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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Ab Initio Computations and Active Thermochemical Tables Hand in Hand: Heats of Formation of Core Combustion Species

Here, the fidelity of combustion simulations is strongly dependent on the accuracy of the underlying thermochemical properties for the core combustion species that arise as intermediates and products in the chemical conversion of most fuels. High level theoretical evaluations are coupled with a wide-ranging implementation of the Active Thermochemical Tables (ATcT) approach to obtain well-validated high fidelity predictions for the 0 K heat of formation for a large set of core combustion species. In particular, high level ab initio electronic structure based predictions are obtained for a set of 348 C, N, O, and H containing species, which corresponds to essentially all core combustion species with 34 or fewer electrons. The theoretical analyses incorporate various high level corrections to base CCSD(T)/cc-pVnZ analyses (n = T or Q) using H 2 , CH 4 , H 2 O, and NH 3 as references. Corrections for the complete-basis-set limit, higher-order excitations, anharmonic zeropoint energy, core–valence, relativistic, and diagonal Born–Oppenheimer effects are ordered in decreasing importance. Independent ATcT values are presented for a subset of 150 species. The accuracy of the theoretical predictions is explored through (i) examination of the magnitude of the various corrections, (ii) comparisons with other high level calculations, and (iii) through comparison with the ATcT values. The estimated 2σ uncertainties of the three methods devised here, ANL0, ANL0-F12, and ANL1, are in the range of ±1.0–1.5 kJ/mol for single-reference and moderately multireference species, for which the calculated higher order excitations are 5 kJ/mol or less. In addition to providing valuable references for combustion simulations, the subsequent inclusion of the current theoretical results into the ATcT thermochemical network is expected to significantly improve the thermochemical knowledge base for less-well studied species.

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

DOE/DOT Crude Oil Characterization Research Study, Task 2 Test Report on Evaluating Crude Oil Sampling and Analysis Methods

The Crude Oil Characterization Research Study is designed to evaluate whether crude oils currently transported in North America, including those produced from "tight" formations, exhibit physical or chemical properties that are distinct from conventional crudes, and how these properties associate with combustion hazards with may be realized during transportation and handling.

02 PETROLEUM↗
NASA NTRS1974

Advanced acoustic cavity technology

A series of rocket motor firings was performed in a modified linear aerospike thrust chamber with the H2/O2 propellant combination to allow determination of the physical properties of the combustion gases in acoustic cavities located in the chamber side walls. A preliminary analytical study was first conducted to define theoretically both the appropriate cavity dimensions and the combustion gas flow field adjacent to the cavity openings. During the subsequent motor firings, cavity gas temperature profiles were measured and gas samples were withdrawn from the bottom of the cavities for compositional analysis by measurement of pressure/temperature variation and gas chromatography. Data were obtained with both radially and axially oriented cavities and with and without hydrogen bleed flow through the cavities. A simplified procedure was developed for predicting gas cavity and acoustic velocity for use in acoustic cavity design analyses.

Hines, W. S.↗
NASA NTRS1977

Computational models for the analysis of three-dimensional internal and exhaust plume flowfields

This paper describes computational procedures developed for the analysis of three-dimensional supersonic ducted flows and multinozzle exhaust plume flowfields. The models/codes embodying these procedures cater to a broad spectrum of geometric situations via the use of multiple reference plane grid networks in several coordinate systems. Shock capturing techniques are employed to trace the propagation and interaction of multiple shock surfaces while the plume interface, separating the exhaust and external flows, and the plume external shock are discretely analyzed. The computational grid within the reference planes follows the trace of streamlines to facilitate the incorporation of finite-rate chemistry and viscous computational capabilities. Exhaust gas properties consist of combustion products in chemical equilibrium. The computational accuracy of the models/codes is assessed via comparisons with exact solutions, results of other codes and experimental data. Results are presented for the flows in two-dimensional convergent and divergent ducts, expansive and compressive corner flows, flow in a rectangular nozzle and the plume flowfields for exhausts issuing out of single and multiple rectangular nozzles.

