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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Modeling of combustion processes of stick propellants via combined Eulerian-Lagrangian approach

This research is motivated by the improved ballistic performance of large-caliber guns using stick propellant charges. A comprehensive theoretical model for predicting the flame spreading, combustion, and grain deformation phenomena of long, unslotted stick propellants is presented. The formulation is based upon a combined Eulerian-Lagrangian approach to simulate special characteristics of the two phase combustion process in a cartridge loaded with a bundle of sticks. The model considers five separate regions consisting of the internal perforation, the solid phase, the external interstitial gas phase, and two lumped parameter regions at either end of the stick bundle. For the external gas phase region, a set of transient one-dimensional fluid-dynamic equations using the Eulerian approach is obtained; governing equations for the stick propellants are formulated using the Lagrangian approach. The motion of a representative stick is derived by considering the forces acting on the entire propellant stick. The instantaneous temperature and stress fields in the stick propellant are modeled by considering the transient axisymmetric heat conduction equation and dynamic structural analysis.

Kuo, K. K.↗
NASA NTRS2003

Low Reynolds Number Droplet Combustion In CO2 Enriched Atmospheres In Microgravity

The effect of radiative feedback from the gas phase in micro-gravity combustion processes has been of increasing concern because of the implications in the selection and evaluation of appropriate fire suppressants. The use of CO2, an optically thick gas in the infrared region of the electromagnetic spectrum, has garnered widespread acceptance as an effective fire suppressant for most ground based applications. Since buoyant forces often dominate the flow field in 1-g environments the temperature field between the flame front and the fuel surface is not significantly affected by gas phase radiative absorption and re-emission as these hot gases are quickly swept downstream. However, in reduced gravity environments where buoyant-driven convective flows are negligible and where low-speed forced convective flows may be present at levels where gas phase radiation becomes important, then changes in environment that enhance gas phase radiative effects need to be better understood. This is particularly true in assessments of flammability limits and selection of appropriate fire suppressants for future space applications. In recognition of this, a ground-based investigation has been established that uses a droplet combustion configuration to systematically study the effects of enhanced gas phase radiation on droplet burn rates, flame structure, and radiative output from the flame zone.

Hicks, M. C.↗
NASA NTRS1985

Time dependent chemistry in dense molecular clouds. I - Grain surface reactions, gas/grain interactions and infrared spectroscopy

For the fist time, a time-dependent model is described which includes the role of grains in the production of molecules in dense clouds including ion-molecule gas phase chemistry. The approach provides information regarding the coupling between the two phases. Although the coupling between the two chemistries is extremely strong, the two domains maintain their own identities. While H2O, CH4, and NH3 are made efficiently, with a high production rate on grains and released back to the gas phase, the gas phase is essentially responsible for the formation of CO, a very stable molecule which may or may not react on grains with atomic oxygen and may or may not form CO2.

Dhendecourt, L. B.↗
NASA NTRS2001

Effects of Gravity on Cocurrent Two-Phase Gas-Liquid Flows Through Packed Columns

This work presents the experimental results of research on the influence of gravity on flow pattern transitions, pressure drop and flow characteristics for cocurrent gas-liquid two-phase flow through packed columns. The flow pattern transition data indicates that the pulse flow regime exists over a wider range of gas and liquid flow rates under reduced gravity conditions compared to normal gravity cocurrent down-flow. This is illustrated by comparing the flow regime transitions found in reduced gravity with the transitions predicted by Talmor. Next, the effect of gravity on the total pressure drop in a packed column is shown to depend on the flow regime. The difference is roughly equivalent to the liquid static head for bubbly flow but begins to decrease at the onset of pulse flow. As the spray flow regime is approached by increasing the gas to liquid ratio, the effect of gravity on pressure drop becomes negligible. Finally, gravity tends to suppress the amplitude of each pressure pulse. An example of this phenomenon is presented.

