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NASA NTRS2008

Simplified Modeling of Oxidation of Hydrocarbons

A method of simplified computational modeling of oxidation of hydrocarbons is undergoing development. This is one of several developments needed to enable accurate computational simulation of turbulent, chemically reacting flows. At present, accurate computational simulation of such flows is difficult or impossible in most cases because (1) the numbers of grid points needed for adequate spatial resolution of turbulent flows in realistically complex geometries are beyond the capabilities of typical supercomputers now in use and (2) the combustion of typical hydrocarbons proceeds through decomposition into hundreds of molecular species interacting through thousands of reactions. Hence, the combination of detailed reaction- rate models with the fundamental flow equations yields flow models that are computationally prohibitive. Hence, further, a reduction of at least an order of magnitude in the dimension of reaction kinetics is one of the prerequisites for feasibility of computational simulation of turbulent, chemically reacting flows. In the present method of simplified modeling, all molecular species involved in the oxidation of hydrocarbons are classified as either light or heavy; heavy molecules are those having 3 or more carbon atoms. The light molecules are not subject to meaningful decomposition, and the heavy molecules are considered to decompose into only 13 specified constituent radicals, a few of which are listed in the table. One constructs a reduced-order model, suitable for use in estimating the release of heat and the evolution of temperature in combustion, from a base comprising the 13 constituent radicals plus a total of 26 other species that include the light molecules and related light free radicals. Then rather than following all possible species through their reaction coordinates, one follows only the reduced set of reaction coordinates of the base. The behavior of the base was examined in test computational simulations of the combustion of heptane in a stirred reactor at various initial pressures ranging from 0.1 to 6 MPa. Most of the simulations were performed for stoichiometric mixtures; some were performed for fuel/oxygen mole ratios of 1/2 and 2.

Bellan, Josette↗
NASA NTRS2008

Photochemically Synthesized Polyimides

An alternative to the conventional approach to synthesis of polyimides involves the use of single monomers that are amenable to photopolymerization. Heretofore, the synthesis of polyimides has involved multiple-monomer formulations and heating to temperatures that often exceed 250 C. The present alternative approach enables synthesis under relatively mild conditions that can include room temperature. The main disadvantages of the conventional approach are the following: Elevated production temperatures can lead to high production costs and can impart thermal stresses to the final products. If the proportions of the multiple monomeric ingredients in a given batch are not exactly correct, the molecular weight and other physical properties of the final material could be reduced from their optimum or desired values. To be useful in the alternative approach, a monomer must have a molecular structure tailored to exploit Diels-Alder trapping of a photochemically generated ortho-quinodimethane. (In a Diels-Alder reaction, a diene combines with a dienophile to form molecules that contain six-membered rings.) In particular, a suitable monomer (see figure) contains ortho-methylbenzophenone connected to a dienophile (in this case, a maleimide) through a generic spacer group. Irradiation with ultraviolet light gives rise to a photochemical intermediate the aforementioned ortho-quinodimethane from the ortho-methylbenzophenone. This group may react with the dienophile on another such monomer molecule to produce an oligomer that, in turn may react in a stepgrowth manner to produce a polyimide. This approach offers several advantages in addition to those mentioned above: The monomer can be stored for a long time because it remains unreactive until exposed to light. Because the monomer is the only active starting ingredient, there is no need for mixing, no concern for ensuring correct proportions of monomers, and the purity of the final product material is inherently high. The use of solvents is optional: The synthesis can be performed using the neat monomer or the monomer mixed with one or more solvent(s) in dilute or concentrated solution. The solubility of the monomer and the physical and chemical properties of the final polymer can be tailored through selection of the spacer group.

