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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 73 records · Page 4

Iron Catalyst Chemistry in High Pressure Carbon Monoxide Nanotube Reactor

The high-pressure carbon monoxide (HiPco) technique for producing single wall carbon nanotubes (SWNT) is analyzed using a chemical reaction model coupled with properties calculated along streamlines. Streamline properties for mixing jets are calculated by the FLUENT code using the k-e turbulent model for pure carbon monixide. The HiPco process introduces cold iron pentacarbonyl diluted in CO, or alternatively nitrogen, at high pressure, ca. 30 atmospheres into a conical mixing zone. Hot CO is also introduced via three jets at angles with respect to the axis of the reactor. Hot CO decomposes the Fe(CO)5 to release atomic Fe. Cluster reaction rates are from Krestinin, et aI., based on shock tube measurements. Another model is from classical cluster theory given by Girshick's team. The calculations are performed on streamlines that assume that a cold mixture of Fe(CO)5 in CO is introduced along the reactor axis. Then iron forms clusters that catalyze the formation of SWNTs from the Boudouard reaction on Fe-containing clusters by reaction with CO. To simulate the chemical process along streamlines that were calculated by the fluid dynamics code FLUENT, a time history of temperature and dilution are determined along streamlines. Alternative catalyst injection schemes are also evaluated.

Scott, Carl D.↗

Theory and observation of a dynamically evolving negative ion plasma

The study described here examines the full range of negative-ion chemistry in the upper ionosphere by using current reaction rate data to investigate the many chemical paths SF6-type injections might take in an F region environment. Special attention is given to the conditions required to create heavy negative ions that persist long enough to affect the dynamical properties of the F region. The ambipolar diffusion characteristics of a three-component plasma are described, and estimates are given of the incoherent scatter spectra obtained from such a plasma. Model calculations using a first-order chemical code are defined and tested in order to investigate the actual types of negative-ion plasma capable of being created under nighttime conditions.

Mendillo, M.↗

Molecule formation. I - In normal H I clouds. II - In interstellar shock waves.

The formation of simple molecules and their role in the chemistry and physics of the interstellar medium is considered. The requirements for recombination reactions to occur on interstellar grains with the subsequent buildup of a molecular mantle are discussed. Together with a discussion of depletion and heating of the evolving gas, this forms the basis for a treatment of the precollision history of dust and gas. All the chemical reactions included in the calculations are given, as well as the results of calculations for two values of the intercloud pressure and for a range of cloud masses. Shock waves in clouds whose precollision history has been calculated are treated, followed by discussion of the shock structure and the dynamics of the grains. The process of sputtering is treated, and expressions are given for the cooling rates, including cooling due to the molecules formed behind the shock front. All the chemical reactions included in the calculations are given, as well as the results of calculations for a range of shock velocities and initial molecular hydrogen abundances.

Aannestad, P. A.↗

Computed Potential Energy Surfaces and Minimum Energy Pathways for Chemical Reactions

Computed potential energy surfaces are often required for computation of such parameters as rate constants as a function of temperature, product branching ratios, and other detailed properties. For some dynamics methods, global potential energy surfaces are required. In this case, it is necessary to obtain the energy at a complete sampling of all the possible arrangements of the nuclei, which are energetically accessible, and then a fitting function must be obtained to interpolate between the computed points. In other cases, characterization of the stationary points and the reaction pathway connecting them is sufficient. These properties may be readily obtained using analytical derivative methods. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method to obtain accurate energetics, gives usefull results for a number of chemically important systems. The talk will focus on a number of applications including global potential energy surfaces, H + O2, H + N2, O(3p) + H2, and reaction pathways for complex reactions, including reactions leading to NO and soot formation in hydrocarbon combustion.

