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At least 811 records · Page 45

Probing the Chemical Kinetics of Minimalist Functional Group Gasoline Surrogates

We report surrogate mixtures are routinely used for understanding gasoline fuel combustion in engine simulations. The general trend in surrogate formulation has been to increase the number of fuel components in a mixture to better emulate real fuel properties. Recently, a new surrogate design strategy based on functional group analysis of real gasolines was proposed using a minimal number of species [minimalist functional group (MFG)-approach]. MFG surrogates (having just one or two components) could experimentally capture the ignition delay time (IDT), threshold sooting index, and smoke point of different gasoline fuels with hundreds of components. However, other combustion characteristics were not explored, and kinetic modeling of MFG surrogates was not reported. These aspects are addressed in this paper, where the combustion behavior of MFG surrogates for various gasolines was assessed by simulating IDT, jet-stirred reactor oxidation, and premixed laminar flame speeds using chemical kinetic modeling. MFG simulations were compared with experimental data of the real gasolines as well as with the more complex multicomponent (five to nine species) surrogates. This study reveals that binary MFG surrogate mixtures are capable of accurately simulating the combustion behavior of more complex gasoline fuels with hundreds of components.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Laboratory Studies of Cloud Particle Formation, Mixing State, and Physiochemical and Optical Properties of Carbonaceous Aerosols

Aerosol particles affect climate through direct and indirect interactions. In direct interactions, non-absorbing particles such as sulfate aerosols, backscatter solar radiation to space, leading to atmospheric cooling. By contrast, particles containing absorbing material such as refractory black carbon (rBC) produced during incomplete fuel combustion and to some extent also brown carbon components of biomass burning organic aerosol (BBOA) and secondary organic aerosol (SOA), absorb incoming solar radiation leading to atmospheric warming. Indirect effects include the ability of aerosol particles to alter the formation and properties of liquid water clouds (acting as cloud condensation nuclei or CCN) and ice clouds (acting as ice nuclei or IN), thereby affecting cloud albedo, coverage and lifetimes. The largest uncertainty in the modeling of climate impacts due to radiative forcing is caused by inadequate representation of aerosol-cloud interactions. The total radiative forcing on climate due to aerosol particles may be as large as that of the greenhouse gases, but predominantly opposite in sign (in the direction of cooling) and much more uncertain. All the direct and indirect radiative forcing effects may be influenced by the chemical composition of the particles.

54 ENVIRONMENTAL SCIENCES↗

Variation in band gap of lanthanum chromate by transition metals doping LaCr{sub 0.9}A{sub 0.1}O{sub 3} (A:Fe/Co/Ni)

Transition metal (Fe, Co, Ni) doped lanthanum chromate (LaCrO{sub 3}) nanoparticles (NPs) were prepared by gel combustion method and calcinated at 800°C. Microstructural studies were carried by XRD and SEM/EDS 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 and photoluminescence techniques. The energy band gap was calculated and the variation was observed with the doping of transition metal ions. Photoluminescence spectra show the emission peak maxima for the pure LaCrO{sub 3} at about 315 nm. Influence of Fe, Co, Ni doping was studied and compared with pure lanthanum chromate nanoparticles.

36 MATERIALS SCIENCE↗

Structure, Morphology, Cation Distribution and Magnetic Properties of Cr{sup 3+}-Substituted CoFe{sub 2}O{sub 4} Nanoparticles

The present investigations deal with the effect of trivalent chromium ions (Cr{sup 3+}) on structural and magnetic properties of nanocrystalline cobalt ferrite (CoFe{sub 2}O{sub 4}) nanoparticles. The samples of CoCr{sub x}Fe{sub 2−x}O{sub 4} (where x = 0.0 to 1.0 in step of 0.2) were successfully synthesized by citric acid-assisted sol-gel auto combustion method. Further, the prepared samples were characterized by x-ray diffraction (XRD), scanning electron microscopy (SEM), infrared spectroscopy (IR) and pulsed field hysteresis loop technique for structural, morphological and magnetic properties analysis, respectively. XRD patterns showed the formation of single-phase cubic spinel structure with broad Bragg’s peak for all the samples. The value of lattice parameter was found to be decreased with chromium substitution x. Cation distribution studies revealed that Co{sup 2+} and Fe{sup 3+} occupied both A and B sites, whereas Cr{sup 3+} ions occupied only B site. SEM analysis of the prepared samples confirmed the nanocrystalline nature of the material. The two absorption bands belonging to spinel structure were observed in IR spectra. Saturation magnetization (M{sub S}), remanence magnetization (M{sub r}) and coercivity (H{sub C}) was found to be decreased with increase in chromium substitution x.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Experimental determination of plume properties in full-scale hydrogen-oxygen rockets

An IR emission/absorption technique for determining radial profiles of static temperature and species partial pressure for cylindrically symmetric combustion gases typical of the effluent of turbine engines and liquid-propellant rockets is described. In the technique, the IR plume radiance and absorption is measured using a 1 x 256-element platinum silicide detector array which is filtered to obtain plume emission measurements in the H2O band near 3.0 microns. A minicomputer is employed to control data acquisition and reduction.

