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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 163 records · Page 9
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NASA NTRS1985

Operational overview of Wallops Island instrument intercomparison - Carbon monoxide, nitric oxide, and hydroxyl instrumentation

NASA has initiated the Global Tropospheric Experiment (GTE) for the study of the chemistry of the global troposphere. One phase of GTE, Chemical Instrumentation Test and Evaluation (CITE), is concerned with the development and validation of measurement techniques for trace species which play important roles in the tropospheric chemical cycles. In connection with CITE 1 an intercomparison of instruments is conducted for the measurement of CO, NO, and OH. These species have been identified as critical for an understanding of homogeneous gas-phase chemistry in the troposphere. The present paper provides an operational overview of the first of three instrument intercomparison field missions conducted as part of GTE/CITE 1. The missions include one ground-based and two airborne missions, and were designed to characterize current capability of measuring ambient levels of CO, NO, and OH.

Gregory, G. L.↗
NASA NTRS1985

Initial development and performance evaluation of a process for formation of dense carbon by pyrolysis of methane

The three steps in pyrolytic carbon formation are: (1) gaseous hydrocarbon polymerization and aromatic formation; (2) gas-phase condensation and surface adsorption/impingement of polyaromatic hydrocarbon; and (3) final dehydration to carbon. The structure of the carbon in the various stages of formation is examined. The apparatuses and experimental procedures for the pyrolysis of methane in a 60 cm long quartz reactor tube at temperatures ranging from 1400-1600 K are described. The percentage of carbon converted and its density are calculated and tabularly presented. The results reveal that dense carbon formation is maximized and soot eliminated by this procedure. It is observed that conversion efficiency depends on the composition of the inlet gas and conversion increases with increasing temperature. Based on the experimental data a three-man carbon reactor subsystem (CRS) is developed; the functions of the Sabatier Methanation Reactor, two carbon formation reactors and fluid handling components of the CRS are analyzed. The CRS forms 16 kg of carbon at a rate of 0.8 kg/day for 20 days in a two percent volume density quartz wool packing at temperature of 1500-1600 K.

Noyes, G. P.↗
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

Detection of (Si II) (34.8 micron) emission in Orion-KL - A measurement of the silicon abundance in dense interstellar gas

The first detection of the ground state fine structure transition of Si+ at a rest wavelength determined to be 34.815 + or - 0.004 micron are reported. These observations were obtained with the facility spectrometer on NASA's Kuiper Airborne Observatory. A 6' NW-SE strip scan across the Orion-KL region shows Si II emission from both the extended photodissociation region surrounding theta 1 Ori C and from the shocked gas NW of BN-KL. The inferred gas-phase silicon elemental abundance relative to hydrogen in the dense 10 to the 5/cc primarily neutral photodissociation region is approximately 2.6 x 10 the -6, a factor of 0.075 times the solar value and 3.4 times greater than the abundance in the moderate density aprox. 10 to the 3/cc cloud toward Zeta Oph The silicon abundance in the shocked gas is approximately solar, indicating that any pre-existing grains have been destroyed in the shock wave or that the preshock gas carries a near solar abundance of gas phase silicon. The shock-excited Si II (34.8 micron) emission may arise from shocked wind material in the outflow around IRc2, with wind velocities approx. 100 km/s.

Haas, M. R.↗
NASA NTRS1986

A model of Comet P/Giacobini-Zinner

A computer model of Comet P/Giacobini-Zinner is presented which contains photoprocesses, gas-phase chemical kinetics, energy balance, multifluid hydrodynamics with a transition to free molecular flow, and solar wind interaction. Recently the physics for electrons in the model has been improved by including electron impact ionization and dissociation and separately accounting for electron energetics. Electron heating and cooling mechanisms include photoprocesses, recombination processes, inelastic and elastic collisions with heavy molecules, and expansion cooling. The model incorporates an internally consistent interaction of the solar wind with the coma gas using the axisymmetric ideal fluid dynamic equations. The nuclear size and composition have been chosen to make the calculations relevant to the September 11, 1985 International Cometary Explorer (ICE) encounter with Comet P/Giacobini-Zinner. Model profiles of the temperature, velocity, and number density of the electrons are in good agreement with measurements along ICE's trajectory. The results indicate the probe passed through a region of the coma at the onset of the plasma tail.

