Search NASA⌕ Search

SEARCH · Search NASA

Results for “kinetic modeling”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Large eddy simulations and direct numerical simulations of high speed turbulent reacting flows

This research is involved with the implementation of advanced computational schemes based on large eddy simulations (LES) and direct numerical simulations (DNS) to study the phenomenon of mixing and its coupling with chemical reactions in compressible turbulent flows. In the efforts related to LES, a research program to extend the present capabilities of this method was initiated for the treatment of chemically reacting flows. In the DNS efforts, the focus is on detailed investigations of the effects of compressibility, heat release, and non-equilibrium kinetics modelings in high speed reacting flows. Emphasis was on the simulations of simple flows, namely homogeneous compressible flows, and temporally developing high speed mixing layers.

Givi, Peyman↗
NASA NTRS1991

Large eddy simulations and direct numerical simulations of high speed turbulent reacting flows

This research is involved with the implementations of advanced computational schemes based on large eddy simulations (LES) and direct numerical simulations (DNS) to study the phenomenon of mixing and its coupling with chemical reactions in compressible turbulent flows. In the efforts related to LES, a research program was initiated to extend the present capabilities of this method for the treatment of chemically reacting flows, whereas in the DNS efforts, focus was on detailed investigations of the effects of compressibility, heat release, and nonequilibrium kinetics modeling in high speed reacting flows. The efforts to date were primarily focussed on simulations of simple flows, namely, homogeneous compressible flows and temporally developing hign speed mixing layers. A summary of the accomplishments is provided.

Givi, Peyman↗
NASA NTRS1991

A numerical study of shock wave/boundary layer interaction in nonequilibrium chemically reacting air - The effects of catalytic walls

This paper presents a numerical study that investigate the effects of nonequilibrium chemistry, and in particular, wall catalycity on the separated flow region generated by an oblique shock wave impinging upon a flat plate boundary layer. To obtain a solution to this problem, the full two dimensional Navier-Stokes equations were solved using MacCormack's predictor-corrector time dependent technique on a rectangular grid. Nonequilibrium chemistry was included by utilizing the 5 species, 17 reaction modified Dunn-Kang chemical kinetics model. Separate results were obtained for: calorically perfect, chemically reacting - noncatalytic wall, and chemically reacting - fully catalytic wall cases, for a given set of flow conditions. A direct comparison of all three cases revealed a slight decrease in the peak heat transfer for the noncatalytic wall case, as compared to the calorically perfect case. On the other hand, the fully catalytic wall case had a tremendous increase in the peak surface heat transfer. It is concluded that, for the particular conditons treated here (nearly frozen flow in the free stream), the effects of the nonequilibrium chemically reacting flow on the shock-wave/boundary-layer interaction depend critically on the catalycity of the wall, having virtually no effect for the case of a noncatalytic wall, and exerting a tremendous effect for a fully catalytic wall.

Grumet, Adam A.↗
NASA NTRS1991

Characterization of thermoplastic polyimide NEW-TPI

Thermal and rheological properties of a commercial thermoplastic polyimide, NEW-TPI, were characterized. The as-received material possesses initially a transient crystallite form with a bimodal distribution in peak melting temperatures. After the meltings of the initial crystallite structures, the sample can be recrystallized by various thermal treatments. A bimodal or single-modal melting peak distribution is formed for annealing temperatures below or above 360 C, respectively. The recrystallized crystallinities are all transient in nature. The polymers are unable to be recrystallized after being subjected to elevated temperature annealing above 450 C. The recrystallization mechanism was postulated, and a simple kinetics model was found to describe the behavior satisfactorily under conditions of prolonged thermal annealing.

Hou, T. H.↗
NASA NTRS1991

Atomic oxygen testing with thermal atom systems - A critical evaluation

The use of thermal atom (kinetic energy near 0.04 eV) test methods as a materials selection and screening technique for LEO spacecraft is critically evaluated in this paper. The physics and chemistry of the thermal atom environments are shown to produce specific mass loss rates (mg/sq cm per min) and reaction efficiencies (Re) radically different from those produced in the LEO environment. A response surface study shows that specific mass loss rates change rapidly with plasma-asher parameters and seldom agree with flight data. FEP Teflon is shown to react by a different mechanism than Kapton, polyethylene, or graphite. The Re (Re = volume of material removed/oxygen atom) of Kapton, polyethylene, Mylar, Tedlar, FEP Teflon, and graphite measured in a flowing afterglow apparatus are 0.001 to 0.0001 those measured with high-energy atoms (kinetic energy 1.5 eV or greater) in beam systems or in LEO. The effect of sample temperature and atom impact energy on Re is discussed. A simple kinetic model describing the reaction of atomic oxygen with polymer surfaces is developed. Guidelines and recommendations for thermal atom testing and interpretation of test results are presented.