Brown, D. G.↗

Effect of gamma irradiation on dielectric properties of manganese zinc nanoferrites

Naocrystalline ferrites Mn{sub 1−x}Zn{sub x}Fe{sub 2}O{sub 4} (x = 0.00, 0.25, 0.50, 0.75 and 1.00) were prepared by combustion method. The samples were characterized by XRD technique. The dielectric measurements were carried out in the frequency range 40 Hz to 100 MHz at room temperature. All the measurements were performed before and after gamma {sup 60}Co irradiation. The X-ray diffraction patterns revealed the formation of nanocrystalline and single-phase spinel structure. The lattice parameter decrease with zinc ion concentration and increased after the irradiation due to ferric ions of smaller radius converted to ferrous ions of larger radius. The dielectric behavior is attributed to the Maxwell-Wagner type interfacial polarization. The dielctric contant, dielectric loss and AC conductivity enhanced after the irradiation.

36 MATERIALS SCIENCE↗

Thermophysics Characterization of Kerosene Combustion

A one-formula surrogate fuel formulation and its quasi-global combustion kinetics model are developed to support the design of injectors and thrust chambers of kerosene-fueled rocket engines. This surrogate fuel model depicts a fuel blend that properly represents the general physical and chemical properties of kerosene. The accompanying gaseous-phase thermodynamics of the surrogate fuel is anchored with the heat of formation of kerosene and verified by comparing a series of one-dimensional rocket thrust chamber calculations. The quasi-global combustion kinetics model consists of several global steps for parent fuel decomposition, soot formation, and soot oxidation, and a detailed wet-CO mechanism. The final thermophysics formulations are incorporated with a computational fluid dynamics model for prediction of the combustor efficiency of an uni-element, tri-propellant combustor and the radiation of a kerosene-fueled thruster plume. The model predictions agreed reasonably well with those of the tests.

Wang, Ten-See↗

Thermophysics Characterization of Kerosene Combustion

A one-formula surrogate fuel formulation and its quasi-global combustion kinetics model are developed to support the design of injectors and thrust chambers of kerosene-fueled rocket engines. This surrogate fuel model depicts a fuel blend that properly represents the general physical and chemical properties of kerosene. The accompanying gaseous-phase thermodynamics of the surrogate fuel is anchored with the heat of formation of kerosene and verified by comparing a series of one-dimensional rocket thrust chamber calculations. The quasi-global combustion kinetics model consists of several global steps for parent fuel decomposition, soot formation, and soot oxidation and a detailed wet-CO mechanism to complete the combustion process. The final thermophysics formulations are incorporated with a computational fluid dynamics model for prediction of the combustion efficiency of an unielement, tripropellant combustor and the radiation of a kerosene-fueled thruster plume. The model predictions agreed reasonably well with those of the tests.

Wang, Ten-See↗

Dielectric properties of novel composites prepared with few layered graphene (FLG)-lithium triniobate (LiNb{sub 3}O{sub 8})

Lithium triniobate (LiNb{sub 3}O{sub 8}) has been prepared using microwave assisted combustion synthesis at a low temperature of 400 °C. Graphite oxide is synthesized using Hummers method and thereafter it is thermally exfoliated at 500 and 700 °C to obtain two samples of Few Layered Graphene (FLG). Then, FLG-LiNb{sub 3}O{sub 8} composites prepared through a simple ultra-sonication assisted solution mixing process. The obtained samples are named as FLN5 and FLN7 based on the temperature used to obtain FLG. Low frequency dielectric measurements are recorded for both the samples and the measured dielectric constant is observed to be more for FLN5 (250 at 60 Hz) than FLN7 (115 at 60 Hz) whilst the dielectric loss is less in case of FLN5 (1.525 at 60 Hz). The enhancement in dielectric properties for FLN5 is explained in terms of polarization in FLG-LiNb{sub 3}O{sub 8} composites.