Walch, Stephen P.↗

Introduction to the internal fluid mechanics research session

Internal fluid mechanics research at LeRC is directed toward an improved understanding of the important flow physics affecting aerospace propulsion systems, and applying this improved understanding to formulate accurate predictive codes. To this end, research is conducted involving detailed experimentation and analysis. The following three papers summarize ongoing work and indicate future emphasis in three major research thrusts: inlets, ducts, and nozzles; turbomachinery; and chemical reacting flows. The underlying goal of the research in each of these areas is to bring internal computational fluid mechanic to a state of practical application for aerospace propulsion systems. Achievement of this goal requires that carefully planned and executed experiments be conducted in order to develop and validate useful codes. It is critical that numerical code development work and experimental work be closely coupled. The insights gained are represented by mathematical models that form the basis for code development. The resultant codes are then tested by comparing them with appropriate experiments in order to ensure their validity and determine their applicable range. The ultimate user community must be a part of this process to assure relevancy of the work and to hasten its practical application. Propulsion systems are characterized by highly complex and dynamic internal flows. Many complex, 3-D flow phenomena may be present, including unsteadiness, shocks, and chemical reactions. By focusing on specific portions of a propulsion system, it is often possible to identify the dominant phenomena that must be understood and modeled for obtaining accurate predictive capability. The three major research thrusts serve as a focus leading to greater understanding of the relevant physics and to an improvement in analytic tools. This in turn will hasten continued advancements in propulsion system performance and capability.

Miller, Brent A.↗

SABER Observations of the OH Meinel Airglow Variability Near the Mesopause

The Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) instrument, one of four on board the TIMED satellite, observes the OH Meinel emission at 2.0 m that peaks near the mesopause. The emission results from reactions between members of the oxygen and hydrogen chemical families that can be significantly affected by mesopause dynamics. In this study we compare SABER measurements of OH Meinel emission rates and temperatures with predictions from a 3-dimensional chemical dynamical model. In general, the model is capable of reproducing both the observed diurnal and seasonal OH Meinel emission variability. The results indicate that the diurnal tide has a large effect on the overall magnitude and temporal variation of the emission in low latitudes. This tidal variability is so dominant that the seasonal cycle in the nighttime emission depends very strongly on the local time of the analysis. At higher latitudes, the emission has an annual cycle that is due mainly to transport of oxygen by the seasonally reversing mean circulation.

Marsh, Daniel R.↗

Spacelab 2 Upper Atmospheric Modification experiment over Arecibo. I - Neutral gas dynamics

The Orbital Maneuvering Subsystem engines of the Space Shuttle were used to inject H2, CO2, H2O and other combustion products into the upper atmosphere over the Arecibo Observatory. Images of the airglow enhancements that resulted from chemical reactions between the exhaust gases and the F-layer plasma showed that the exhaust vapor trail came to rest 80 km downstream from the center of the burn. A computer simulation of the gas dynamics shows that the region of the burn was dominated by a 'snow plow' effect sweeping out a corridor in the atmosphere and collisionally heating the injected vapors.

Bernhardt, P. A.↗

Liquid rocket actuators and operators

All the types of actuators and associated operators used in booster, upper stage, and spacecraft propulsion and reaction-control systems except for chemical-explosive actuators and turbine actuators are discussed. Discussion of static and dynamic seals, mechanical transmission of motion, and instrumentation is included to the extent that actuator or operator design is affected. Selection of the optimum actuator configuration is discussed for specific application which require a tradeoff study that considers all the relevant factors: available energy sources, load capacity, stroke, speed of response, leakage limitations, environmental conditions, chemical compatibility, storage life and conditions, size, weight, and cost. These factors are interrelated with overall control-system design evaluations that are beyond the scope of this monograph; however, literature references are cited for a detailed review of the general considerations. Perinent advanced-state-of-the-art design concepts are surveyed briefly.

Source record↗

NASA upper atmosphere research program: Research summaries, 1990 - 1991. Report to the Congress and the Environmental Protection Agency

The objectives, status, and accomplishments of the research tasks supported under the NASA Upper Atmosphere Research Program (UARP) are presented. The topics covered include the following: balloon-borne in situ measurements; balloon-borne remote measurements; ground-based measurements; aircraft-borne measurements; rocket-borne measurements; instrument development; reaction kinetics and photochemistry; spectroscopy; stratospheric dynamics and related analysis; stratospheric chemistry, analysis, and related modeling; and global chemical modeling.

