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At least 217 records · Page 12

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NASA NTRS1994

Lewis number and Damkohler number effects in vort ex-flame interactions

A combined experimental-numerical study of the interaction of a two-dimensional vortex pair with a plane premixed laminar flame has been carried out. The selected geometry is two-dimensional in order to allow for the use of quantitative line-of-sight measurement techniques and for comparisons with two-dimensional direct numerical simulations. The experiment is used to identify possible effects of the Lewis number and of radiative heat losses, and direct numerical simulations reproducing the experimental conditions are used to investigate the role of the Lewis number, of heat losses, and of multi-step kinetics. The heat losses considered in this study are essentially radiative losses from the burnt gases and do not include conductive losses to the walls. This report presents the final results of this study of vortex-flame interactions. The main result is the creation of experimental data sets of vortex-flame interactions, which demonstrate the importance of the Lewis and Damkohler numbers to the flame and which allow for comparison with direct numerical simulations. In turn, the comparison between experimental and numerical results shows that the Lewis number effects and complex chemistry play significant roles, which can be reproduced using a two-step reaction mechanism.

Samaniego, Jean-Michael↗

NASA NTRS1993

A time-accurate finite volume method valid at all flow velocities

A finite volume method to solve the Navier-Stokes equations at all flow velocities (e.g., incompressible, subsonic, transonic, supersonic and hypersonic flows) is presented. The numerical method is based on a finite volume method that incorporates a pressure-staggered mesh and an incremental pressure equation for the conservation of mass. Comparison of three generally accepted time-advancing schemes, i.e., Simplified Marker-and-Cell (SMAC), Pressure-Implicit-Splitting of Operators (PISO), and Iterative-Time-Advancing (ITA) scheme, are made by solving a lid-driven polar cavity flow and self-sustained oscillatory flows over circular and square cylinders. Calculated results show that the ITA is the most stable numerically and yields the most accurate results. The SMAC is the most efficient computationally and is as stable as the ITA. It is shown that the PISO is the most weakly convergent and it exhibits an undesirable strong dependence on the time-step size. The degenerated numerical results obtained using the PISO are attributed to its second corrector step that cause the numerical results to deviate further from a divergence free velocity field. The accurate numerical results obtained using the ITA is attributed to its capability to resolve the nonlinearity of the Navier-Stokes equations. The present numerical method that incorporates the ITA is used to solve an unsteady transitional flow over an oscillating airfoil and a chemically reacting flow of hydrogen in a vitiated supersonic airstream. The turbulence fields in these flow cases are described using multiple-time-scale turbulence equations. For the unsteady transitional over an oscillating airfoil, the fluid flow is described using ensemble-averaged Navier-Stokes equations defined on the Lagrangian-Eulerian coordinates. It is shown that the numerical method successfully predicts the large dynamic stall vortex (DSV) and the trailing edge vortex (TEV) that are periodically generated by the oscillating airfoil. The calculated streaklines are in very good comparison with the experimentally obtained smoke picture. The calculated turbulent viscosity contours show that the transition from laminar to turbulent state and the relaminarization occur widely in space as well as in time. The ensemble-averaged velocity profiles are also in good agreement with the measured data and the good comparison indicates that the numerical method as well as the multipletime-scale turbulence equations successfully predict the unsteady transitional turbulence field. The chemical reactions for the hydrogen in the vitiated supersonic airstream are described using 9 chemical species and 48 reaction-steps. Consider that a fast chemistry can not be used to describe the fine details (such as the instability) of chemically reacting flows while a reduced chemical kinetics can not be used confidently due to the uncertainty contained in the reaction mechanisms. However, the use of a detailed finite rate chemistry may make it difficult to obtain a fully converged solution due to the coupling between the large number of flow, turbulence, and chemical equations. The numerical results obtained in the present study are in good agreement with the measured data. The good comparison is attributed to the numerical method that can yield strongly converged results for the reacting flow and to the use of the multiple-time-scale turbulence equations that can accurately describe the mixing of the fuel and the oxidant.

