. The differences between the soot samples become less relevant in the presence of a catalyst. The ceria-zirconia catalysts tested are very effective not only to oxidise soot but also to combust the soluble organic fraction emitted at low temperatures. The most reactive soot (A-soot) exhibits a T{sub 50%} parameter of 450 C when using the most active catalyst. (author)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Particle cloud mixing in microgravity

Quasi-steady flame propagation through clouds of combustible particles requires quasi-steady transport properties and quasi-steady particle number density. Microgravity conditions may be employed to help achieve the conditions of quiescent, uniform clouds needed for such combustion studies. Joint experimental and theoretical NASA-UCSD studies were concerned with the use of acoustic, electrostatic, and other methods of dispersion of fuel particulates. Results of these studies are presented for particle clouds in long cylindrical tubes.

Ross, H.↗

Heat Flux Analysis of a Reacting Thermite Spray Impingent on a Substrate

Spray combustion from a thermite reaction is a new area of research relevant to localized energy generation applications, such as welding or cutting. In this study, we characterized the heat flux of combustion spray impinging on a target from a nozzle for three thermite mixtures. The reactions studied include aluminum (Al) with iron oxide (Fe2O3), Al with copper oxide (CuO), and Al with molybdenum oxide (MoO3). Several standoff distances (i.e., distance from the nozzle exit to the target) were analyzed. A fast response heat flux sensor was engineered for this purpose and is discussed in detail. Results correlated substrate damage to a threshold heat flux of 4550 W/cm2 for a fixed-nozzle configuration. Also, higher gas-generating thermites were shown to produce a widely dispersed spray and be less effective at imparting kinetic energy damage to a target. These results provide an understanding of the role of thermal and physical properties (i.e., such as heat of combustion, gas generation, and particle size) on thermite spray combustion performance measured by damaging a target substrate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Theoretical Screening of Mixed Solid Sorbent for Applications to CO{sub 2} Capture Technology

Since current technologies for capturing CO{sub 2} to fight global climate change are still too energy intensive, there is a critical need for development of new materials that can capture CO{sub 2} reversibly with acceptable energy costs. Accordingly, solid sorbents have been proposed to be used for CO{sub 2} capture applications through a reversible chemical transformation. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO{sub 2} sorbent candidates from the vast array of possible solid materials has been proposed and validated. The calculated thermodynamic properties of different classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO{sub 2} adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO{sub 2} capture reactions by the solids of interest, we were able to screen only those solid materials for which lower capture energy costs are expected at the desired pressure and temperature conditions. Only those selected CO{sub 2} sorbent candidates were further considered for experimental validations. The ab initio thermodynamic technique has the advantage of identifying thermodynamic properties of CO{sub 2} capture reactions without any experimental input beyond crystallographic structural information of the solid phases involved. Such methodology not only can be used to search for good candidates from existing database of solid materials, but also can provide some guidelines for synthesis new materials. In this presentation, we apply our screening methodology to mixing solid systems to adjust the turnover temperature to help on developing CO{sub 2} capture Technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Co-Optimization of Fuels & Engines: Fuel Blendstocks with the Potential to Optimize Future Gasoline Engine Performance; Identification of Five Chemical Families for Detailed Evaluation

The U.S. Department of Energy's (DOE's) Co-Optimization of Fuels & Engines (Co-Optima) initiative is conducting the early-stage research needed to accelerate the market introduction of advanced fuel and engine technologies. The research includes both spark-ignition (SI) and compression-ignition (CI) combustion approaches, targeting applications that impact the entire on-road fleet (light-, medium-, and heavy-duty vehicles). The initiative's major goals include significant improvements in vehicle fuel economy, lower-cost pathways to reduce emissions, and leveraging diverse U.S. fuel resources. A key objective of Co-Optima's research is to identify new blendstocks that enhance current petroleum blending components, increase blendstock diversity, and provide refiners with increased flexibility to blend fuels with the key properties required to optimize advanced internal combustion engines. This report identifies eight representative blendstocks from five chemical families that have demonstrated the potential to increase boosted SI engine efficiency, meet key fuel quality requirements, and be viable for production at commercial scale by 2025-2030.