Boice, D. C.↗
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 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 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.↗
NASA NTRS1986

Interstellar absorption lines in the spectrum of sigma Sco using Copernicus observations

Since the launch of Copernicus in 1972, studies have been made of the depletion of gas-phase elements onto dust grains. A few stars have been studied in detail, resulting in a standard depletion pattern which has since been used for comparison. Recent developments, however, have suggested that this standard pattern may need to be re-examined. Some weak, semi-forbidden lines were detected recently which may be able to resolve some of the ambiguities. Studies of single elements have shown that depletion of carbon and oxgyen are much smaller than previously determined. The high resolution ultraviolet spectral scans of sigma Sco were originally made in 1973, but have only recently been analyzed. All these stars are bright and moderately reddened. All four stars will be analyzed in detail, but sigma Sco is the first one completed. The data has broad coverage of ions, making these stars excellent candidates for determination of accurate depletions. A profile-fitting analysis was used rather than curves-of-growth in order to determine separate abundances and depletions in components separated by several km/sec.

Allen, M. M.↗
NASA NTRS1986

The abundance of interstellar sulphur and zinc in high density sight-lines

On the basis of early absorption line studies of individual lines of sight with the Copernicus satellite, chlorine, sulphur and zinc were classed together as elements which showed little or no depletion, relative to hydrogen, in the interstellar medium. The abundances of other less volatile elements, such as Fe and Mg were found to vary widely from one sight-line to another with gas-phase abundances in some cases being orders of magnitude below their solar counterparts. Detailed studies are reported of the depletion/density behavior of two other volatile elements which were previously considered to be virtually undepleted, S and Zn, using equivalent width data from both Copernicus and IUE observations. The results provide further evidence that the established dependence of depletion on n bar (H) extends to volatile elements and show that their use as tracers of metallicity, or for estimating hydrogen column densities, may lead to large errors in sight-lines through dense regions. It now appears that such elements may take part in the surface chemistry of grains and be important constituents of grain mantle material, although they probably do not contribute significantly to the bulk mass of grains. Due to the very similar atomic masses and ionization potentials of sulphur and phosphorous, the thermal velocity distributions of the singly ionized species of these elements in interstellar clouds should be very similar. However, a comparison of Doppler widths (b-values) derived for SIT and PIT in the same sight-lines from the Bohlin et al Copernicus equivalent width measurements has revealed an unexpected systematic discrepancy of a factor of approx. 1.7. This Discrepancy indicates that the normally adopted oscillators strengths of the PII lambda lambda 1153 and 1302 A lines may require revision.

Harris, A. W.↗
NASA NTRS1986

Model ion abundances for Comet Halley

A computer model for comet comae was applied to predict ion abundances for comet Halley, assuming that the volatile component of the nucleus is 85% water and that the remaining volatile molecules are composed of carbon, nitrogen, oxygen, and sulfur. Model parameters such as heliocentric distance, size, and albedo are chosen to be consistent with the 13 to 14 March 1986 encounter of Giotto with the comet. Photoprocesses, gas-phase chemical kinetics, coma energy balance including a separate electron temperature, multifluid hydrodynamics with a transition to free molecular flow, fast streaming atomic and molecular hydrogen, and counter and cross streaming of species in the coma-solar wind interaction are taken into consideration. A comparison of the model results with data from the ion mass spectrometer at 6000 and 1500 km from the nucleus shows good agreement. Implications of the coma physics and chemistry are discussed.

Huebner, W. F.↗
NASA NTRS1986

Temperature dependence of the NO3 absorption spectrum

The absorption spectrum of the gas-phase NO3 radical has been studied between 220 and 700 nm by using both flash photolysis and discharge flow reactors for the production of NO3. In the flash photolysis method, cross sections at the peak of the (0,0) band at 661.9 nm were measured relative to the cross section of ClONO2 at several different wavelengths. From the best current measurements of the ClONO2 spectrum, the NO3 cross section at 661.9 nm was determined to be (2.28 + or 0.34) x 10 to the -17th sq cm/molecule at 298 K. Measurements at 230 K indicated that the cross section increases by a factor of 1.18 at the peak of the (0,0) band. The discharge flow method was used both to obtain absolute cross sections at 661.9 nm and to obtain relative absorption spectra between 300 and 700 nm at 298 and 230 K. A value of (1.83 + or - 0.27) x 10 to the -17th sq cm/molecule was obtained for sigma NO3 at 661.9 nm at 298 K. Upper limits to the NO3 cross sections were also measured between 220 and 260 nm with the discharge flow method.