Dash, S. M.↗
NASA NTRS1978

Analysis of three-dimensional ducted and exhaust plume flowfields

Computational procedures are described for analyzing three-dimensional supersonic internal flows and multinozzle exhaust plume flowfields. The computer codes (BIGMAC and CHAR3D) embodying these procedures cater to a broad spectrum of geometric situations via the use of multiple reference plane grid networks in several coordinate systems. Shock capturing techniques are employed to trace the propagation and interaction of multiple shock surfaces. Gas properties consist of combustion products in chemical equilibrium. The computational accuracy of the codes is assessed via comparisons with the results of other codes and experimental data. Results are presented for the flows in two-dimensional ducts, corner flows, flow in a rectangular nozzle, and the plume flowfields for exhausts issuing out of single and multiple rectangular nozzles.

Dash, S. M.↗
NASA NTRS2002

Spray and High-Pressure Flow Computations in the National Combustion Code (NCC) Improved

Sprays occur in a wide variety of industrial and power applications and in materials processing. A liquid spray is a two-phase flow with a gas as the continuous phase and a liquid as the dispersed phase in the form of droplets or ligaments. The interactions between the two phases--which are coupled through exchanges of mass, momentum, and energy--can occur in different ways at disparate time and length scales involving various thermal, mass, and fluid dynamic factors. An understanding of the flow, combustion, and thermal properties of a rapidly vaporizing spray requires careful modeling of the ratecontrolling processes associated with turbulent transport, mixing, chemical kinetics, evaporation, and spreading rates of the spray, among many other factors. With the aim of developing an efficient solution procedure for use in multidimensional combustor modeling, researchers at the NASA Glenn Research Center have advanced the state-of-the-art in spray computations in several important ways.

Raju, Manthena S.↗
DOE OSTI2018

Influence of propylene glycol/nitrates ratio on microwave-assisted combustion synthesis of CuO-ZnO-Al2O3 nanocatalyst: Structural and catalytic properties toward hydrogen production from methanol

Highlights: • Applicability of propylene glycol in synthesis of CuO/ZnO/Al{sub 2}O{sub 3} via combustion method. • Addressing the influence of fuel to nitrates ratio on catalytic properties and performance. • Synthesis of stable and active CuO/ZnO/Al{sub 2}O{sub 3} nanocatalyst in methanol to hydrogen. • Achievement of complete conversion at 260 °C by choosing appropriate amount of fuel. • Decrease of CO production by applying suitable fuel/nitrates ratio. - Abstract: A series of CuO-ZnO-Al{sub 2}O{sub 3} nanocatalysts were fabricated by microwave-assisted combustion method to investigate the role of propylene glycol/nitrates ratio. XRD, FESEM, FTIR, EDX, BET and TG techniques were applied to study the physicochemical properties of prepared nanocatalysts. It was found that increasing of fuel/nitrates ratio decreased the specific surface area due to incomplete combustion reaction. TG and FTIR results proved that some combustion residuals such as nitrate species and propylene glycol remained in fabricated samples and their amount increased by increasing of fuel/nitrates ratio. Also, higher dispersion of CuO crystallites as the major active sites of steam methanol reforming achieved by CZA(PG/N = 1). So, it reached the complete conversion of methanol at lower temperature compared to the other samples. The synthesized sample with propylene glycol to nitrates ratio of 1 showed high stability during 1200 min. Moreover, the deactivation study was performed on best and worst synthesized nanocatalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Stability, Combustion, and Compatibility of High-Viscosity Heavy Fuel Oil Blends with a Fast Pyrolysis Bio-Oil