Motil, Brian J.↗
NASA NTRS2003

Particle Effects On The Extinction And Ignition Of Flames In Normal- And Micro-Gravity

Reacting dusty flows have been studied to lesser extent than pure gas phase flows and sprays. Particles can significantly alter the ignition, burning and extinction characteristics of the gas phase due to the dynamic, thermal, and chemical couplings between the phases. The understanding of two-phase flows can be attained in stagnation flow configurations, which have been used to study spray combustion [e.g. 1] as well as reacting dusty flows [e.g. 2]. The thermal coupling between inert particles and a gas, as well as the effect of gravity, were studied in Ref. 3. It was also shown that the gravity can substantially affect parameters such as the particle velocity, number density, mass flux, and temperature. In Refs. 4 and 5, the effects of inert particles on the extinction of strained premixed and nonpremixed flames were studied both experimentally and numerically at 1-g and m-g. It was shown that large particles can cool flames more effectively than smaller particles. The effects of flame configuration and particle injection orientation were also addressed. It was shown that it was not possible to obtain a simple and still meaningful scaling that captured all the pertinent physics due to the complexity of the couplings between parameters. Also, the cooling by particles is more profound in the absence of gravity as gravity works to reduce the particle number density in the neighborhood of the flame. The efforts were recently shifted towards the understanding of the effects of combustible particles on extinction [6], the gas-phase ignition by hot particle injection [7], and the hot gas ignition of flames in the presence of particles that are not hot enough to ignite the gas phase by themselves.

Andac, M. G.↗
NASA NTRS2000

A Priori Subgrid Scale Modeling for a Droplet Laden Temporal Mixing Layer

Subgrid analysis of a transitional temporal mixing layer with evaporating droplets has been performed using a direct numerical simulation (DNS) database. The DNS is for a Reynolds number (based on initial vorticity thickness) of 600, with droplet mass loading of 0.2. The gas phase is computed using a Eulerian formulation, with Lagrangian droplet tracking. Since Large Eddy Simulation (LES) of this flow requires the computation of unfiltered gas-phase variables at droplet locations from filtered gas-phase variables at the grid points, it is proposed to model these by assuming the gas-phase variables to be given by the filtered variables plus a correction based on the filtered standard deviation, which can be computed from the sub-grid scale (SGS) standard deviation. This model predicts unfiltered variables at droplet locations better than simply interpolating the filtered variables. Three methods are investigated for modeling the SGS standard deviation: Smagorinsky, gradient and scale-similarity. When properly calibrated, the gradient and scale-similarity methods give results in excellent agreement with the DNS.

Okongo, Nora↗
NASA NTRS1998

Current Status on the use of Parallel Computing in Turbulent Reacting Flow Computations Involving Sprays, Monte Carlo PDF and Unstructured Grids

The state of the art in multidimensional combustor modeling as evidenced by the level of sophistication employed in terms of modeling and numerical accuracy considerations, is also dictated by the available computer memory and turnaround times afforded by present-day computers. With the aim of advancing the current multi-dimensional computational tools used in the design of advanced technology combustors, a solution procedure is developed that combines the novelty of the coupled CFD/spray/scalar Monte Carlo PDF (Probability Density Function) computations on unstructured grids with the ability to run on parallel architectures. In this approach, the mean gas-phase velocity and turbulence fields are determined from a standard turbulence model, the joint composition of species and enthalpy from the solution of a modeled PDF transport equation, and a Lagrangian-based dilute spray model is used for the liquid-phase representation. The gas-turbine combustor flows are often characterized by a complex interaction between various physical processes associated with the interaction between the liquid and gas phases, droplet vaporization, turbulent mixing, heat release associated with chemical kinetics, radiative heat transfer associated with highly absorbing and radiating species, among others. The rate controlling processes often interact with each other at various disparate time 1 and length scales. In particular, turbulence plays an important role in determining the rates of mass and heat transfer, chemical reactions, and liquid phase evaporation in many practical combustion devices.

Raju, M. S.↗
NASA NTRS2000

Chemical Evolution of Protostellar Matter

We review the chemical processes that are important in the evolution from a molecular cloud core to a protostellar disk. These cover both gas phase and gas grain interactions. The current observational and theoretical state of this field are discussed.