33 ADVANCED PROPULSION SYSTEMS↗

Synthesis and electromagnetic properties of BaFe{sub 11.92}(LaNd){sub 0.04}O{sub 19}/titanium dioxide composites

Graphical abstract: Due to combining different functions and characteristics of individual materials, hybrid nanocomposite materials can strengthen their applications. Magnetic-conductive nanocomposites are the promising materials with electromagnetic loss, which have synergetic behavior between magnetic and conductive materials. It is the first time to report the synthesis of BaFe{sub 11.92}(LaNd){sub 0.04}O{sub 19}/titanium dioxide (BF/TD) composites by the gel-precursor self-propagating combustion process. The influence of mass ratio of BF and TD on the electromagnetic properties of BaFe{sub 11.92}(LaNd){sub 0.04}O{sub 19}/titanium dioxide composites was studied. The tgδ{sub μ} and tgδ{sub ε} of BF–TD composites. - Highlights: • It is the first time to report BaFe{sub 11.92}(LaNd){sub 0.04}O{sub 19}/titanium dioxide composites. • The composites are prepared by the gel-precursor self-propagating combustion. • The electromagnetic properties could be adjusted by the mass ratio of BF and TD. • The introduction of TD enhances the dielectric loss and widens the frequency bands. • BF/TD composites will be microwave absorption materials with wide frequency band. - Abstract: Doped BaFe{sub 11.92}(LaNd){sub 0.04}O{sub 19}/titanium dioxide composites have been prepared by the gel-precursor self-propagating combustion process. The characterization of the composites are performed by Fourier transform infrared (FT-IR), X-ray diffraction (XRD), Differential thermal analysis-thermo gravimetry (DTA–TG), scanning electron microscopy (SEM), vibrating sample magnetometer (VSM) and network analyzer. Both XRD and FT-IR indicate that the doped BaFe{sub 11.92}(LaNd){sub 0.04}O{sub 19}/titanium dioxide composites are successfully synthesized and there are some interactions between BaFe{sub 11.92}(LaNd){sub 0.04}O{sub 19} and titanium dioxide. DTA–TG analysis of BaFe{sub 11.92}(LaNd){sub 0.04}O{sub 19}/titanium dioxide composites shows that the composite gel decomposition process mainly includes two stages: the first stage is the crystallized water and the residual moisture evaporation; the second stage is the nitrate and citric acid decomposition reaction. SEM demonstrates that the doped BaFe{sub 11.92}(LaNd){sub 0.04}O{sub 19}/titanium dioxide solid solution has formed. The magnetic parameters indicate that the electromagnetic properties of the composites could be well adjusted by the mass ratio of BaFe{sub 11.92}(LaNd){sub 0.04}O{sub 19} and titanium dioxide. When the mass ratio of BaFe{sub 11.92}(LaNd){sub 0.04}O{sub 19} and titanium dioxide is 4:5, the composites have the best magnetic loss. The composites with the mass ratio 6:5 of BaFe{sub 11.92}(LaNd){sub 0.04}O{sub 19} and titanium dioxide. BaFe{sub 11.92}(LaNd){sub 0.04}O{sub 19} and titanium dioxide possess good dielectric loss. The introduction of titanium dioxide enhances the dielectric loss and widens the frequency bands. The composites will be promising microwave absorption materials with wide frequency band.

36 MATERIALS SCIENCE↗

High Thermal Conductivity NARloy-Z-Diamond Composite Combustion Chamber Liner For Advanced Rocket Engines

Advanced high thermal conductivity materials research conducted at NASA Marshall Space Flight Center (MSFC) with state of the art combustion chamber liner material NARloy-Z showed that its thermal conductivity can be increased significantly by adding diamond particles and sintering it at high temperatures. For instance, NARloy-Z containing 40 vol. percent diamond particles, sintered at 975C to full density by using the Field assisted Sintering Technology (FAST) showed 69 percent higher thermal conductivity than baseline NARloy-Z. Furthermore, NARloy-Z-40vol. percent D is 30 percent lighter than NARloy-Z and hence the density normalized thermal conductivity is 140 percent better. These attributes will improve the performance and life of the advanced rocket engines significantly. By one estimate, increased thermal conductivity will directly translate into increased turbopump power up to 2X and increased chamber pressure for improved thrust and ISP, resulting in an expected 20 percent improvement in engine performance. Follow on research is now being conducted to demonstrate the benefits of this high thermal conductivity NARloy-Z-D composite for combustion chamber liner applications in advanced rocket engines. The work consists of a) Optimizing the chemistry and heat treatment for NARloy-Z-D composite, b) Developing design properties (thermal and mechanical) for the optimized NARloy-Z-D, c) Fabrication of net shape subscale combustion chamber liner, and d) Hot fire testing of the liner for performance. FAST is used for consolidating and sintering NARlo-Z-D. The subscale cylindrical liner with built in channels for coolant flow is also fabricated near net shape using the FAST process. The liner will be assembled into a test rig and hot fire tested in the MSFC test facility to determine performance. This paper describes the development of this novel high thermal conductivity NARloy-Z-D composite material, and the advanced net shape technology to fabricate the combustion chamber liner. Properties of optimized NARloy-Z-D composite material will also be presented.