Kim, S.-W.↗

NASA NTRS1995

Molecular beam scattering from C-13 enriched Kapton and correlation with the EOIM-3 carousel experiment

Mass spectra of products emerging from identical samples of a C-13-enriched polyimide polymer (chemically equivalent to Kapton) under atomic oxygen bombardment in space and in the laboratory were collected. Reaction products unambiguously detected in space were CO-13, NO, (12)CO2, and (13)CO2. These reaction products and two others, H2O and CO-12, were detected in the laboratory, along with inelastically scattered atomic and molecular oxygen. Qualitative agreement was seen in the mass spectra taken in space and in the laboratory; the agreement may be improved by reducing the fraction of O2 in the laboratory molecular beam. Both laboratory and space data indicated that CO and CO2 products come preferentially from reaction with the imide component of the polymer chain, raising the possibility that the either component may degrade in part by the 'evaporation' of higher molecular weight fragments. Laboratory time-of-flight distributions showed: (1) incomplete energy accommodation of impinging O and O2 species that do not react with the surface; and (2) both hyperthermal and thermal CO and CO2 products, suggesting two distinct reaction mechanisms with the surface.

Minton, Timothy K.↗

NASA NTRS1994

Stationary premixed flames in spherical and cylindrical geometries

Stationary source-free spherical flames ('flame balls') in premixed combustible gases were studied by employing low-gravity (micro-g) environments in a drop tower and an aircraft flying parabolic trajectories to diminish the impact of buoyancy-induced convective flow. Flame balls were found in all mixture families tested when: (1) the Lewis number Le of the deficient reactant was sufficiently low; and (2) the compositions were sufficiently close to the flammability limits. Probably as a consequence of the reduction in buoyant convection, the flammability limits at micro-g were significantly more dilute than those at Earth gravity; for example, 3.35% H2 vs 4.0% H2 in lean H2-air mixtures. By comparison with analytical and computational models, it is inferred that the phenomenon is probably related to diffusive-thermal effects in low-Le mixtures in conjunction with flame-front curvature and radiative heat losses from the combustion products. The chemical reaction mechanism appears to play no qualitative role. In the aircraft experiments, the gravity levels (approximately equal 10(exp -2)g(sub 0)) were found to cause noticeable motion of flame balls due to buoyancy, which in turn influenced the behavior of flame balls. At these g levels, a new type of transient, nearly cylindrical flame structure, termed 'flame strings,' was observed.

Ronney, P. D.↗

NASA NTRS1995

Thermodynamics of Strecker synthesis in hydrothermal systems

Submarine hydrothermal systems on the early Earth may have been the sites from which life emerged. The potential for Strecker synthesis to produce biomolecules (amino and hydroxy acids) from starting compounds (ketones, aldehydes, HCN and ammonia) in such environments is evaluated quantitatively using thermodynamic data and parameters for the revised Helgeson-Kirkham-Flowers (HKF) equation of state. Although there is an overwhelming thermodynamic drive to form biomolecules by the Strecker synthesis at hydrothermal conditions, the availability and concentration of starting compounds limit the efficiency and productivity of Strecker reactions. Mechanisms for concentrating reactant compounds could help overcome this problem, but other mechanisms for production of biomolecules may have been required to produce the required compounds on the early Earth. Geochemical constraints imposed by hydrothermal systems provide important clues for determining the potential of these and other systems as sites for the emergence of life.

Schulte, Mitchell↗

NASA NTRS1996

Investigation of shock-induced combustion past blunt projectiles

A numerical study is conducted to simulate shock-induced combustion in premixed hydrogen-air mixtures at various free-stream conditions and parameters. Two-dimensional axisymmetric, reacting viscous flow over blunt projectiles is computed to study shock-induced combustion at Mach 5.11 and Mach 6.46 in hydrogen-air mixture. A seven-species, seven reactions finite rate hydrogen-air chemical reaction mechanism is used combined with a finite-difference, shock-fitting method to solve the complete set of Navier-Stokes and species conservation equations. The study has allowed an improved understanding of the physics of shock-induced combustion over blunt projectiles and the numerical results can now be explained more readily with one-dimensional wave-interaction model.