Meador, Michael A.↗
NASA NTRS2008

Chemical Passivation of Li(exp +)-Conducting Solid Electrolytes

Plates of a solid electrolyte that exhibits high conductivity for positive lithium ions can now be passivated to prevent them from reacting with metallic lithium. Such passivation could enable the construction and operation of high-performance, long-life lithium-based rechargeable electrochemical cells containing metallic lithium anodes. The advantage of this approach, in comparison with a possible alternative approach utilizing lithium-ion graphitic anodes, is that metallic lithium anodes could afford significantly greater energy-storage densities. A major impediment to the development of such cells has been the fact that the available solid electrolytes having the requisite high Li(exp +)-ion conductivity are too highly chemically reactive with metallic lithium to be useful, while those solid electrolytes that do not react excessively with metallic lithium have conductivities too low to be useful. The present passivation method exploits the best features of both extremes of the solid-electrolyte spectrum. The basic idea is to coat a higher-conductivity, higher-reactivity solid electrolyte with a lower-conductivity, lower-reactivity solid electrolyte. One can then safely deposit metallic lithium in contact with the lower-reactivity solid electrolyte without incurring the undesired chemical reactions. The thickness of the lower-reactivity electrolyte must be great enough to afford the desired passivation but not so great as to contribute excessively to the electrical resistance of the cell. The feasibility of this method was demonstrated in experiments on plates of a commercial high-performance solid Li(exp +)- conducting electrolyte. Lithium phosphorous oxynitride (LiPON) was the solid electrolyte used for passivation. LiPON-coated solid-electrolyte plates were found to support electrochemical plating and stripping of Li metal. The electrical resistance contributed by the LiPON layers were found to be small relative to overall cell impedances.

West, William↗
NASA NTRS2007

Water-Free Proton-Conducting Membranes for Fuel Cells

Poly-4-vinylpyridinebisulfate (P4VPBS) is a polymeric salt that has shown promise as a water-free proton-conducting material (solid electrolyte) suitable for use in membrane/electrode assemblies in fuel cells. Heretofore, proton-conducting membranes in fuel cells have been made from perfluorinated ionomers that cannot conduct protons in the absence of water and, consequently, cannot function at temperatures >100 C. In addition, the stability of perfluorinated ionomers at temperatures >100 C is questionable. However, the performances of fuel cells of the power systems of which they are parts could be improved if operating temperatures could be raised above 140 C. What is needed to make this possible is a solid-electrolyte material, such as P4VPBS, that can be cast into membranes and that both retains proton conductivity and remains stable in the desired higher operating temperature range. A family of solid-electrolyte materials different from P4VPBS was described in Anhydrous Proton-Conducting Membranes for Fuel Cells (NPO-30493), NASA Tech Briefs, Vol. 29, No. 8 (August 2005), page 48. Those materials notably include polymeric quaternized amine salts. If molecules of such a polymeric salt could be endowed with flexible chain structures, it would be possible to overcome the deficiencies of simple organic amine salts that must melt before being able to conduct protons. However, no polymeric quaternized amine salts have yet shown to be useful in this respect. The present solid electrolyte is made by quaternizing the linear polymer poly- 4-vinylpyridine (P4VP) to obtain P4VPBS. It is important to start with P4VP having a molecular weight of 160,000 daltons because P4VPBS made from lower-molecular-weight P4VP yields brittle membranes. In an experimental synthesis, P4VP was dissolved in methanol and then reacted with an excess of sulfuric acid to precipitate P4VPBS. The precipitate was recovered, washed several times with methanol to remove traces of acid, and dried to a white granular solid. In another synthesis, nanoparticles of silica rich with surface hydroxyl groups were added to P4VP in methanol solution, which was then reacted with excess sulfuric acid to precipitate granules of a composite that most probably had the composition (P4VPBS)-SiO2-SiO(HSO4)2. The granular P4VPBS produced in the first-mentioned synthesis was dissolved in water to make a glue-like, turbid solution; the granular P4VPBS/silica composite produced in the second-mentioned synthesis was mixed with water to make a turbid, glue-like suspension. The proportions of polymer salt to water in such preparations can be varied; it was found that approximately equal parts of water and polymer salt yield a solution or suspension amenable to further processing.