36 MATERIALS SCIENCE↗

Improving bamboo’s fuel and storage properties with a net energy export through torrefaction paired with catalytic oxidation

Using torrefied char, or biocoal, as solid fuel provides an opportunity to introduce a sustainable feedstock into the energy market. The goals of this study were to investigate how torrefaction improves the energy content and the grindability of a Malaysian bamboo along with understanding the potential for integrated energy recovery from torrefaction gases. The feedstock was torrefied at 250–290 °C for 1 h and the combustion characteristics and grindability of the solid products along with the composition of torrefied gas species were measured. The results showed a beneficial increase in elemental carbon increased from 47 to 63 wt% at 290 °C torrefaction, reflecting an increase in higher heating value from 17.8 to 25.6 MJ/kg. The combustion behavior of all the products appeared to show three distinct combustion zones; however, torrefaction severity leading to higher combustion temperature and time as the fixed carbon augmented with the increase of torrefaction temperature. This increase in severity also lead to more friable and grindable material, and the 290 °C condition required a factor of 2.7 less hold-up time in the mill compared to the raw bamboo, and a factor of 8.5 less energy (938 and 111 kWh/tonne respectively). Through analysis of the gas and volatile formation, a case study showed that catalytic oxidation can convert nearly 100% of the embodied chemical energy into usable thermal energy. These experimental findings were scaled to a 100,000 tonne/y capacity torrefaction plant and in the moderate case of 270 °C operating temperature, the plant has 1.25 GJ/tonne excess energy beyond what the process needs.

09 BIOMASS FUELS↗

Amorphous ZnAlSnO thin-film transistors by a combustion solution process for future displays

A combustion solution method was developed to fabricate amorphous ZnAlSnO (a-ZATO) for thin-film transistors (TFTs). The properties of a-ZATO films and behaviors of a-ZATO TFTs were studied in detail. An appropriate Al content in the matrix could suppress the formation of oxygen vacancies efficiently and achieve densely amorphous films. The a-ZATO TFTs exhibited acceptable performances, with an on/off current ratio of ∼10{sup 6}, field-effect mobility of 2.33 cm{sup 2}·V{sup −1}·S{sup −1}, threshold voltage of 2.39 V, and subthreshold swing of 0.52 V/decade at an optimal Al content (0.5). The relation between on- and off-resistance of the ZATO TFT was also within the range expected for fast switching devices. More importantly, the introduced Al with an appropriate content had the ability to evidently enhance the device long-term stability under working bias stress and storage durations. The obtained indium- and gallium-free a-ZATO TFTs are very promising for the next-generation displays.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Analysis of turbulent free jet hydrogen-air diffusion flames with finite chemical reaction rates

The nonequilibrium flow field resulting from the turbulent mixing and combustion of a supersonic axisymmetric hydrogen jet in a supersonic parallel coflowing air stream is analyzed. Effective turbulent transport properties are determined using the (K-epsilon) model. The finite-rate chemistry model considers eight reactions between six chemical species, H, O, H2O, OH, O2, and H2. The governing set of nonlinear partial differential equations is solved by an implicit finite-difference procedure. Radial distributions are obtained at two downstream locations of variables such as turbulent kinetic energy, turbulent dissipation rate, turbulent scale length, and viscosity. The results show that these variables attain peak values at the axis of symmetry. Computed distributions of velocity, temperature, and mass fraction are also given. A direct analytical approach to account for the effect of species concentration fluctuations on the mean production rate of species (the phenomenon of unmixedness) is also presented. However, the use of the method does not seem justified in view of the excessive computer time required to solve the resulting system of equations.

Sislian, J. P.↗

Changes in marsh soils for six months after a fire

An examination is conducted of changes in soil-nutrient levels in marsh systems after a fire, in conjunction with studies of particulates and gases generated by such biomass combustion. Attention is given to data covering six months after the fire. It is noted that changes in soil property occur at different times after the fire, and persist for different intervals; this implies a need for long-term postfire observations. The marshes studied were representative of a variety of graminoid wetlands in the southeastern U.S. which periodically burn either naturally or upon prescription. Nitrogen transformations in flooded soils differ from those in well-drained ones.

Schmalzer, Paul A.↗

Thick thermal barrier coatings for diesel engines

Caterpillar's approach to applying Thick Thermal Barrier Coatings (TTBC's) to diesel engine combustion chambers has been to use advanced modeling techniques to predict engine conditions and combine this information with fundamental property evaluation of TTBC systems to predict engine performance and TTBC stress states. Engine testing has been used to verify the predicted performance of the TTBC systems and provide information on failure mechanisms. The objective of Caterpillar's subcontract with ORNL is to advance the fundamental understanding of thick thermal barrier coating systems. Previous reviews of thermal barrier coating technology concluded that the current level of understanding of coating system behavior is inadequate and the lack of fundamental understanding may impede the application of TTBC's to diesel engines. Areas of TTBC technology being examined in this program include powder characteristics and chemistry; bond coat composition; coating design, microstructure, and thickness as they affect properties, durability, and reliability; and TTBC 'aging' effects (microstructural and property changes) under diesel engine operating conditions. Methods to evaluate the reliability and durability of TTBC's have been developed that attempt to understand the fundamental strength of TTBC's for particular stress states.