Ahuja, J. K.↗

NASA NTRS1996

Spectroscopic Analysis of Perfluoropolyether Lubricant Degradation During Boundary Lubrication

The degradation of a branched perfluoropolyether (PFPE) under boundary lubrication conditions was studied using mu-FTIR and mu-Raman spectroscopies. Stainless steel (440C) discs coated with thin (600A), uniform films of the PFPE were tested in a ball-on-disc apparatus until various levels of friction coefficient were attained. Discs were then examined using the above techniques. When the friction coefficient surpassed the value obtained with an un-lubricated control, the lubricant film had either been physically displaced or partially transformed in to a 'friction polymer'. Infrared analysis of this 'friction polymer' indicated the presence of a polymeric fluorinated acid species (R(sub f)COOH). Raman spectroscopy indicated the presence of amorphous carbon in the wear track and in the friction polymer. Some reaction mechanisms are suggested to explain the results.

Herrera-Fierro, Pilar↗

NASA NTRS1997

Study of the solid-phase thermal decomposition of NTO using Simultaneous Thermogravimetric Modulated Beam Mass Spectrometry (STMBMS)

The solid phase thermal reaction chemistry of NTO between 190 and 250 C is presently being evaluated by utilizing STMBMS, a technique that enables the authors to measure the vapor pressure of NTO and to explore the reaction mechanisms and chemical kinetics associated with the NTO thermal decomposition process. The vapor pressure of NTO is expressed as Log(sub 10) p(torr) = 12.5137 + 6,296.553(1/t(k)) and the Delta-H(sub subl) = 28.71 +/- 0.07 kcal/mol (120.01 +/- 0.29 kJ/mol). The pyrolysis of NTO results in the formation of gaseous products and a condensed-phase residue. The identity of the major gaseous products and their origin from within the NTO molecules are determined based on the results from pyrolysis of NTO, NTO-3-C-13, NTO-1,2- (15)N2 and NTO-(2)H2. Identification of the products show the major gaseous products to be N2, CO2, NO, HNCO, H2O and some N2O, CO, HCN and NH3. The N2 is mostly derived from the N-1 and N-2 positions with some being from the N-4 and N-1 or N-2 positions. The CO2 is derived from both carbons in the NTO molecule in comparable amounts. The residue has an elemental formula of C(2.1)H(.26)N(2.9)O and FTIR analysis suggests that the residue is polyurea- and polycarbamate- like in nature. The temporal behaviors of the rates of formation of the gaseous products indicate that the overall thermal decomposition of NTO in the temperature range evaluated involves four major processes: (1) NTO sublimation; (2) an apparent solid-solid phase transition between 190 and 195 C; (3) a decomposition regime induced by the presence of exogenous H2O at the onset of decomposition; and (4) a decomposition regime that occurs at the onset of decomposition and continues until the depletion of NTO. Decomposition pathways that are consistent with the data are presented.

Minier, L.↗

NASA NTRS1998

Recombination Catalysts for Hypersonic Fuels

The goal of commercially-viable access to space will require technologies that reduce propulsion system weight and complexity, while extracting maximum energy from the products of combustion. This work is directed toward developing effective nozzle recombination catalysts for the supersonic and hypersonic aeropropulsion engines used to provide such access to space. Effective nozzle recombination will significantly reduce rk=le length (hence, propulsion system weight) and reduce fuel requirements, further decreasing the vehicle's gross lift-off weight. Two such catalysts have been identified in this work, barium and antimony compounds, by developing chemical kinetic reaction mechanisms for these materials and determining the engine performance enhancement for a typical flight trajectory. Significant performance improvements are indicated, using only 2% (mole or mass) of these compounds in the combustor product gas.