Langer, William D.↗
NASA NTRS1999

Chemical Evolution of Protostellar Matter

We reveiw the chemical processes that are improtant in the evolution form a molecular cloud core to a protostellar disk. These cover both gas phase and gas grain interactions. The current obsevational and theoretical state of this field are discussed.

protostellar↗
NASA NTRS2003

The Chemistry and Excitation of Water in Molecular Clouds

We model the chemistry and thermal balance of opaque molecular clouds exposed to an external flux of ultraviolet photons. We include the processes of gas phase and grain surface chemical reactions; in particular we examine closely the freezing of atoms and molecules onto grain surfaces and the desorption of molecules from grain surfaces as a function of depth into a molecular cloud. We find that on the surface of a molecular cloud the gas phase water abundances are low because of photodissociation, and the grain phase water (ice) abundance is low because of photodesorption of water from the grain surfaces. Deeper into the cloud, at A(sub v) less than or approximately 2-8 depending on the strength of the external ultraviolet flux, the gas phase water abundance increases with depth as the photodissociation rates decline due to dust attenuation of the ultraviolet field. However, beyond A(sub v) less than or approximately 2-8 the gas phase water abundance declines because the water freezes as water ice on the grains, and photodesorption is no longer effective in clearing the ice. A peak water abundance of about 10(exp -6) to 10(exp -7) occurs at about A(sub v) approximately 2-8, relatively independent of the gas density and the ultraviolet field. We show that such a model matches very closely the observations of the Submillimeter Wave Astronomical Satellite (SWAS), a NASA Small Explorer Mission. The model elucidates several mechanisms that have been recently invoked to understand gas phase chemistry in clouds, including-the freeze-out of molecules onto grain surface, the desorption of these molecules from the surfaces, and the abundance gradients of molecules as functions of depth into molecular clouds.

Hollenbach, David↗
NASA NTRS1993

Flame spread across liquid pools

For flame spread over liquid fuel pools, the existing literature suggests three gravitational influences: (1) liquid phase buoyant convection, delaying ignition and assisting flame spread; (2) hydrostatic pressure variation, due to variation in the liquid pool height caused by thermocapillary-induced convection; and (3) gas-phase buoyant convection in the opposite direction to the liquid phase motion. No current model accounts for all three influences. In fact, prior to this work, there was no ability to determine whether ignition delay times and flame spread rates would be greater or lesser in low gravity. Flame spread over liquid fuel pools is most commonly characterized by the relationship of the initial pool temperature to the fuel's idealized flash point temperature, with four or five separate characteristic regimes having been identified. In the uniform spread regime, control has been attributed to: (1) gas-phase conduction and radiation; (2) gas-phase conduction only; (3) gas-phase convection and liquid conduction, and most recently (4) liquid convection ahead of the flame. Suggestions were made that the liquid convection was owed to both vuoyancy and thermocapillarity. Of special interest to this work is the determination of whether, and under what conditions, pulsating spread can and will occur in microgravity in the absence of buoyant flows in both phases. The approach we have taken to resolving the importance of buoyancy for these flames is: (1) normal gravity experiments and advanced diagnostics; (2) microgravity experiments; and (3) numerical modelling at arbitrary gravitational level.

Ross, Howard↗
DOE OSTI2024

Theoretical analysis of the OH-initiated atmospheric oxidation reactions of imidazole

Imidazoles are present in Earth's atmosphere in both the gas-phase and in aerosol particles, and have been implicated in the formation of brown carbon aerosols. The gas-phase oxidation of imidazole (C 3 N 2 H 4 ) by hydroxyl radicals has been shown to be preferentially initiated via OH-addition to position C5, producing the 5-hydroxyimidazolyl radical adduct. However, the fate of this adduct upon reaction with O 2 in the atmospheric gas-phase is currently unknown. We employed an automated approach to investigate the reaction mechanism and kinetics of imidazole's OH-initiated gas-phase oxidation, in the presence of O 2 and NO x . The explored mechanism included reactions available to first-generation RO 2 radicals, as well as alkoxyl radicals produced from RO 2 + NO reactions. Product distributions were obtained by assembling and solving a master equation, under conditions relevant to the Earth's atmosphere. Our calculations show a complex, branched reaction mechanism, which nevertheless converges to yield two major closed-shell products: 4H-imidazol-4-ol (4H-4ol) and N,N′-diformylformamidine (FMF). At 298 K and 1 atm, we estimate the yields of 4H-4ol and FMF from imidazole oxidation initiated via OH-addition to position C5 to be 34 : 66, 12 : 85 and 2 : 95 under 10 ppt, 100 ppt and 1 ppb of NO respectively. This work also revealed O 2 -migration pathways between the α-N-imino peroxyl radical isomers. This reaction channel is fast for the first-generation RO 2 radicals, and may be important during the atmospheric oxidation of other unsaturated organic nitrogen compounds as well.

