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At least 991 records · Page 55
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NASA NTRS1985

Fundamental Studies of Droplet Combustion at Reduced Gravity

Reduced gravity is used to carry out scientific investigations of droplet combustion. In earlier work a preliminary conceptual design had been developed for droplet burning experiments for Spacelab. Refinements of the earlier work with special consideration given to possible experiments for Mid-Deck Modules of the Space Shuttle is discussed. A re-evaluation of suitable experiments on droplet combustion is done to ascertain whether influences of reduced buoyancy on time-dependent processes of heat and mass transfer in the gas or in the liquid on extinction processes or on disruptive burning phenomena are best suited for further investigation. Components of the experimental apparatus, which include a droplet dispensing system, a droplet positioning system, a droplet ignition system and provision for recording, primarily photographically, the combustion of the individual droplet in a chamber having a controlled gas atmosphere, are studied to determine optimal approaches to the experimental design. Methods for data reduction and interpretation are being made more specific, particularly in the context of an objective to calculate overall gas-phase chemical-kinetic parameters for the combustion from observations of extinction conditions in different atmospheres.

Williams, F. A.↗
NASA NTRS1985

Infrared emission from desorbed NO2(*) and NO(*)

Infrared photons from the radiative cascade accompany both the gas phase NO2 continuum chemiluminescence (which originates from its 2B2 and 2B1 states) and the NO beta bands. When these upper electronic states are excited by recombination/desorption at surfaces of low Earth orbiting spacecraft, similar IR emission spectrums will be observed. The principal NO2 features (other than the long wavelength tail of its electronic transitions) are the nu sub 3 fundamental sequence near 6.2 microns and nu sub 1 + nu sub 3 intercombination bands near 3.6 microns; NO would emit the delta v=1 and delta v=2 systems above 5.3 and 2.7 microns. Because of the long radiative lifetimes of the upper vibrational states, the infrared radiances in projections parallel to the vehicle surface (which we estimate) are substantially less than those of the visible and ultraviolet glows.

Kofsky, I. L.↗
NASA NTRS1985

Oxides of Nitrogen Emissions from the Combustion of Monodisperse Liquid Fuel Sprays

A study of NO sub x formation in a one dimensional monodisperse spray combustion system, which allowed independent droplet size variation, was conducted. Temperature, NO and NO sub x concentrations were measured in the transition region, encompassing a 26 to 74 micron droplet size range. Emission measurements of hydrocarbons, carbon monoxide, carbon dioxide and oxygen were also made. The equivalence ratio was varied between 0.8 and 1.2 for the fuels used, including methanol, isopropanaol, n-heptane and n-octane. Pyridine and pyrrole were added to n-heptane as nitrogen-containing additives in order to simulate synthetic fuels. Results obtained from the postflame regions using the pure fuels indicate an optimum droplet size in the range of 43 to 58 microns for minimizing NO sub x production. For the fuels examined, the maximum NO sub x reductions relative to the small droplet size limit were about 10 to 20% for lean and 20 to 30% for stoichiometric and rich mixtures. This behavior is attributed to droplet interactions and the transition from diffusive to premixed type of burning. Preflame vaporization controls the gas phase stoichiometry which has a significant effect on the volume of the hot gases surrounding a fuel droplet, where NO sub x is formed.

Sarv, H.↗
NASA NTRS1986

Physical and numerical sources of computational inefficiency in integration of chemical kinetic rate equations: Etiology, treatment and prognosis

The design of a very fast, automatic black-box code for homogeneous, gas-phase chemical kinetics problems requires an understanding of the physical and numerical sources of computational inefficiency. Some major sources reviewed in this report are stiffness of the governing ordinary differential equations (ODE's) and its detection, choice of appropriate method (i.e., integration algorithm plus step-size control strategy), nonphysical initial conditions, and too frequent evaluation of thermochemical and kinetic properties. Specific techniques are recommended (and some advised against) for improving or overcoming the identified problem areas. It is argued that, because reactive species increase exponentially with time during induction, and all species exhibit asymptotic, exponential decay with time during equilibration, exponential-fitted integration algorithms are inherently more accurate for kinetics modeling than classical, polynomial-interpolant methods for the same computational work. But current codes using the exponential-fitted method lack the sophisticated stepsize-control logic of existing black-box ODE solver codes, such as EPISODE and LSODE. The ultimate chemical kinetics code does not exist yet, but the general characteristics of such a code are becoming apparent.