Chinitz, W.↗

NASA NTRS1999

Structure of the Soot Growth Region of Laminar Premixer Methane/Oxygen Flames

Soot is a dominant feature of hydrocarbon/air flames, affecting their reaction mechanisms and structure. As a result, soot processes affect capabilities for computational combustion as well as predictions of flame radiation and pollution emissions. Motivated by these observations, the present investigation extended past work on soot growth in laminar premixed flames, seeking to evaluate model predictions of flame structure. Xu et al. report direct measurements of soot residence times, soot concentrations, soot structure, gas temperatures and gas compositions for premixed flames similar to those studied by Harris and Weiner and Ramer et al. respectively. It was found that predictions of major stable gas species concentrations based on mechanisms of Leung and Lindstedt and Frenklach and coworkers, were in good agreement with the measurements. The results were also used to evaluate the hydrogen-abstraction/carbon-addition (HACA) soot growth mechanisms of Frenklach and coworkers and Colket and Hall. It was found that these mechanisms were effective using quite reasonable correlations for the steric factors appearing in the theories. The successful evaluation of the HACA mechanism of soot growth in Refs. 1 and 2 is encouraging but one aspect of this evaluation is a concern. In particular, H-atom concentrations play a crucial role in the HACA mechanism and it was necessary to estimate these concentrations because they were not measured directly. These estimates were made assuming local thermodynamic equilibrium between H, and H based on measured temperatures and H2 concentrations and the equilibrium constant data of Kee et al.. This approach was justified by the flame structure predictions; nevertheless, direct evaluation of equilibrium estimates of H-atom concentrations in the soot growth regions of laminar premixed flames is needed to provide more convincing proof of this behavior. Thus, the objective of the present investigation was to complete new measurements of the structure of the soot growth region of laminar premixed flames and to use these results to evaluate whether H and H2 are in thermodynamic equilibrium and to extend the earlier evaluation of predictions of concentrations of major gas species.

Xu, F.↗

NASA NTRS2000

Structure of Laminar Permanently Blue, Opposed-Jet Ethylene-Fueled Diffusion Flames

The structure and state relationships of laminar soot-free (permanently blue) ethylene-fueled diffusion flames at various strain rates were studied both experimentally and computationally using an opposed-jet configuration. Measurements of gas velocities, temperatures, and compositions were carried out along the stagnation stream line. Corresponding predictions of flame structure were obtained, based on numerical simulations using several contemporary reaction mechanisms for methane oxidation. Flame conditions studied included ethylene-fueled opposed-jet diffusion flames having stoichiometric mixture fractions of 0.7 with measurements involving strain rates of 60-240/s and predictions involving strain rates of 0-1140/s at normal temperature and pressure. It was found that measured major gas species concentrations and temperature distributions were in reasonably good agreement with predictions using mechanisms due to GRI-Mech and Peters and that effects of preferential diffusion significantly influence flame structure even when reactant mass diffusivities are similar. Oxygen leakage to fuel-rich conditions and carbon monoxide leakage to fuel-lean conditions both increased as strain rates increased. Furthermore, increased strain rates caused increased fuel concentrations near the flame sheet, decreased peak gas temperatures, and decreased concentrations of carbon dioxide and water vapor throughout the flames. State relationships for major gas species and gas temperatures were found to exist over a broad range of strain rates, providing potential for significant computational simplifications for modeling purposes in some instances.

Lin, K.-C.↗

NASA NTRS2000

Structure of Laminar Permanently Blue, Opposed-Jet Ethylene-Fueled Diffusion Flames

Lin, K.-C.↗

NASA NTRS1999

Numerical Simulations of Acoustically Driven, Burning Droplets

This computational study focuses on understanding and quantifying the effects of external acoustical perturbations on droplet combustion. A one-dimensional, axisymmetric representation of the essential diffusion and reaction processes occurring in the vicinity of the droplet stagnation point is used here in order to isolate the effects of the imposed acoustic disturbance. The simulation is performed using a third order accurate, essentially non-oscillatory (ENO) numerical scheme with a full methanol-air reaction mechanism. Consistent with recent microgravity and normal gravity combustion experiments, focus is placed on conditions where the droplet is situated at a velocity antinode in order for the droplet to experience the greatest effects of fluid mechanical straining of flame structures. The effects of imposed sound pressure level and frequency are explored here, and conditions leading to maximum burning rates are identified.

Kim, H.-C.↗

NASA NTRS1998

A Computational Chemistry Database for Semiconductor Processing

The concept of 'virtual reactor' or 'virtual prototyping' has received much attention recently in the semiconductor industry. Commercial codes to simulate thermal CVD and plasma processes have become available to aid in equipment and process design efforts, The virtual prototyping effort would go nowhere if codes do not come with a reliable database of chemical and physical properties of gases involved in semiconductor processing. Commercial code vendors have no capabilities to generate such a database, rather leave the task to the user of finding whatever is needed. While individual investigations of interesting chemical systems continue at Universities, there has not been any large scale effort to create a database. In this presentation, we outline our efforts in this area. Our effort focuses on the following five areas: 1. Thermal CVD reaction mechanism and rate constants. 2. Thermochemical properties. 3. Transport properties.4. Electron-molecule collision cross sections. and 5. Gas-surface interactions.