Bhat, Biliyar N.↗

Atomization of broad specification aircraft fuels

The atomization properties of liquid fuels for the potential use in aircraft gas turbine engines are discussed. The significance of these properties are addressed with respect to the ignition and subsequent combustion behavior of the fuel spray/air mixture. It is shown that the fuel properties which affect the atomization behavior (viscosity, surface tension, and density) are less favorable for the broad specification fuels as compared to with those for conventional fuels.

Skifstad, J. G.↗

The effect of temperature on soot properties in premixed methane flames

The effect of flame temperature on soot properties was studied in premixed methane/oxygen flames burning at a constant mixture composition (C/O = 0.60, {phi} = 2.4) and different cold-gas flow velocities (4 and 5 cm s{sup -1}). Temperature and concentration profiles of stable gases and condensed phases combustion products were measured along the flame axis. It was found that the high flame temperature conditions cause a larger decomposition of methane into hydrogen and C{sub 2}-C{sub 4} hydrocarbons, thereby reducing the formation of benzene and condensed phases including condensed species and soot. Soot properties were studied by UV-Visible absorption spectroscopy, thermogravimetry and H/C elemental analysis. A description of soot nanostructural organization was also performed by means of high-resolution transmission electron microscopy. Different properties and nanostructures were found to develop in the soot, depending on the temperature and on soot aging associated. Soot dehydrogenation occurred to a larger extent in the high flame temperature conditions. As soot dehydrogenates the mass absorption coefficients of soot exhibited an increasing trend along the flame axis. However, mature soot retained a relatively high H/C ratio and low absorption coefficients with respect to other less hydrogenated fuels even in high temperature conditions. This indicates that the aromatization/dehydrogenation of soot in premixed flames is more dependent on the fuel characteristics rather than on the flame temperature. Generally, it was assessed that mature soot produced from diverse hydrocarbon fuels with similar flame temperatures and flame types possess a different chemical composition and structure. To this regard the H/C atomic ratio and mass absorption coefficients appeared to be signatures of soot properties and structural evolution. (author)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Theoretical performance of lithium and fluorine as a rocket propellant

Theoretical performance for liquid lithium and liquid fluorine as a rocket propellant was calculated with assumptions both of equilibrium and frozen composition during expansion. Parameters included were specific impulse, combustion-chamber temperature, nozzle-exit temperature, composition, mean molecular weight, characteristic velocity, coefficient of thrust, and ratio of nozzle-exit area to throat area. For chamber pressure of 300 pounds per square inch absolute and expansion to 1 atmosphere, the maximum equilibrium specific impulse calculated was 335.5 pound-seconds per pound. The effect of ionization on calculated performance was shown to be negligible by comparison of values of various parameters calculated both with and without ionized products of combustion.

FUELS -ROCKETS (INCLUDES FUELS AND OXIDANT)↗

GRCop-42 Development and Hot-fire Testing Using Additive Manufacturing Powder Bed Fusion for Channel-Cooled Combustion Chambers

GRCop-42 is a high conductivity, high-strength dispersion strengthened copper-alloy for use in high heat flux applications such as liquid rocket engine combustion devices. This alloy is part of the family of NASA-developed GRCop, copper-chrome-niobium alloys. GRCop alloys were developed for harsh environments specific to regeneratively-cooled combustion chambers and nozzles with good oxidation resistance. Significant development was completed on the GRCop-84 and GRCop-42 alloys in the extruded wrought form demonstrating feasibility for combustion chambers. NASA has recently developed a process for additive manufacturing, specifically Powder Bed Fusion (PBF) or Selective Laser Melting (SLM), of GRCop-42 to establish parameters, characterize the material, and complete testing of components with complex internal features. This evolution of the GRCop-42 was based on the successful predecessor development work using GRCop-84 with the motivation of establishing a new copper-alloy option for use in NASA, government, and industry programs with SLM. A few advantages have been shown with the GRCop-42 that include higher conductivity and faster build speeds over the GRCop-84, and a simplified powder supply chain. Initial property development has shown that it is possible to produce high density builds with strengths equivalent to wrought GRCop-42 and a conductivity greater than GRCop-84. The GRCop-42 has completed process development and initial properties have been established. Several demonstrator combustion chambers have also been fabricated with the SLM GRCop-42 that include integral channels and closeouts. Additional test units have been fabricated and are completing substantial hot-fire testing to demonstrate performance of the material, process, and design.