Source record↗

Ozone and temperature trends in the lower stratosphere

It is shown that the pattern of temperature trend with height in the upper troposphere and lower stratosphere is consistent with that calculated from a model incorporating the observed ozone changes. The magnitude of the observed temperature decrease is less than that determined from the numerical model. It is found that the obverse ozone-temperature relationship does not hold. If the temperature at 20 km decreases, this by itself would result in an increase in the ozone values through the inverse temperature sensitivity of the chemical reactions. In the lower stratosphere a positive correlation between ozone and temperature tends to exist through the dynamics. Ozone-rich air moving downward undergoes an increase in temperature through adiabatic compression and vice-versa. That the temperature trends indicate no apparent variation with latitude suggests a nondynamic cause.

Miller, A. J.↗

Dynamics of Solar Energetic Particles in Geospace

Solar energetic particles (SEPs) penetrate deep into the geospace and the Earth's atmosphere, initiating nuclear and chemical reactions. These reactions produce secondary hadrons, leptons, and photons, posing radiation hazards at commercial aviation altitudes, particularly during high-latitude flights. During solar particle events, protons with energies above 10 MeV can reach below 100 km altitude, causing ionization that disrupts HF communication and navigation in polar regions. Galactic Cosmic Rays (GCRs) and Solar Energetic Particles (SEPs) pose radiation risks to satellites, astronauts, and ground infrastructure. High-energy particles can lead to single-event effects in spacecraft electronics, such as upsets, latch-ups, and burnouts. These particles also interact with the Earth's atmosphere, generating ionization and secondary particles like hadrons, leptons, and photons, creating hazards for astronauts, especially during extravehicular activities. The work presented in the paper is focused on characterizing the SEP population in geospace in the altitude range starting from that of LEO through MEO and GEO, and up to the magnetopause accounting for the realistic geomagnetic field. The dynamics of SEPs are studied during quiet and geomagnetically active times using Monte Carlo simulations. The paper discusses the variability of the SEP population in geospace in response to geomagnetic activity. The former manifests in the temporal trapping of SEPs in geospace and the suppression of rigidity cutoff during geomagnetic storms.

Valeriy Tenishev↗

Data Base for CFD Validation

The flow behind the shock wave formed around objects which fly at hypervelocity behaves differently from that of a perfect gas. Molecules become vibrationally excited, dissociated, and ionized. The hot gas may emit or absorb radiation. When the atoms produced by dissociation reach the wall surface, chemical reactions, including recombination, may occur. The thermochemical phenomena of vibration, dissociation, ionization, surface chemical reaction, and radiation are referred to commonly as high-temperature real-gas phenomena. The phenomena cause changes in the dynamic behavior of the flow and the surface pressure and heat transfer distribution around the object. The character of a real gas is described by the internal degrees of freedom and state of constituent molecules; nitrogen and oxygen for air. The internal energy states, rotation, vibration and electronic, of the molecules are excited and, in the limit, the molecular bonds are exceeded and the gas dissociated into atomic and, possibly, ionic constituents. The process of energy transfer causing excitation, dissociation and recombination is a rate process controlled by particle collisions. Binary, two-body, collisions are sufficient to cause internal excitation, dissociation and ionization while three-body collisions are required to recombine the particles into molecular constituents. If the rates of energy transfer are fast with respect to the local fluid dynamic time scale the gas is in, or nearly in, equilibrium. If the energy transfer rates are very slow the gas can be described as frozen. In all other instances, wherein any of the energy exchange rates are comparable to the local fluid time scale, the gas will be thermally or chemically reacting and out of equilibrium. Real gas thermochemical nonequilibrium processes are important in the determination of aerodynamic heating; both convective (including wall catalytic effects) and radiative heating. To illustrate this we consider the hypervelocity flow over a bluff body typical of an atmospheric entry vehicle or an aerospace transfer vehicle (ASTV). The qualitative aspects of a hypersonic flow field over a bluff body are discussed in two parts, forebody and afterbody, with attention to which particular physical effects must be included in an analysis. This will indicate what type of numerical modeling will be adequate in each region of the flow. A bluff forebody flow field is dominated by the presence of the strong bow shock wave and the consequent heating, and chemical reaction of the gas. At high altitude hypersonic flight conditions the thermal excitation and chemical reaction of the gas occur slowly enough that a significant portion of the flow field is in a state of thermochemical nonequilibrium. A second important effect is the presence of the thick boundary layer along the forebody surface. In this region there are large thermal and chemical species gradients due to the interaction of the gas with the wall. Also at high altitudes the shock wave and the boundary layer may become so thick that they merge; in this case the entire shock layer is dominated by viscous effects.