Narayanan, Sekharipuram↗
NASA NTRS2009

Methods and apparatus for handling or treating particulate material

An improved draft tube spout fluid bed (DTSFB) mixing, handling, conveying, and treating apparatus and systems, and methods for operating are provided. The apparatus and systems can accept particulate material and pneumatically or hydraulically conveying the material to mix and/or treat the material. In addition to conveying apparatus, a collection and separation apparatus adapted to receive the conveyed particulate material is also provided. The collection apparatus may include an impaction plate against which the conveyed material is directed to improve mixing and/or treatment. The improved apparatus are characterized by means of controlling the operation of the pneumatic or hydraulic transfer to enhance the mixing and/or reacting by controlling the flow of fluids, for example, air, into and out of the apparatus. The disclosed apparatus may be used to mix particulate material, for example, mortar; react fluids with particulate material; coat particulate material, or simply convey particulate material.

Littman, Howard↗
NASA NTRS2007

Rapid Fabrication of Carbide Matrix/Carbon Fiber Composites

Composites of zirconium carbide matrix material reinforced with carbon fibers can be fabricated relatively rapidly in a process that includes a melt infiltration step. Heretofore, these and other ceramic matrix composites have been made in a chemical vapor infiltration (CVI) process that takes months. The finished products of the CVI process are highly porous and cannot withstand temperatures above 3,000 F (approx.1,600 C). In contrast, the melt-infiltration-based process takes only a few days, and the composite products are more nearly fully dense and have withstood temperatures as high as 4,350 F (approx.2,400 C) in a highly oxidizing thrust chamber environment. Moreover, because the melt- infiltration-based process takes much less time, the finished products are expected to cost much less. Fabrication begins with the preparation of a carbon fiber preform that, typically, is of the size and shape of a part to be fabricated. By use of low-temperature ultraviolet-enhanced chemical vapor deposition, the carbon fibers in the preform are coated with one or more interfacial material(s), which could include oxides. The interfacial material helps to protect the fibers against chemical attack during the remainder of the fabrication process and against oxidation during subsequent use; it also enables slippage between the fibers and the matrix material, thereby helping to deflect cracks and distribute loads. Once the fibers have been coated with the interfacial material, the fiber preform is further infiltrated with a controlled amount of additional carbon, which serves as a reactant for the formation of the carbide matrix material. The next step is melt infiltration. The preform is exposed to molten zirconium, which wicks into the preform, drawn by capillary action. The molten metal fills most of the interstices of the preform and reacts with the added carbon to form the zirconium carbide matrix material. The zirconium does not react with the underlying fibers because they are protected by the interfacial material(s). The success of the melt-infiltration step depends on interface material selection and uniform coating of the fibers, infiltration with the correct amount of carbon, and careful control of temperature and rate of heating.

Williams, Brian E.↗
NASA NTRS2007

Robot Would Climb Steep Terrain

This brief describes the steep terrain access robot (STAR) -- a walking robot that has been proposed for exploring steep terrain on remote planets. The STAR would be able to climb up or down on slopes as steep as vertical, and even beyond vertical to overhangs. Its system of walking mechanisms and controls would be to react forces and maintain stability. To enable the STAR to anchor itself in the terrain on steep slopes to maintain stability and react forces, it would be necessary to equip the tips of the walking legs with new ultrasonic/ sonic drill corers (USDCs) and to develop sensors and control algorithms to enable robust utilization of the USDCs.