Koontz, Steven L.↗
NASA NTRS1992

The compositional structure and the effects of exothermicity in an unpremixed planar jet flame

Results are presented of direct numerical simulations (DNS) of a randomly perturbed compressible, spatially developing planar jet under the influence of a finite rate Arrhenius chemical reaction of the type F + O yields Product + Heat. The objectives of the simulations are to assess the compositional structure of the flame and to determine the influence of reaction exothermicity by means of statistical sampling of the data generated by DNS. It is shown that even with this idealized kinetics model, the simulated results exhibit features in accordance with experimental data. These results indicate that the Damkoehler number is an important parameter in determining the statistical composition of the reacting field, and that the results are insensitive to the mechanism by which this parameter is varied. It is demonstrated that as the intensity of mixing is increased and the effect of finite rate chemistry is more pronounced, the magnitudes of the ensemble mean and rms of the product mass fraction decrease, and those of the reactants mass fraction increase. Also, at higher mixing rates the joint probability density functions of the reactants' mass fractions shift towards higher values within the composition domain indicating a lower reactedness. These trends are consistent with those observed experimentally and are very useful in portraying the statistical structure of non-equilibrium diffusion flames. The DNS generated data are also utilized to examine the applicability of the 'laminar diffusion flamelet model' in predicting the rate of the reactant conversion with finite rate chemistry. This examination indicates that the bounds of the product formation scale reasonably well with those obtained by the flamelet model. However, in the range of the relatively low values of the Damkoehler numbers considered, the scatter of the results is substantially more than that to be completely determined by the closure.

Steinberger, C. J.↗
NASA NTRS1991

A review of the kinetic detail required for accurate predictions of normal shock waves

Several aspects of the kinetic models used in the collision phase of Monte Carlo direct simulations have been studied. Accurate molecular velocity distribution function predictions require a significantly increased number of computational cells in one maximum slope shock thickness, compared to predictions of macroscopic properties. The shape of the highly repulsive portion of the interatomic potential for argon is not well modeled by conventional interatomic potentials; this portion of the potential controls high Mach number shock thickness predictions, indicating that the specification of the energetic repulsive portion of interatomic or intermolecular potentials must be chosen with care for correct modeling of nonequilibrium flows at high temperatures. It has been shown for inverse power potentials that the assumption of variable hard sphere scattering provides accurate predictions of the macroscopic properties in shock waves, by comparison with simulations in which differential scattering is employed in the collision phase. On the other hand, velocity distribution functions are not well predicted by the variable hard sphere scattering model for softer potentials at higher Mach numbers.

Muntz, E. P.↗
NASA NTRS1992

Solar wind-magnetosphere interaction as simulated by a 3-D EM particle code

We present here our first results of simulating the solar wind-magnetosphere interaction with a new three-dimensional electromagnetic particle code. Hitherto such global simulations were done with MHD codes while lower-dimensional particle or hybrid codes served to account for microscopic processes and such transport parameters as have to be introduced ad hoc in MHD. Our kinetic model attempts to combine the macroscopic and microscopic tasks. It relies only on the Maxwell curl equation and the Lorentz equation for particles, which are ideally suited for computers. The preliminary results shown here are for an unmagnetized solar wind plasma streaming past a dipolar magnetic field. The results show the formation of a bow shock and a magnetotail, the penetration of energetic particles into cusp and radiation belt regions, and dawn-dusk asymmetries.

Buneman, Oscar↗
NASA NTRS1993

Computation of unsteady shock-induced combustion using logarithmic species conservation equations

Numerical simulations are used to investigate periodic combustion instabilities observed in ballistic-range experiments of blunt bodies flying at supersonic speeds through hydrogen-air mixtures. The computations are validated by comparing experimental shadowgraphs with shadowgraphs created from the computed flowfields and by comparing the experimentally measured instability frequencies with computed frequencies. The numerical simulations use a logarithmic transformation of the species conservation equations as a way to reduce the grid requirements for computing shock-induced combustion. The transformation is applied to the Euler equations coupled to a detailed hydrogen-air chemical reaction mechanism with 13 species and 33 reactions. The resulting differential equations are solved using a finite volume formulation and a two-step predictor-corrector scheme to advance the solution in time. Results are presented and compared for both a flux-vector splitting scheme and an upwind TVD scheme. The computations add insight to the physical processes observed in the experiments and the numerical methods needed to simulate them. The usefulness of the ballistic-range experiments for the validation of numerical techniques and chemical kinetic models is also demonstrated.