Properties related to the combustion, stability, and compatibility of blends composed of high-viscosity heavy fuel oil (HFO) and highly acidic pyrolysis bio-oil were determined to assess the utility of bio-oil as a marine fuel. The addition of bio-oil was shown to be fully stable with HFO at blend levels up to 50 mass % for up to 2 weeks. Bio-oil concentrations as low as 5 mass % significantly reduced the viscosity of HFO at 25 and 50 °C. Aging studies at 50 and 90 °C showed that the HFO inhibited the polymerization of bio-oil. The heating value and lubricity showed a linear dependency with bio-oil content, and combustion quality was acceptable for blends containing up to 15% bio-oil. The highly acidic bio-oil was found to be corrosive to carbon steel, 2.25Cr-1Mo steel, and 409 stainless steels, but not 304L and 316L. When blended into HFO at levels less than 19 mass %, no measurable corrosion was observed on any of the steel materials, but a 50 mass % concentration produced low-to-moderate corrosion in the carbon steel, 2.25Cr-1Mo steel, and 409 stainless steel grades. The combination of good blend stability, polymerization inhibition, reduced viscosity, and acceptable compatibility for low blend levels suggests that bio-oils may be suitable for use as a marine fuel.

09 BIOMASS FUELS↗
NASA NTRS2010

Advancements in Dual-Pump Broadband CARS for Supersonic Combustion Measurements

Space- and time-resolved measurements of temperature and species mole fractions of nitrogen, oxygen, and hydrogen were obtained with a dual-pump coherent anti-Stokes Raman spectroscopy (CARS) system in hydrogen-fueled supersonic combustion free jet flows. These measurements were taken to provide time-resolved fluid properties of turbulent supersonic combustion for use in the creation and verification of computational fluid dynamic (CFD) models. CFD models of turbulent supersonic combustion flow currently facilitate the design of air-breathing supersonic combustion ramjet (scramjet) engines. Measurements were made in supersonic axi-symmetric free jets of two scales. First, the measurement system was tested in a laboratory environment using a laboratory-scale burner (approx.10 mm at nozzle exit). The flow structures of the laboratory-burner were too small to be resolved with the CARS measurements volume, but the composition and temperature of the jet allowed the performance of the system to be evaluated. Subsequently, the system was tested in a burner that was approximately 6 times larger, whose length scales are better resolved by the CARS measurement volume. During both these measurements, weaknesses of the CARS system, such as sensitivity to vibrations and beam steering and inability to measure temperature or species concentrations in hydrogen fuel injection regions were indentified. Solutions were then implemented in improved CARS systems. One of these improved systems is a dual-pump broadband CARS technique called, Width Increased Dual-pump Enhanced CARS (WIDECARS). The two lowest rotational energy levels of hydrogen detectable by WIDECARS are H2 S(3) and H2 S(4). The detection of these lines gives the system the capability to measure temperature and species concentrations in regions of the flow containing pure hydrogen fuel at room temperature. WIDECARS is also designed for measurements of all the major species (except water) in supersonic combustion flows fueled with hydrogen and hydrogen/ethylene mixtures (N2, O2, H2, C2H4, CO, and CO2). This instrument can characterize supersonic combustion fueled with surrogate fuel mixtures of hydrogen and ethylene. This information can lead to a better understanding of the chemistry and performance of supersonic combustion fueled with cracked jet propulsion (JP)-type fuel.

Tedder, Sarah Augusta Umberger↗
NASA NTRS1980

Fuel character effects on the J79 and F101 engine combustion systems

The effects of select fuel property variations on two major engine classifications are summarized. Thirteen refined and blended fuels were used which exhibited significant variations in hydrogen content, aromatic type, initial boiling point, final boiling point, and viscosity. Trends were very similar but the degree of fuel sensitivity was not constant. For both systems the dominant fuel property during high pressure operation was found to be fuel hydrogen content. For operation at low pressure test points the fuel volatility and viscosity became the dominant fuel properties for both systems. Aromatic type and final boiling point did not significantly affect combustion data. Correlations of other fuel properties with these and other performance parameters are presented.