Kennedy, Brett↗
NASA NTRS2007

Sequestration of Single-Walled Carbon Nanotubes in a Polymer

Sequestration of single-walled carbon nanotubes (SWCNs) in a suitably chosen polymer is under investigation as a means of promoting the dissolution of the nanotubes into epoxies. The purpose of this investigation is to make it possible to utilize SWCNs as the reinforcing fibers in strong, lightweight epoxy-matrix/carbon-fiber composite materials. SWCNs are especially attractive for use as reinforcing fibers because of their stiffness and strength-to-weight ratio: Their Young s modulus has been calculated to be 1.2 TPa, their strength has been calculated to be as much as 100 times that of steel, and their mass density is only one-sixth that of steel. Bare SWCNs cannot be incorporated directly into composite materials of the types envisioned because they are not soluble in epoxies. Heretofore, SWCNS have been rendered soluble by chemically attaching various molecular chains to them, but such chemical attachments compromise their structural integrity. In the method now under investigation, carbon nanotubes are sequestered in molecules of poly(m-phenylenevinylene-co-2,5-dioctyloxy-p-phenylenevinylene) [PmPV]. The strength of the carbon nanotubes is preserved because they are not chemically bonded to the PmPV. This method exploits the tendency of PmPV molecules to wrap themselves around carbon nanotubes: the wrapping occurs partly because there exists a favorable interface between the conjugated face of a nanotube and the conjugated backbone of the polymer and partly because of the helical molecular structure of PmPV. The constituents attached to the polymer backbones (the side chains) render the PmPV-wrapped carbon nanotubes PmPV soluble in organic materials that, in turn, could be used to suspend the carbon nanotubes in epoxy precursors. At present, this method is being optimized: The side chains on the currently available form of PmPV are very nonpolar and unable to react with the epoxy resins and/or hardeners; as a consequence, SWCN/PmPV composites have been observed to precipitate out of epoxies while the epoxies were being cured. If the side chains of the PmPV molecules were functionalized to make them capable of reacting with the epoxy matrices, it might be possible to make progress toward practical applications. By bonding the side chains of the PmPV molecules to an epoxy matrix, one would form an PmPV conduit between the epoxy matrix and the carbon nanotubes sequestered in the PmPV. This conduit would transfer stresses from the epoxy matrix to the nanotubes. This proposed load-transfer mode is similar to that of the current practice in which silane groups are chemically bonded to both the epoxy matrices and the fibers (often glass fibers) in epoxymatrix/fiber composites.

Bley, Richard A.↗
NASA NTRS2010

Numerical Simulation of Vitiation Effects on a Hydrogen-Fueled Dual-Mode Scramjet

The Wind-US computational fluid dynamics (CFD) flow solver was used to simulate dual-mode direct-connect ramjet/scramjet engine flowpath tests conducted in the University of Virginia (UVa) Supersonic Combustion Facility (SCF). The objective was to develop a computational capability within Wind-US to aid current hypersonic research and provide insight to flow as well as chemistry details that are not resolved by instruments available. Computational results are compared with experimental data to validate the accuracy of the numerical modeling. These results include two fuel-off non-reacting and eight fuel-on reacting cases with different equivalence ratios, split between one set with a clean (non-vitiated) air supply and the other set with a vitiated air supply (12 percent H2O vapor). The Peters and Rogg hydrogen-air chemical kinetics model was selected for the scramjet simulations. A limited sensitivity study was done to investigate the choice of turbulence model and inviscid flux scheme and led to the selection of the k-epsilon model and Harten, Lax and van Leer (for contact waves) (HLLC) scheme for general use. Simulation results show reasonably good agreement with experimental data and the overall vitiation effects were captured.