Pratt, D. T.↗
NASA NTRS1985

Infrared and far-infrared laser magnetic resonance spectroscopy of the GeH radical - Determination of ground state parameters

The GeH radical has been detected in its ground 2 Pi state in the gas phase reaction of fluorine atoms with GeH4 by laser magnetic resonance techniques. Rotational transitions within both 2 Pi 1/2 and 2 Pi 3/2 manifolds have been observed at far-infrared wavelengths and rotational transitions between the two fine structure components have been detected at infrared wavelengths (10 microns). Signals have been observed for all five naturally occurring isotopes of germanium. Nuclear hyperfine structure for H-1 and Ge-73 has also been observed. The data for the dominant isotope (/Ge-74/H) have been fitted to within experimental error by an effective Hamiltonian to give a set of molecular parameters for the X 2 Pi state which is very nearly complete. In addition, the dipole moment of GeH in its ground state has been estimated from the relative intensities of electric and magnetic dipole transitions in the 10 micron spectrum to be 1.24(+ or - 0.10) D.

Brown, J. M.↗
NASA NTRS1985

Time-dependent interstellar chemistry

Some current problems in interstellar chemistry are considered in the context of time-dependent calculations. The limitations of steady-state models of interstellar gas-phase chemistry are discussed, and attempts to chemically date interstellar clouds are reviewed. The importance of studying the physical and chemical properties of interstellar dust is emphasized. Finally, the results of a series of studies of collapsing clouds are described.

Glassgold, A. E.↗
NASA NTRS1986

Chemistry of chlorine in dense interstellar clouds

Laboratory experiments and theoretical modeling show that the chemistry of chlorine is fairly simple in dense interstellar clouds, with Cl and HCl as the only species whose fractional abundances are significant. The estimated fraction of gas-phase chlorine present as HCl lies between 25-65 percent, in good agreement with the recent observations of the ground state HCl transition by Blake, Keene, and Philips (1985). These results, combined with the observational limits on HCl, indicate that chlorine is not severely depleted in dense interstellar clouds.

Blake, G. A.↗
NASA NTRS1986

Measurements of X-ray scattering from interstellar grains

The results of an Einstein Observatory imaging proportional counter investigation of the halos produced by the scattering of X-rays from interstellar grains of four compact Galactic (low-latitude) and two extragalactic (high-latitude) X-ray sources are reported. It is found that the intensity of these halos correlates well with the amount of visual extinction and the distance through the Galaxy's dust layer: quantities which measure the column density of grains to a given source. From this result, and from the size and shape of the halos from the Galactic sources, a number of grain parameters are derived in the context of two alternate grain size distributions: the Mathis-Rumpl-Nordsieck (MRN) and the Oort-van de Hulst distributions, either of which is capable of producing the observed halos. Though no single grain size is capable of producing the shapes observed for these halos, a mean size of about 0.1 micron and a number density of about 10 to the -12th grains/cu cm produce the correct halo intensities. From the additional parameters determined from the size and shape of the halos, results concerning the amount of material in grains which are in general agreement with the observed depletion of the elements from the gas phase of the interstellar medium, as well as with the detailed predictions of the MRN size distribution, are found.