Wilson, Gregory J.↗
NASA NTRS1993

Shaping of the magnetotail from the mantle - Global and local structuring

Kinetic modeling of the properties of magnetotail formation from a plasma mantle source are discussed, and a unified view of the structure of the central part of the magnetotail plasma sheet as well as the structure of its boundary layer is developed. The Tsyganenko magnetic field model for quiet periods of magnetospheric activity is used to trace trajectories of mantle protons in the presence of a uniform dawn-dusk electric field. The present model shows the evolution of the global structure of the tail with a clearly defined central plasma sheet and plasma sheet boundary layer developing from its beginnings as a plasma 'nucleus' in the distant tail current sheet. This large-scale restructuring is accompanied by the creation of small-scale features in the particle distribution functions. It is also shown that complementary ring distribution structures should also exist in the central plasma sheet. The ion distribution functions in the central plasma sheet should take a rather specific form in velocity space with loss regions oriented predominantly orthogonal to the magnetic field.

Ashour-Abdalla, Maha↗
NASA NTRS1992

Catalytic oxidation for treatment of ECLSS and PMMS waste streams

Catalytic oxidation was added to the baseline multifiltration technology for use on the Space Station Freedom in order to convert low-molecular weight organic waste components such as alcohols, aldehydes, ketones, amides, and thiocarbamides to CO2 at low temperature (121 C), thereby reducing the total organic carbon (TOC) to below 500 ppb. The rate of reaction for the catalytic oxidation of aqueous organics to CO2 and water depends primarily upon the catalyst, temperature, and concentration of reactants. This paper describes a kinetic study conducted to determine the impact of each of these parameters upon the reaction rate. The results indicate that a classic kinetic model, the Langmuir-Hinshelwood rate equation for heterogeneous catalysis, can accurately represent the functional dependencies of this rate.

Akse, James R.↗
NASA NTRS1993

The compositional structure and the effects of exothermicity in a nonpremixed planar jet flame

Results are presented of direct numerical simulation (DNS) of a randomly perturbed compressible, spatially developing two-dimensional planar jet under the influence of a finite rate chemical reaction of the type F + O yields product. The objectives of the simulations are to assess the compositional structure of the flame and to determine the influence of reaction exothermicity by means of statistical sampling of the DNS generated data. It is shown that even with this idealized kinetics model the simulated results exhibit features in accord with experimental data. These results indicate that the Damkohler number is an important parameter in determining the statistical composition of the reacting field and that the results are not very sensitive to the mechanism by which this parameter is varied. It is demonstrated that as the intensity of mixing is increased and the effect of finite rate chemistry is more pronounced, the magnitudes of the ensemble mean and variance of the product mass fraction decrease and those of the reactants' mass fraction increase. Also, at higher mixing rates the joint probability density functions of the reactants' mass fractions shift towards higher values within the composition domain, indicating a lower reactedness.

Steinberger, C. J.↗
NASA NTRS1993

Solar wind-magnetosphere interaction as simulated by a 3D, EM particle code

The results of simulating the solar wind-magnetosphere interaction with a three dimensional, electromagnetic (EM) particle code are presented. Hitherto such global simulations were done with magnetohydrodynamic (MHD) codes while lower dimensional particle or hybrid codes served to account for microscopic processes and such transport parameters as have to be introduced ad hoc in MHD. The kinetic model combines macroscopic and microscopic tasks. It relies only on the Maxwell curl equations and the Lorentz equation for particles. The preliminary results are for an unmagnetized solar wind plasma streaming past a dipolar magnetic field. The results show the formation of a bow shock and a magnetotail, the penetration of energetic particles into cusp and radiation belt regions, and dawn to dusk asymmetries.

Buneman, O.↗
NASA NTRS1993

The Structure and Stability of Laminar Flames

This review paper on the structure and stability of laminar flames considers such phenomena as heterogeneous mixtures, acoustic instabilities, flame balls and related phenomena, radiation effects, the iodate oxidation of arsenous acid and 'liquid flame fronts', approximate kinetic mechanisms and asymptotic approximations, and tribrachial or triple flames. The topics examined here indicate three themes that may play an important role in laminar flame theory in the coming years: microgravity experiments, kinetic modeling, and turbulence modeling. In the discussion of microgravity experiments it is pointed out that access to drop towers, the Space Shuttle and, in due course, the Space Station Freedom will encourage the development of experiments well designed to isolate the fundamental physics of combustion.