Beardsley, M. B.↗

Thick thermal barrier coatings for diesel engines

Caterpillar's approach to applying thick thermal barrier coatings (TTBC's) to diesel engine combustion chambers has been to use advanced modeling techniques to predict engine conditions and combine this information with fundamental property evaluation of TTBC systems to predict engine performance and TTBC stress states. Engine testing has been used to verify the predicted performance of the TTBC systems and provide information on failure mechanisms. The objective Caterpillar's program to date has been to advance the fundamental understanding of thick thermal barrier coating systems. Previous reviews of thermal barrier coating technology concluded that the current level of understanding of coating system behavior is inadequate and the lack of fundamental understanding may impeded the application of TTBC's to diesel engines. Areas of TTBC technology being examined in this program include powder characteristics and chemistry; bond coat composition; coating design, microstructure, and thickness as they affect properties, durability, and reliability; and TTBC 'aging' effects (microstructural and property changes) under diesel engine operating conditions. Methods to evaluate the reliability and durability of TTBC's have been developed that attempt to understand the fundamental strength of TTBC's for particular stress states.

Beardsley, M. Brad↗

The Effect of Gravity on the Combustion Synthesis of Porous Ceramics and Metal Matrix Composites

Combustion synthesis (self propagating, high temperature synthesis-SHS) is a novel technique that is capable of producing many advanced materials. The ignition temperature (Tig) of such combustion synthesis reactions is often coincident with that of the lowest melting point reactant. The resultant liquid metal wets and spreads around the other solid reactant particles of higher melting points, thereby improving the reactant contact and kinetics, followed by formation of the required compounds. This ignition initiates a combustion propagating wave whose narrow reaction front rapidly travels through the reactants. Since this process is highly exothermic, the heat released by combustion often melts the reactant particles ahead of the combustion front and ignites the adjacent reactant layer, resulting in a self-sustaining reaction. Whenever a fluid phase (liquid or gas) is generated by the reaction system, gravity-driven phenomena can occur. Such phenomena include convective flows of fluid by conventional or unstable convection and settling of the higher density phases. A combustion process is often associated with various kinds of fluid flow. For instance, if the SHS reaction is carried out under inert or reactive gas atmospheres, or a volatile, e.g., B2O3, is deliberately introduced as a reactant, convective flows of the gas will occur due to a temperature gradient existing in the atmosphere when a combustion wave is initiated. The increased gas flow will produce a porous (or expanded) SHS product. Owing to the highly exothermic nature of many SHS reactions, liquid phase(s) can also form before, at, or after the combustion front. The huge temperature gradient at the combustion front can induce convective flows (conventional or unstable) of the liquid phase. Each of these types of convective fluid flow can change the combustion behavior of the synthesizing reaction, and, therefore, the resultant product microstructure. In addition, when two or more phases of different density are produced at or ahead of the propagating combustion front settling of the higher density phase will occur resulting in a non-uniform product microstructure and properties.

Moore, J. J.↗

Nanomechanical Characterization of Additive Manufactured GRCop-42 Alloy Developed by Directed Energy Deposition Methods

Propulsion applications such as combustion chambers and nozzles for liquid rocket engines require the use of unique materials with superior mechanical and thermal properties. GRCop-42(Cu-4 wt.% Cr-2 wt.% Nb) is one such candidate material developed by NASA and is now being manufactured using additive manufacturing (AM) techniques. AM offers a unique processing environment different from traditional metal fabrication processes. This study characterized the mechanical and structural properties of as-deposited and heat-treated GRCop-42manufactured with Blown Powder Directed Energy Deposition (BPD)based on preliminary testing. The materials were characterized using several techniques including surface profiling by laser microscopy, mechanical stiffness by instrumented indentation, crystal structure, residual stress measurements using XRD and residual XRD, and chemical composition and microstructural evaluation using SEM with EBSD. The results of the study are compared using the BPD techniques for samples in the as-deposited and heat-treated conditions.

GRCop-42↗

Additive Manufacturing for Rocket Propulsion Applications

Metal Additive manufacturing (AM) is changing how components are being fabricated for current and next generation spaceflights. AM provides many advantages including cost and schedule reduction, enhanced complexity for light-weighting, consolidation of parts, and improved performance using novel alloys and improved designs. This presentation will highlight some of the use cases of AM in rocket propulsion applications, the various processes and attributes for proper selection, and the integrated lifecycle for proper AM use. As AM evolves, there is a need to better understand these lifecycle design constraints such as geometry, microstructure and resulting properties, and surface texture for proper implementation. Ongoing research is being conducted on integral channel heat exchangers, such as combustion chambers and nozzles, using some of the AM processes. The presentation will conclude with a focus on this AM heat exchanger research and how it may be applied for future spaceflight.

Additive Manufacturing↗