Gradl, Paul R.↗

RADIATIVE PROPERTY MEASUREMENTS OF OXY-FUEL FLAMES

As part of the DOE Existing Plants, Emissions and Capture (EPEC) program, oxy-combustion is being investigated as a method to simplify carbon capture and reduce the parasitic energy penalties associated with separating CO2 from a dilute flue gas. Gas-phase radiation heat transfer in boilers becomes significant when shifting from air-firing to oxycombustion, and must be accurately represented in models. Currently, radiative property data are not widely available in the literature for conditions appropriate to this environment. In order to facilitate the development and validation of accurate oxy-combustion models, NETL conducted a series of studies to measure radiation properties of oxy-fuel flames at adiabatic flame temperatures of 1750 - 1950K, and product molar concentrations ranging from 95% CO2 to 100% steam, determined by equilibrium calculations. Transmission coefficients were measured as a function of wavelength using a mid-IR imaging spectrometer and a blackbody radiation source. Additionally, flame temperatures were calculated using data collected within CO2 and H2O absorption bands. Experimental results were compared to two statistical narrowband models and experimental data from literature sources. These comparisons showed good overall agreement, although differences between the models and experimental results were noted, particularly for the R branch of the 2.7 μm H2O band.

54 ENVIRONMENTAL SCIENCES↗

Active Thermochemical Tables: the thermophysical and thermochemical properties of methyl, CH 3 , and methylene, CH 2 , corrected for nonrigid rotor and anharmonic oscillator effects

The thermophysical properties (isobaric heat capacity, entropy, enthalpy increment) of two prominent radicals, methyl, CH 3 , and methylene, CH 2 , were computed using the Nonrigid Rotor Anharmonic Oscillator (NRRAO) approach and compared to their RRHO counterparts, demonstrating significant differences between the results from the two approaches. Methylene presents a typical case in which the NRRAO thermophysical properties have significantly higher values than their RRHO counterparts at higher temperatures. In the case of methyl, the positive anharmonicity of the umbrella motion causes an opposite effect, and the NRRAO corrected thermophysical properties have lower values than their RRHO counterparts. The NRRAO corrected thermophysical properties, in turn, affect the resulting thermochemical properties. Here, two reactions important in combustion modelling were tested: the recombination of methyl radical with hydrogen atoms to form methane, and the recombination of two methyl radicals to form ethane. The related NRRAO equilibrium constants differ significantly from their RRHO analogs, and the consequences for chemical modelling are discussed. Also reported are the most current ATcT enthalpies of formation for CH n (n = 4-0) species and for C 2 H 6 , together with the tightly related sequential bond dissociation enthalpies along with the CHn series.

74 ATOMIC AND MOLECULAR PHYSICS↗

Effect of Barium on Morphological Transition and Magnetic and Dielectric Properties in Ferrite Nanoparticles

Barium ferrite (BaFe{sub 2}O{sub 4}) nanoparticles were synthesized by auto combustion method under different weight percentages of barium. The role of barium in the behavior of spinel ferrite property is identified from this study. XRD exhibits prominent orientation of (212) for BaFe{sub 2}O{sub 4} has confirmed especially in 20 and 30 wt% of barium. The addition of barium metal induced the specific vibration in FTIR spectra and such changes coincide well with the particle size. Further, the EDX spectrum reflects the atomic percentage of elemental presence in the samples of barium ferrite. Addition of barium on ferrite nanoparticles reduces the intensity of fluorescence. The morphological changes occurred due to increasing doping concentration of barium and is visualized from the FESEM and TEM images. The formation of different morphologies such as spherical, hexagonal platelets and small rectangular bar shape are observed only due to inclusion of barium at surfactant medium. The magnetic properties of the barium ferrite samples are studied by VSM. It reveals that 35.11 emu/g saturation magnetization (M{sub s}) with 3775.08 Oe coercivity. The change in values of coercivity (H{sub c}) from 3775.08 to 1572.95 Oe due to the variation of barium levels confirmed that the role of barium induced the hard magnetic behavior. The dielectric study also indicates the significance of barium ferrite in the variation of dielectric constant.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A Stereo Imaging Velocimetry Technique for Analyzing Structure of Flame Balls at Low Lewis-Number (SOFBALL) Data

Stereo Imaging Velocimetry (SIV) is a NASA Glenn Research Center (GRC) developed fluid physics technique for measuring threedimensional (3-D) velocities in any optically transparent fluid that can be seeded with tracer particles. SIV provides a means to measure 3-D fluid velocities quantitatively and qualitatively at many points. This technique provides full-field 3-D analysis of any optically clear fluid or gas experiment using standard off-the-shelf CCD cameras to provide accurate and reproducible 3-D velocity profiles for experiments that require 3-D analysis. A flame ball is a steady flame in a premixed combustible atmosphere which, due to the transport properties (low Lewis-number) of the mixture, does not propagate but is instead supplied by diffusive transport of the reactants, forming a premixed flame. This flame geometry presents a unique environment for testing combustion theory. We present our analysis of flame ball phenomena utilizing SIV technology in order to accurately calculate the 3-D position of a flame ball(s) during an experiment, which can be used as a direct comparison of numerical simulations.

McDowell, Mark↗