Almeida, Thomas Golin↗
NASA NTRS2003

Combustion Of Moving Droplets And Of Droplets Suspended Within A Convective Environment: Transient Numerical Results

The problem considered is that of a single-component liquid fuel (n-heptane) droplet undergoing evaporation and combustion in a hot, convective, low pressure, zero-gravity environment of infinite expanse. For a moving droplet, the relative velocity (U(sub infinity)) between the droplet and freestream is subject to change due to the influence of the drag force on the droplet. For a suspended droplet, the relative velocity is kept constant. The governing equations for the gas-phase and the liquid-phase consist of the unsteady, axisymmetric equations of mass, momentum, species (gas-phase only) and energy conservation. Interfacial conservation equations are employed to couple the two phases. Variable properties are used in the gas- and liquid-phase. Multicomponent diffusion in the gas-phase is accounted for by solving the Stefan-Maxwell equations for the species diffusion velocities. A one-step overall reaction is used to model the combustion. The governing equations are discretized using the finite volume and SIMPLEC methods. A colocated grid is adopted. Hyperbolic tangent stretching functions are used to concentrate grid points near the fore and aft lines of symmetry and at the droplet surface in both the gas- and liquid-phase. The discretization equations are solved using the ADI method with the TDMA used on each line of the two alternating directions. Iterations are performed within each time-step until convergence is achieved. The grid spacing, size of the computational domain and time-step were tested to ensure that all solutions are independent of these parameters. A detailed discussion of the numerical model is given.

Gogos, George↗
NASA NTRS1993

Velocity and drop size measurements in a swirl-stabilized, combusting spray

Velocity and drop size measurements are reported for a swirl-stabilized, combusting spray. For the gas phase, three components of mean and fluctuating velocity are reported. For the droplets, three components of mean and fluctuating velocity, diameter, and number flux are reported. The liquid fuel utilized for all the tests was heptane. The fuel was injected using an air-assist atomizer. The combustor configuration consisted of a center-mounted, air-assist atomizer surrounded by a coflowing air stream. Both the coflow and the atomizing air streams were passed through 45 degree swirlers. The swirl was imparted to both streams in the same direction. The combustion occurred unconfined in stagnant surroundings. The nonintrusive measurements were obtained using a two-component phase/Doppler particle analyzer. The laser-based instrument measured two components of velocity as well as droplet size at a particular point. Gas phase measurements were obtained by seeding the air streams with nominal 1 micron size aluminum-oxide particles and using the measured velocity from that size to represent the gas phase velocity. The atomizing air, coflow air, and ambient surroundings were all seeded with the aluminum-oxide particles to prevent biasing. Measurements are reported at an axial distance of 5 mm from the nozzle. Isothermal single-phase gas velocities are also reported for comparison with the combusting case.

Bulzan, Daniel L.↗
NASA NTRS1994

Theoretical Basis for Estimated Test Times and Conditions for Drop Tower and Space-Based Droplet Burning Experiments With Methanol and N-Heptane