Mauche, C. W.↗
NASA NTRS1986

New integration techniques for chemical kinetic rate equations. II - Accuracy comparison

A comparison of the accuracy of several techniques recently developed for solving stiff differential equations is presented. The techniques examined include two general purpose codes EEPISODE and LSODE developed for an arbitrary system of ordinary differential equations, and three specialized codes CHEMEQ, CREKID, and GCKP84 developed specifically to solve chemical kinetic rate equations. The accuracy comparisons are made by applying these solution procedures to two practical combustion kinetics problems. Both problems describe adiabatic, homogeneous, gas phase chemical reactions at constant pressure, and include all three combustion regimes: induction heat release, and equilibration. The comparisons show that LSODE is the most efficient code - in the sense that it requires the least computational work to attain a specified accuracy level. An important finding is that an iterative solution of the algebraic enthalpy conservation equation for the temperature can be more accurate and efficient than computing the temperature by integrating its time derivative.

Radhakrishnan, K.↗
NASA NTRS1986

Xe isotopic fractionation in a cathodeless glow discharge

Results are reported on the isotopic composition of Xe processed in cathodeless glow discharges in rarefied air at pressures of 20-40 microns Hg, in the presence of activated charcoal and in empty pyrex containers. Residual gas phase Xe and trapped Xe were found to be fractionated, with the trapped Xe fractionated up to 1 percent per amu. A model is presented for the fractionating process in which Xe ions are simultaneously implanted and sputtered from substrate material, with a mass dependence favoring retention of the heavy isotopes in the substrate. Results of the investigation show that plasma synthesis of carbonaceous material is unnecessary for producing Xe fractionations, and that the fractionations observed in previous synthesis experiments are probably due to implantation of ions into the synthesized material.

Bernatowicz, T. J.↗
NASA NTRS1986

Evaluation of the importance of the relative velocity during evaporation of drops in sprays

The importance of relative velocity past individual drops composing a burning spray with an envelope flame is estimated by applying the Bellan and Cuffel (1983) spray evaporation model to an ambient flow going around the spray without penetrating it. The model assumes a spherical spray composed of monodisperse uniformly distributed droplets which all move at the same speed, and relative gas/spray velocities, and spray radii used were representative of boiler and furnace operations. Numerical calculations indicate that the spray is more prone to ambient flow penetration for leaner mixtures (particularly for n = 1/cu cm), lower initial temperatures of gas phase and droplet, and more dilute spray configurations.

Bellan, J.↗
NASA NTRS1986

New integration techniques for chemical kinetic rate equations. I - Efficiency comparison

A comparison of the efficiency of several recently developed numerical techniques for solving chemical kinetic rate equations is presented. The solution procedures examined include two general-purpose codes, EPISODE and LSODE, developed as multipurpose differential equation solvers, and three specialzed codes, CHEMEQ, CREK1D, and GCKP84, developed specifically for chemical kinetics. The efficiency comparison is made by applying these codes to two practical combustion kinetics problems. Both problems describe adiabatic, constant-pressure, gas-phase chemical reactions and include all three combustion regimes: induction, heat release, and equilibration. The comparison shows that LSODE is the fastest routine currently available for solving chemical kinetic rate equations. An important finding is that an iterative solution of the algebraic enthalpy conservation equation for temperature can be significantly faster than evaluation of the temperature by integration of its time derivative. Significant increases in computational speed are realized by updating the reaction rate constants only when the temperature change exceeds an amount Delta-T that is problem dependent. An approximate expression for the automatic evaluation of Delta-T is presented and is shown to result in increased computational speed.

Radhakrishnan, K.↗
NASA NTRS1985

Analysis of the effects of fuel spray characteristics on NO(x) formation

Results from experimental and analytical studies on NO(x) formation in a one-dimensional monodisperse spray combustion system are reported. In a previous investigation, an optimum droplet diameter was reported for minimizing NO(x) emissions. In this paper, the effects of enhanced prevaporization and droplet interactions in addition to droplet size effects on NO(x) formation are investigated by air preheating experiments. These phenomena have been incorporated into an analytical model which predicts NO(x) formed from the combustion of monodisperse fuel sprays. Both, experimental and computed results indicate the importance of the extent of prevaporization and droplet interactions on NO(x) production. Preflame vaporization controls the gas phase stoichiometry which has a significant effect on the volume of the hot gases surrounding a fuel droplet where NO(x) is formed. On the other hand, the release of fuel vapor from the droplet to the reaction zone is influenced by droplet interactions which reduce the volume of the hot gases and NO(x) production by bringing the flame closer to the droplet surface.