Vyas, Manan A.↗
NASA NTRS2011

Polymerization initated at sidewalls of carbon nanotubes

The present invention is directed to aryl halide (such as aryl bromide) functionalized carbon nanotubes that can be utilized in anionic polymerization processes to form polymer-carbon nanotube materials with improved dispersion ability in polymer matrices. In this process the aryl halide is reacted with an alkyllithium species or is reacted with a metal to replace the aryl-bromine bond with an aryl-lithium or aryl-metal bond, respectively. It has further been discovered that other functionalized carbon nanotubes, after deprotonation with a deprotonation agent, can similarly be utilized in anionic polymerization processes to form polymer-carbon nanotube materials. Additionally or alternatively, a ring opening polymerization process can be performed. The resultant materials can be used by themselves due to their enhanced strength and reinforcement ability when compared to their unbound polymer analogs. Additionally, these materials can also be blended with pre-formed polymers to establish compatibility and enhanced dispersion of nanotubes in otherwise hard to disperse matrices resulting in significantly improved material properties. The resultant polymer-carbon nanotube materials can also be used in drug delivery processes due to their improved dispersion ability and biodegradability, and can also be used for scaffolding to promote cellular growth of tissue.

Tour, James M.↗
NASA NTRS2011

Assessment of Some Atomization Models Used in Spray Calculations

The paper presents the results from a validation study undertaken as a part of the NASA s fundamental aeronautics initiative on high altitude emissions in order to assess the accuracy of several atomization models used in both non-superheat and superheat spray calculations. As a part of this investigation we have undertaken the validation based on four different cases to investigate the spray characteristics of (1) a flashing jet generated by the sudden release of pressurized R134A from cylindrical nozzle, (2) a liquid jet atomizing in a subsonic cross flow, (3) a Parker-Hannifin pressure swirl atomizer, and (4) a single-element Lean Direct Injector (LDI) combustor experiment. These cases were chosen because of their importance in some aerospace applications. The validation is based on some 3D and axisymmetric calculations involving both reacting and non-reacting sprays. In general, the predicted results provide reasonable agreement for both mean droplet sizes (D32) and average droplet velocities but mostly underestimate the droplets sizes in the inner radial region of a cylindrical jet.

Raju, M. S.↗
NASA NTRS2005

Reactive Additives for Phenylethynyl-Containing Resins

Phenylethynyl-containing reactive additive (PERA) compounds and mixtures have been found to be useful for improving the processability of oligomers, polymers, co-oligomers, and copolymers that contain phenylethynyl groups. The additives can be incorporated in different forms: A solution of an amide acid or an imide of a PERA can be added to a solution of phenylethynyl-containing oligomer, polymer, co-oligomer, or copolymer; or An imide powder of a PERA can be mixed with a dry powder of a phenylethynyl-containing oligomer, polymer, co-oligomer, or copolymer. The effect of a given PERA on the processability and other properties of the resin system depends on whether the PERA is used in the amide acid or an imide form. With proper formulation, the PERA reduces the melt viscosity of the resin and thereby reduces the processing pressures needed to form the adhesive bonds, consolidate filled or unfilled moldings, or fabricate fiber-reinforced composite laminates. During thermal cure, a PERA reacts with itself as well as with the phenylethynyl-containing host resin and thereby becomes chemically incorporated into the resin system. The effects of the PERA on mechanical properties, relative to those of the host resin, depend on the amount of PERA used. Typically, the incorporation of the PERA results in (1) increases in the glass-transition temperature (Tg), modulus of elasticity, and parameters that characterize behavior under compression, and (2) greater retention of the aforementioned mechanical properties at elevated temperatures without (3) significant reduction of toughness or damage tolerance. Of the formulations tested thus far, the ones found to yield the best overall results were those for which the host resin was the amide acid form of a phenylethynyl-terminated imide (PETI) co-oligomer having a molecular weight of 5,000 g/mole [hence, designated PETI-5] and a PERA denoted as PERA-1. PETI-5 was made from 3,3',4'4'-biphenyltetracarboxylic dianhydride, 3,4'-oxydianiline (3,4'-ODA), 1,3-bis(3-aminophenoxy) benzene (1,3-APB), and 4-phenylethynylphthalic anhydride (PEPA). PERA-1 was made from 3,5-diamino- 4.-phenylethynylbenzophenon and equimolar amounts of phthalic anhydride and PEPA. To make PERA-1 in the imide form, the aforementioned ingredients were processed by refluxing in glacial acetic acid. To make the amide form of PERA-1, the ingredients were reacted in N-methyl-2-pyrrolidinone (NMP) under nitrogen at a temperature of 23 C (see figure). On the basis of the processability and other properties, a blend comprising 20 weight percent of PERA-1 and 80 weight percent PETI-5 was selected for further evaluation. Relative to neat PETI-5, the blend exhibited an increase in Tg; improved processability; and comparable values of shear strength in adhesion to titanium panels, open-hole compressive properties, compression properties after impact, and resistance to microcracking.