In order to develop an extensive envelope of test conditions for NASA's space-based Droplet Combustion Experiment (DCE) as well those droplet experiments which can be performed using a drop tower, the transient vaporization and combustion of methanol and n-heptane droplets were simulated using a recently developed fully time-dependent, spherically symmetric droplet combustion model. The transient vaporization of methanol and n-heptane was modeled to characterize the instantaneous gas phase composition surrounding the droplet prior to the introduction of an ignition source. The results for methanol/air showed that the entire gas phase surrounding a 2 mm methanol droplet deployed in zero-g .quickly falls outside the lean flammability limit. The gas phase surrounding an identically-sized n-heptane droplet, on the other hand, remains flammable. The combustion of methanol was then modeled considering a detailed gas phase chemical kinetic mechanism (168 steps, 26 species) and the effect of the dissolution of flame-generated water into the liquid droplet. These results were used to determine the critical ignition diameter required to achieve quasi-steady droplet combustion in a given oxidizing environment. For droplet diameters greater than the critical ignition diameter, the model predicted a finite diameter at which the flame would extinguish. These extinction diameters were found to vary significantly with initial droplet diameter. This phenomenon appears to be unique to the transient heat transfer, mass transfer and chemical kinetics of the system and thus has not been reported elsewhere to date. The extinction diameter was also shown to vary significantly with the liquid phase Lewis number since the amount of water present in the droplet at extinction is largely governed by the rate at which water is transported into the droplet via mass diffusion. Finally, the numerical results for n-heptane combustion were obtained using both 2 step and 96 step semi-emperical chemical kinetic mechanisms. Neither mechanism exhibited the variation of extinction diameter with initial diameter.

Marchese, Anthony J.↗
NASA NTRS1987

Kinetics of mineral condensation in the solar nebula

A natural extension of the type of gas-mineral-melt condensation experiments is to study the gas-mineral-melt reaction process by controlling the reaction times of appropriate gas compositions with silicate materials. In a condensing and vaporizing gas-solid system, important processes that could influence the composition of and speciation in the gas phase are the kinetics of vaporization of components from silicate crystals and melts. The high vacuum attainable in the space station would provide an environment for studying these processes at gas pressures much lower than those obtainable in experimental devices operated at terrestrial conditions in which the gas phase and mineral or melt would be allowed to come to exchange equilibrium. Further experiments would be performed at variable gas flow rates to simulate disequilibrium vapor fractionation. In this type of experiment it is desirable to analyze directly the species in the gas phase in equilibrium with the condensed silicate material. This analytical method would provide a direct determination of the species present in the gas phase. Currently, the notion of gas speciation is based on calculations from thermodynamic data. The proposed experiments require similar furnace designs and use similar experimental starting compositions, pressures, and temperatures as those described by Mysen.

Grove, T. L.↗
NASA NTRS1998

The Role of Grain Surface Reactions in the Chemistry of Star Forming Regions

The importance of reactions at the surfaces of dust grains has long been recognized to be one of the two main chemical processes that form molecules in cold, dark interstellar clouds where simple, saturated (fully-hydrogenated) molecules such as H2 water, methanol, H2CO, H2S, ammonia and CH4 are present in quantities far too high to be consistent with their extremely low gas phase formation rates. In cold dark regions of interstellar space, dust grains provide a substrate onto which gas-phase species can accrete and react. Grains provide a "third body" or a sink for the energy released in the exothermic reactions that form chemical bonds. In essence, the surfaces of dust grains open up alternative reaction pathways to form observed molecules whose abundances cannot be explained with gas-phase chemistry alone. This concept is taken one step further in this work: instead of merely acting as a substrate onto which radicals and molecules may physically adsorb, some grains may actively participate in the reaction itself, forming chemical bonds with the accreting species. Until recently, surface chemical reactions had not been thought to be important in warm circumstellar media because adspecies rapidly desorb from grains at very low temperatures; thus, the residence times of molecules and radicals on the surface of grains at all but the lowest temperatures are far too short to allow these reactions to occur. However, if the adspecies could adsorb more strongly, via a true chemical bond with surfaces of some dust grains, then grain surface reactions will play an important role in warm circumstellar regions as well. In this work, the surface-catalyzed reaction CO + 3 H2 yields CH4 + H2O is studied in the context that it may be very effective at converting the inorganic molecule CO into the simplest organic compound, methane. H2 and CO are the most abundant molecules in space, and the reaction converting them to methane, while kinetically inhibited in the gas phase under most astrophysical conditions, is catalyzed by iron, an abundant constituent of interstellar dust. At temperatures between 600 and 1000 K, which occur in the outflows from red giants and near luminous young stars, this reaction readily proceeds in the presence of an iron catalyst. Iron is one of the more abundant elements composing interstellar dust. Its abundance relative to hydrogen is almost that of silicon, and both of these heavy elements are primarily locked up in dust at all but the hottest regions of interstellar space.

Kress, M. E.↗