Buckmaster, John↗
NASA NTRS1994

Magnetospheric space plasma investigations

A time dependent semi-kinetic model that includes self collisions and ion-neutral collisions and chemistry was developed. Light ion outflow in the polar cap transition region was modeled and compared with data results. A model study of wave heating of O+ ions in the topside transition region was carried out using a code which does local calculations that include ion-neutral and Coulomb self collisions as well as production and loss of O+. Another project is a statistical study of hydrogen spin curve characteristics in the polar cap. A statistical study of the latitudinal distribution of core plasmas along the L=4.6 field line using DE-1/RIMS data was completed. A short paper on dual spacecraft estimates of ion temperature profiles and heat flows in the plasmasphere ionosphere system was prepared. An automated processing code was used to process RIMS data from 1981 to 1984.

Comfort, Richard H.↗
NASA NTRS1995

A kinetic study of solar wind electrons in the transition region from collision dominated to collisionless flow

We have studied the evolution of the velocity distribution function of a test population of electrons in the solar corona and inner solar wind region, using a recently developed kinetic model. The model solves the time dependent, linear transport equation, with a Fokker-Planck collision operator to describe Coulomb collisions between the 'test population' and a thermal background of charged particles, using a finite differencing scheme. The model provides information on how non-Maxwellian features develop in the distribution function in the transition region from collision dominated to collisionless flow. By taking moments of the distribution the evolution of higher order moments, such as the heat flow, can be studied.

Lie-Svendsen, O.↗
NASA NTRS1975

The Kinetics of the Trimethoxyboroxine-Induced Thermal Polymerization of Phenyl Glycidyl Ether

The kinetics of the bulk thermal polymerization of phenyl glycidyl ether induced by trimethoxyboroxine were investigated. Infrared absorption spectroscopy and gel permeation chromatography were used to follow the course of polymerization, while proton and boron-2 NMR spectroscopy were used to support the kinetic model developed. The postulated mechanism involves a fast-initiated, non-stationary cationic polymerization with five elementary steps, including spontaneous and monomer transfer as well as a termination reaction. The trimethoxyboroxine was found to be incorporated into the structure of the cured polymer. Tile polymerization was followed at several temperatures and with several ratios of initial concentrations of trimethoxyboroxine to phenyl glycidyl ether.

Lopata, Eugene S.↗
NASA NTRS1999

Experimental Study of Nonane and Nonane/Hexanol Fuel Droplet Combustion in Microgravity

In this presentation we review experiments carried out on nonane droplets, and a nonane/hexanol droplet, burning in microgravity to promote spherical symmetry. The nonane/hexanol combination was selected for the following reasons: 1) the spherically symmetric burning history of nonane and nonane/hexanol mixtures has not been previously studied; 2) measurements of the burning history of pure nonane droplets in air extend the existing data base of spherical droplet flames of soot-producing fuels which are useful for testing detailed chemical kinetic models of the spherically symmetric droplet burning process; 3) nonane and hexanol have almost identical boiling points so heterogeneous nucleation on a support fiber is unlikely; 4) hexanol does not have a strong propensity for water vapor absorption; 5) hexanol produces less soot than nonane so that mixtures of nonane and hexanol should show an effect of composition on soot formation. The far-field gas was atmospheric pressure air at room temperature. The evolution of droplet diameter was measured using high speed cine photography of spark-ignited droplets within a confined volume in a drop tower. The importance of soot formation during droplet combustion is derived from the fact that soot is the basic component of the particulate emission process that occurs in spray combustion. The complexity of soot formation motivates a one-dimensional transport condition which is advantageous for modeling. Recent numerical studies of droplet combustion have assumed spherical symmetry when incorporating such aspects as detailed chemistry and radiation, though soot formation itself has not yet been included in any droplet combustion modeling effort. If radiation is not important as would be the case for'small' droplets (i.e., droplets with initial diameters less than about ]mm), soot formation can lead to a nonlinear burning process and a time-varying burning rate, (non-linear burning of a non-sooting fuel like methanol is due to water vapor absorption on the droplet. The classical quasi-steady droplet burning theory predicts a linear evolution of droplet diameter in scaled coordinates for any fuel type.

Avedisian, C. T.↗