Connell, John W.↗
NASA NTRS2011

2014/2219 Tri-Point Crack Analysis

Friction stir welding (FSW) is a solid state welding process with potential advantages for aerospace and automotive industries dealing with light alloys. Self-reacting friction stir welding (SR-FSW) is one variation of the FSW process being developed at the National Aeronautics and Space Administration (NASA) for use in the fabrication of propellant tanks. Friction plug welding is used to seal the exit hole that remains in a circumferential SR-FSW. The objective of this study was to evaluate the deformation response at the tips of cracks located in the heat affected zone of friction plug welds and to study the fracture behavior of welds with defects in the form of fatigue cracks. The study used existing 2014-T6 to 2219-T87 self-reacting friction stir weld panels with 2219-T87 friction plug welds. Electro-discharge machined (EDM) notches were machined into the heat affected zone of the plug at the plug-to-base metal interface. Samples were then cycled to generate a fatigue crack emanating from the notch. After the fatigue crack reached a pre-defined length, a speckle pattern was applied and the ARAMIS system (a three dimensional imaging correlation system) was used to measure the deformations at the crack tip under a sequence of loads. Testing was conducted at ambient laboratory conditions. Fracture data from the testing was analyzed to evaluate residual strength capability of the panel as a function of flaw size. ARAMIS strain data was evaluated to examine strain and deformation patterns that develop around the crack tip and at the plug/weld interfaces. Four samples were used in this study, with three samples in a post-weld heat treated condition. Three samples contained large diameter plugs (M5) and one sample contained a small diameter plug (M3). Two samples were 4 inches in width and two samples were 8.5 inches in width. All samples failed through the precrack with residual strengths ranging from 37 ksi to 42 ksi.

Horton, Karla Renee↗
NASA NTRS2011

Ion-Ice Astrochemistry: Barrierless Low-Energy Deposition Pathways to HCOOH, CH3OH, and CO2 on Icy Grain Mantles from Precursor Cations

A new family of very favorable reaction pathways is explored involving the deposition of ions on icy grain mantles with very low energies. Quantum chemical cluster calculations at the MP2/6-31+G** level in 4H2O clusters and at the B3LYP/6-31+G** level in 17H2O clusters indicate that HCO+ and CH3 + are able to react spontaneously with one of the water molecules in the cluster to form protonated formic acid (HCOOH2 +) and protonated methanol (CH3OH2 +), respectively. It is furthermore found that these initial adducts spontaneously transfer their excess protons to the cluster to form neutral formic acid and methanol, plus solvated hydronium, H3O+. In the final case, if a CO molecule is bound to the surface of the cluster, OH+ may react with it to form protonated carbon dioxide (HCO2 +), which then loses its proton to yield CO2 and H3O+. In the present model, all of these processes were found to occur with no barriers. Discussion includes the analogous gas phase processes, which have been considered in previous studies, as well as the competitive abstraction pathway for HCO(+) + H2O.