Sarv, H.↗
NASA NTRS1986

The high-temperature oxidation of aromatic hydrocarbons

Chemical mechanisms of the atmospheric pressure, high-temperature (875-1500 K) gas-phase oxidation of benzene, toluene, ethylbenzene, and propylbenzene are described and discussed. Oxidation trends evident from turbulent flow reactor experiments serve as the basis for the mechanisms of the oxidation of benzene and alkylated aromatics. The potential effects of very high temperatures and pressures on the chemistry of oxidation of aromatics are described. The oxidation of benzene and phenyl radical has been found to proceed in a stepwise C6-C5-C4 sequence. Species profiles obtained from flow-reactor experiments suggest that the oxidation of benzene and phenyl radical follows the generalized route via phenoxy, cyclopentadienyl and butadienyl radical. The oxidation of the C4 species branches into multiple pathways that yield copious amounts of ethylene and acetylene. Certain major trends are evident: the alkylated aromatics on initial attack either form styrene, benzyl radical or benzene. The styrene reacts further to produce a benzyl radical or benzene. The oxidation of an alkylated aromatic hydrocarbon appears eventually to reduce to the oxidation of either phenyl radical or benzene.

Brezinsky, K.↗
NASA NTRS1986

Particle dispersion in confined turbulent swirling flows

This paper reports a numerical investigation of confined swirling flows of gas-particle mixtures. A recently developed two-fluid, multiple-scale mixing model is applied to study the influence of particles on the intensity of the reverse flows of the gas phase and the effects of swirl on the particle dispersion in an annular expanding chamber under isothermal condition. The calculations were made for different swirl strength of injection of the annular jet into the mixing chamber. Results agree well qualitatively with experimental information available. It is also found that the calculated flow fields depend heavily on the prescription of the inlet flow conditions.

Chen, C. P.↗
NASA NTRS1985

Yields of O2(b 1 Sigma g +) from reactions of HO2

The production of O2(b 1 Sigma g +) has been monitored for several reactions of the HO2 radical at 300 K using a discharge-flow apparatus with resonance fluorescence and chemiluminescence detection. In all cases, the resulting quantum efficiencies were found to be less than 0.03. O2(b) was observed when F atoms were added to H2O2 in the gas phase. The signal strengths of O2(b) were proportional to initial concentrations of HO2 formed by the F + H2O2 reaction. Observed /O2(b)/, /HO2/, and /OH/ vs /F/0 were analyzed using a simple three-step mechanism and a more complete computer simulation with 22 reaction steps. The results indicate that the F + HO2 reaction yields O2(b) with an efficiency of (3.6 + or - 1.4) x 10 to the -3rd. Yields from the O + OH2 reaction were less than 0.02, indicating that this reaction cannot be a major source of the O2(b) emission observed in the earth's nightglow.

Keyser, L. F.↗
NASA NTRS1987

Computer Simulation of Ablator Charring

Transient response of thermal-protection material to heat applied to surface calculated using CHAP III computer program. Used to analyze chemical kinetics of pyrolysis gas in detail and examine pyrolysis reactions-in-depth. Analysis includes deposition of solid products produced by chemical reactions in gas phase. Uses modeling technique that approximates wide range of ablation problems. CHAP III written in FORTRAN IV.

Stroud, C. W.↗
NASA NTRS1987

Improved General Chemical-Kinetics Program

New general chemical-kinetics code, GCKP84, developed to compute progress of many types of complex gas-phase chemical reactions. Replaces original GCKP code and offers greatly improved efficiency, additional capabilities, and greater convenience. New code written in FORTRAN IV.

Bittker, David A.↗