Jackson, T. A.↗
NASA NTRS1989

Fuel-rich catalytic combustion of Jet-A fuel-equivalence ratios 5.0 to 8.0

Fuel-rich catalytic combustion (E.R. greater than 5.0) is a unique technique for preheating a hydrocarbon fuel to temperatures much higher than those obtained by conventional heat exchangers. In addition to producing very reactive molecules, the process upgrades the structure of the fuel by the formation of hydrogen and smaller hydrocarbons and produces a cleaner burning fuel by removing some of the fuel carbon from the soot formation chain. With fuel-rich catalytic combustion as the first stage of a two stage combustion system, enhanced fuel properties can be utilized by both high speed engines, where time for ignition and complete combustion is limited, and engines where emission of thermal NO sub x is critical. Two-stage combustion (rich-lean) has been shown to be effective for NO sub x reduction in stationary burners where residence times are long enough to burn-up the soot formed in the first stage. Such residence times are not available in aircraft engines. Thus, the soot-free nature of the present process is critical for high speed engines. The successful application of fuel-rich catalytic combustion to Jet-A, a multicomponent fuel used in gas turbine combustors, is discusssed.

Brabbs, Theodore A.↗
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 NTRS1975

Materials selection criteria and data

The properties of materials selected for use in oxygen systems are examined. Specifically, materials are selected according to trade-offs between chemical compatibility, ignition temperature, combustion characteristics, and physical properties. Quantitative energy sources and energy release rates capable of causing material combustion or explosion were also considered.

Source record↗
NASA NTRS2003

Measurement and evaluation of the radiative properties of a thin solid fuel

Accurate modeling of combustion systems requires knowledge of the radiative properties of the system. Gas phase properties are well known, but detailed knowledge of surface properties is limited. Recent work has provided spectrally resolved data for some solid fuels, but only for the unburned material at room temperature, and for limited sets of previously burned and quenched samples. Due to lack of knowledge of the spectrally resolved properties at elevated temperatures, as well as processing limitations in the modeling effort, graybody values are typically used for the fuels surface radiative properties. However, the spectrally resolved properties for the fuels at room temperature can be used to give a first-order correction for temperature effects on the graybody values. Figure 1 shows a sample of the spectrally resolved emittance/absorptance for a thin solid fuel of the type commonly used in combustion studies, from approximately 2 to 20 microns. This plot clearly shows a strong spectral dependence across the entire range. By definition, the emittance is the ratio of the emitted energy to that of a blackbody at the same temperature. Therefore, to determine a graybody emittance for this material, the spectrally resolved data must be applied to a blackbody curve. The total area under the resulting curve is ratioed to the total area under the blackbody curve to yield the answer. Due to the asymmetry of the spectrally resolved emittance and the changing shape of the blackbody curve as the temperature increases, the relative importance of the emittance value at any given wavelength will change as a function of temperature. Therefore, the graybody emittance value for a given material will change as a function of temperature even if the spectral dependence of the radiative properties remains unchanged. This is demonstrated in Figures 2 and 3, which are plots of the spectrally resolved emittance for KimWipes (shown in Figure 1) multiplied by the blackbody curves for 300 K (Figure 2) and 800 K (Figure 3). Each figure also shows the blackbody curve for that temperature. Ratioing the areas under the curve for each of these figures give a graybody emittance of 0.64 at 300 K, and 0.46 at 800 K. It is recognized that materials undergoing pyrolysis will change in composition as they heat up, and that the radiative properties of the materials may have inherent temperature dependence. Both of these effects will contribute to changes in the radiative characteristics of a given material, and are not accounted for here. However, this paper demonstrates the temperature dependence of graybody radiative properties, and provides a method for a first-order correction (for temperature) to the graybody values if the spectrally resolved properties are known.

Pettegrew, Richard↗