Deiwert, George S.↗

Development of toughened epoxy polymers for high performance composite and ablative applications

A survey of current procedures for the assessment of state of cure in epoxy polymers and for the evaluation of polymer toughness as related to nature of the crosslinking agent was made to facilitate a cause-effect study of the chemical modification of epoxy polymers. Various conformations of sample morphology were examined to identify testing variables and to establish optimum conditions for the selected physical test methods. Dynamic viscoelasticity testing was examined in conjunction with chemical analyses to allow observation of the extent of the curing reaction with size of the crosslinking agent the primary variable. Specifically the aims of the project were twofold: (1) to consider the experimental variables associated with development of "extent of cure" analysis, and (2) to assess methodology of fracture energy determination and to prescribe a meaningful and reproducible procedure. The following is separated into two categories for ease of presentation.

Allen, V. R.↗

Laser diagnostics of photochemistry and reaction dynamics

Experiments will be described which illustrate how tunable dye lasers are used to determine the quantum state distributions of the free radicals that are produced in photochemical systems. Other experiments will be described to show how lasers can be used to accurately measure the effects of internal energy upon the rate of chemical reactions.

Jackson, W. M.↗

Towards a generalized computational fluid dynamics technique for all Mach numbers

Currently there exists no single unified approach for efficiently and accurately solving computational fluid dynamics (CFD) problems across the Mach number regime, from truly low speed incompressible flows to hypersonic speeds. There are several CFD codes that have evolved into sophisticated prediction tools with a wide variety of features including multiblock capabilities, generalized chemistry and thermodynamics models among other features. However, as these codes evolve, the demand placed on the end user also increases simply because of the myriad of features that are incorporated into these codes. In order for a user to be able to solve a wide range of problems, several codes may be needed requiring the user to be familiar with the intricacies of each code and their rather complicated input files. Moreover, the cost of training users and maintaining several codes becomes prohibitive. The objective of the current work is to extend the compressible, characteristic-based, thermochemical nonequilibrium Navier-Stokes code GASP to very low speed flows and simultaneously improve convergence at all speeds. Before this work began, the practical speed range of GASP was Mach numbers on the order of 0.1 and higher. In addition, a number of new techniques have been developed for more accurate physical and numerical modeling. The primary focus has been on the development of optimal preconditioning techniques for the Euler and the Navier-Stokes equations with general finite-rate chemistry models and both equilibrium and nonequilibrium thermodynamics models. We began with the work of Van Leer, Lee, and Roe for inviscid, one-dimensional perfect gases and extended their approach to include three-dimensional reacting flows. The basic steps required to accomplish this task were a transformation to stream-aligned coordinates, the formulation of the preconditioning matrix, incorporation into both explicit and implicit temporal integration schemes, and modification of the numerical flux formulae. In addition, we improved the convergence rate of the implicit time integration schemes in GASP through the use of inner iteration strategies and the use of the GMRES (General Minimized Resisual) which belongs to the class of algorithms referred to as Krylov subspace iteration. Finally, we significantly improved the practical utility of GASP through the addition of mesh sequencing, a technique in which computations begin on a coarse grid and get interpolated onto successively finer grids. The fluid dynamic problems of interest to the propulsion community involve complex flow physics spanning different velocity regimes and possibly involving chemical reactions. This class of problems results in widely disparate time scales causing numerical stiffness. Even in the absence of chemical reactions, eigenvalue stiffness manifests itself at transonic and very low speed flows which can be quantified by the large condition number of the system and evidenced by slow convergence rates. This results in the need for thorough numerical analysis and subsequent implementation of sophisticated numerical techniques for these difficult yet practical problems. As a result of this work, we have been able to extend the range of applicability of compressible codes to very low speed inviscid flows (M = .001) and reacting flows.