Woon, David E.↗
NASA NTRS2003

NASA Tech Briefs, May 2003

Topics covered include: Using Diffusion Bonding in Making Piezoelectric Actuators; Wireless Temperature-Monitoring System; Analog Binaural Circuits for Detecting and Locating Leaks; Mirrors Containing Biomimetic Shape-Control Actuators; Surface-Micromachined Planar Arrays of Thermopiles; Cascade Back-Propagation Learning in Neural Networks; Perovskite Superlattices as Tunable Microwave Devices; Rollable Thin-Shell Nanolaminate Mirrors; Flight Tests of a Ministick Controller in an F/A-18 Airplane; Piezoelectrically Actuated Shutter for High Vacuum; Bio-Inspired Engineering of Exploration Systems; Microscope Cells Containing Multiple Micromachined Wells; Electrophoretic Deposition for Fabricating Microbatteries; Integrated Arrays of Ion-Sensitive Electrodes; Model of Fluidized Bed Containing Reacting Solids and Gases; Membrane Mirrors With Bimorph Shape Actuators; Using Fractional Clock-Period Delays in Telemetry Arraying; Developing Generic Software for Spacecraft Avionics; Numerical Study of Pyrolysis of Biomass in Fluidized Beds; and Assessment of Models of Chemically Reacting Granular Flows.

Source record↗
NASA NTRS2011

Base Flow Model Validation

A method was developed of obtaining propulsive base flow data in both hot and cold jet environments, at Mach numbers and altitude of relevance to NASA launcher designs. The base flow data was used to perform computational fluid dynamics (CFD) turbulence model assessments of base flow predictive capabilities in order to provide increased confidence in base thermal and pressure load predictions obtained from computational modeling efforts. Predictive CFD analyses were used in the design of the experiments, available propulsive models were used to reduce program costs and increase success, and a wind tunnel facility was used. The data obtained allowed assessment of CFD/turbulence models in a complex flow environment, working within a building-block procedure to validation, where cold, non-reacting test data was first used for validation, followed by more complex reacting base flow validation.

Sinha, Neeraj↗
NASA NTRS2012

Large-Eddy / Reynolds-Averaged Navier-Stokes Simulations of a Dual-Mode Scramjet Combustor

Numerical simulations of reacting and non-reacting flows within a scramjet combustor configuration experimentally mapped at the University of Virginia s Scramjet Combustion Facility (operating with Configuration A ) are described in this paper. Reynolds-Averaged Navier-Stokes (RANS) and hybrid Large Eddy Simulation / Reynolds-Averaged Navier-Stokes (LES / RANS) methods are utilized, with the intent of comparing essentially blind predictions with results from non-intrusive flow-field measurement methods including coherent anti-Stokes Raman spectroscopy (CARS), hydroxyl radical planar laser-induced fluorescence (OH-PLIF), stereoscopic particle image velocimetry (SPIV), wavelength modulation spectroscopy (WMS), and focusing Schlieren. NC State's REACTMB solver was used both for RANS and LES / RANS, along with a 9-species, 19- reaction H2-air kinetics mechanism by Jachimowski. Inviscid fluxes were evaluated using Edwards LDFSS flux-splitting scheme, and the Menter BSL turbulence model was utilized in both full-domain RANS simulations and as the unsteady RANS portion of the LES / RANS closure. Simulations were executed and compared with experiment at two equivalence ratios, PHI = 0.17 and PHI = 0.34. Results show that the PHI = 0.17 flame is hotter near the injector while the PHI = 0.34 flame is displaced further downstream in the combustor, though it is still anchored to the injector. Reactant mixing was predicted to be much better at the lower equivalence ratio. The LES / RANS model appears to predict lower overall heat release compared to RANS (at least for PHI = 0.17), and its capability to capture the direct effects of larger turbulent eddies leads to much better predictions of reactant mixing and combustion in the flame stabilization region downstream of the fuel injector. Numerical results from the LES/RANS model also show very good agreement with OH-PLIF and SPIV measurements. An un-damped long-wave oscillation of the pre-combustion shock train, which caused convergence problems in some RANS simulations, was also captured in LES / RANS simulations, which were able to accommodate its effects accurately.

Fulton, Jesse A.↗