Jaffe, R.↗

NASA NTRS2002

Limits on the UV Photodecomposition of Carbonates on Mars

The effect of UV (ultraviolet) light on the stability of calcium carbonate in a simulated martian atmosphere was experimentally investigated. Sample cells containing C-13 labeled calcite were irradiated with a Xe arc lamp in 10 mbar of simulated martian atmosphere and a quadrupole mass spectrometer was used to monitor the headspace gases for the production of (13)CO2. We found no experimental evidence of the UV photodecomposition of calcium carbonate in a simulated martian atmosphere. Extrapolating the lower limit of detection of our experimental system to an upper limit of carbonate decomposition on Mars yields a quantum efficiency of 3.5 x 10(exp -8) molecules/photon over the wavelength interval of 190-390 nm and a maximum UV photodecomposition rate of 1.2 x 10(exp -13) kg m(exp -2) s(exp -1) from a calcite surface. The maximum loss of bulk calcite due to this process would be 2.5 nm yr(exp -1). However, calcite is expected to be thermodynamically stable on the surface of Mars and potential UV photodecomposition reaction mechanisms indicate that while calcium carbonate may decompose under vacuum, it would be stable in a CO2 atmosphere. Given the expected stability of carbonate on Mars and our inability to detect carbonate decomposition, we conclude that it is unlikely that the apparent absence of carbonate on the martian surface is due to UV photo decomposition of calcite in the current environment.

Quinn, Richard↗

NASA NTRS2002

Effects of Fuel Distribution on Detonation Tube Performance

A pulse detonation engine (PDE) uses a series of high frequency intermittent detonation tubes to generate thrust. The process of filling the detonation tube with fuel and air for each cycle may yield non-uniform mixtures. Lack of mixture uniformity is commonly ignored when calculating detonation tube thrust performance. In this study, detonation cycles featuring idealized non-uniform H2/air mixtures were analyzed using the SPARK two-dimensional Navier-Stokes CFD code with 7-step H2/air reaction mechanism. Mixture non-uniformities examined included axial equivalence ratio gradients, transverse equivalence ratio gradients, and partially fueled tubes. Three different average test section equivalence ratios (phi), stoichiometric (phi = 1.00), fuel lean (phi = 0.90), and fuel rich (phi = 1.10), were studied. All mixtures were detonable throughout the detonation tube. It was found that various mixtures representing the same test section equivalence ratio had specific impulses within 1 percent of each other, indicating that good fuel/air mixing is not a prerequisite for optimal detonation tube performance.

Perkins, Hugh Douglas↗

NASA NTRS2002

Computational Study of Near-limit Propagation of Detonation in Hydrogen-air Mixtures

A computational investigation of the near-limit propagation of detonation in lean and rich hydrogen-air mixtures is presented. The calculations were carried out over an equivalence ratio range of 0.4 to 5.0, pressures ranging from 0.2 bar to 1.0 bar and ambient initial temperature. The computations involved solution of the one-dimensional Euler equations with detailed finite-rate chemistry. The numerical method is based on a second-order spatially accurate total-variation-diminishing (TVD) scheme, and a point implicit, first-order-accurate, time marching algorithm. The hydrogen-air combustion was modeled with a 9-species, 19-step reaction mechanism. A multi-level, dynamically adaptive grid was utilized in order to resolve the structure of the detonation. The results of the computations indicate that when hydrogen concentrations are reduced below certain levels, the detonation wave switches from a high-frequency, low amplitude oscillation mode to a low frequency mode exhibiting large fluctuations in the detonation wave speed; that is, a 'galloping' propagation mode is established.

Yungster, S.↗

NASA NTRS1986

Water Filtration Products

American Water Corporation manufactures water filtration products which incorporate technology originally developed for manned space operations. The formula involves granular activated charcoal and other ingredients, and removes substances by catalytic reactions, mechanical filtration, and absorption. Details are proprietary. A NASA literature search contributed to development of the compound. The technology is being extended to a deodorizing compound called Biofresh which traps gas and moisture inside the unit. Further applications are anticipated.

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