Walters, R. W.↗

The Influence of Material Characterization on Thermal Loads Development and Flight Vehicle Design

The thermal management team faces a significant challenge to meet the aggressive thermal loading associated with hypersonic flight. Design strategies require the involvement of many engineering disciplines, as each must design their respective subsystem and then interface with all remaining subsystems to successfully close the vehicle design space. High fidelity thermal solid models will capture the variation in material properties and the effects of chemical reactions associated with hypersonic flight. Selection of the best materials for the mission will be based upon computational fluid dynamics and thermal modeling results. To enhance the probability for success, it is recommended that frequent communication occur between the thermal modeler and the materials scientist regarding design strategies and modeling assumptions. Early in the design process, lower fidelity modeling will be used to narrow the trade space. As promising designs are found, greater fidelity in the modeling process will be required to address more of the flowfield challenges and the material performance under the prescribed flight profile. The end goal is to select the most technically sound and physically advantageous material for the mission while avoiding overdesigning the vehicle due to modeling or material uncertainties. This presentation seeks to give an overview of the key thermal parameters that are affected through materials engineering, the interactions between a thermal engineer and other disciplines, and an example of the thermal design process, the X-43.

hypersonic↗

Radiolytic Cryovolcanism Revisited

Location of Enceladus within the inner magnetosphere of Saturn makes it likely that energetic electron irradiation, ion-neutral chemistry of the emergent cryovolcanic plume gas, and resultant radiolytic modification of surface ice composition could impact long-term evolution of molecular composition in the global ice crust. Thermally-driven convection of ice in the south polar terrain would bring radiolytic oxidant products into contact with subsurface reservoirs of primordial organics on million-year time scales. The chemical reactions leading to CO2 gas production as a primary gas-piston driver of cryovolcanic activity would be exponentially elevated in the warm-ice margins of a heated fluid. The fluid temperature is typically assumed to be below 273 K but could be much higher in a gas-pressurized deep subsurface environment. The Perrier Ocean model has demonstrated how a CO2-loaded fluid could account for the observed jets, while the heat content of the fluid arising from the moon's deeper interior could support high levels of chemical reactivity in the thermal margins. Since mass loss and tidal dissipation arguments do not support continuous activity over billions of years, the activity is likely very episodic so that even low-level energy sources including irradiation-driven radiolysis of surface ices could substantially contribute to the chemical dynamics of the activity apparently now in high phase. A multi-phase thermochemical model, and supporting laboratory measurements of temperature-dependent reaction rates, are needed to investigate these potentially complex processes.

Cooper, John F.↗

Recent advances in hypersonic technology

This paper will focus on recent advances in hypersonic aerodynamic prediction techniques. Current capabilities of existing numerical methods for predicting high Mach number flows will be discussed and shortcomings will be identified. Physical models available for inclusion into modern codes for predicting the effects of transition and turbulence will also be outlined and their limitations identified. Chemical reaction models appropriate to high-speed flows will be addressed, and the impact of their inclusion in computational fluid dynamics codes will be discussed. Finally, the problem of validating predictive techniques for high Mach number flows will be addressed.

Dwoyer, Douglas L.↗