Sander, Stanley P.↗
NASA NTRS1986

Reactions of chlorine nitrate with HCl and H2O

The kinetics of the reactions of chlorine nitrate with HCl and H2O are characterized using a static photolysis/Fourier transform infrared spectrophotometer apparatus. For the homogeneous gas-phase reaction with HCl, an upper limit for the rate constant of less than 8.4 x 10 to the -21st, and for the reaction with H2O, a limit of less than 3.4 x 10 to the -21st cu cm/molecule per s, were obtained at 296 + or - 2 K. The yield of HNO3 is almost unity in both cases, and no synergistic effect is noted between HCl and H2O. The kinetic behavior of the reaction with H2O is well described by simple first-order kinetics, while the behavior of the reaction with HCl is described in terms of the Langmuir adsorption isotherm.

Hatakeyama, Shiro↗
NASA NTRS1986

Radiocarbon tracer measurements of atmospheric hydroxyl radical concentrations

The usefulness of the C-14 tracer in measurements of atmospheric hydroxyl radical concentration is discussed. The apparatus and the experimental conditions of three variations of a radiochemical method of atmosphere analysis are described and analyzed: the Teflon bag static reactor, the flow reactor (used in the Wallops Island tests), and the aircraft OH titration reactor. The procedure for reduction of the aircraft reactor instrument data is outlined. The problems connected with the measurement of hydroxyl radicals are discussed. It is suggested that the gas-phase radioisotope methods have considerable potential in measuring tropospheric impurities present in very low concentrations.

Campbell, M. J.↗
NASA NTRS1986

Fast algorithm for calculating chemical kinetics in turbulent reacting flow

This paper addresses the need for a fast batch chemistry solver to perform the kinetics part of a split operator formulation of turbulent reacting flows, with special attention focused on the solution of the ordinary differential equations governing a homogeneous gas-phase chemical reaction. For this purpose, a two-part predictor-corrector algorithm which incorporates an exponentially fitted trapezoidal method was developed. The algorithm performs filtering of ill-posed initial conditions, automatic step-size selection, and automatic selection of Jacobi-Newton or Newton-Raphson iteration for convergence to achieve maximum computational efficiency while observing a prescribed error tolerance. The new algorithm, termed CREK1D (combustion reaction kinetics, one-dimensional), compared favorably with the code LSODE when tested on two representative problems drawn from combustion kinetics, and is faster than LSODE.

Radhakrishnan, K.↗
NASA NTRS1987

On the chemical homogeneity of the 30 Doradus H II region and a local enrichment by Wolf-Rayet stars

Emission-line strengths have been obtained at 10 positions in the outer regions of the 30 Dor nebula and analyzed in the standard way. There are two major results: (1) the elemental abundances for nine of the outer regions are remarkably similar to those previously measured in the core. This result implies the spectra of the cores and halos of giant H II regions (subject to the different ionizing radiation fields) are analyzed correctly by the standard methods. Hence measurements of extragalactic H II regions with poor spatial resolution correctly represent the abundances of the whole nebula. The O/H ratio in 30 Dor, by number, is 0.30 solar. The Ne/O, S/O, Ar/O, and Cl/O are close to solar. The gas-phase Fe/O is about 0.2 solar, which probably implies that most of the iron is within solid grains. The He/H is 0.0810 as shown by each of the three strong lines available. One region is cool and rich in helium and all other heavy elements except nitrogen. The spectrum of the region does not resemble that of a supernova remnant in that the forbidden O I and S II lines are not nearly strong enough. The abundances can be explained fairly well as over 10 solar masses of H-poor material ejected during the evolution of a single massive (about 80 solar masses) star during its late O-star and Wolf-Rayet phases.

Rosa, Michael↗
NASA NTRS1987

Atmospheric measurements of pyruvic and formic acid

Pyruvic acid, a product of the atmospheric oxidation of cresols and probably of isoprene, has been determined together with formic acid in atmospheric aerosols and rain as well as in the vapor phase. Both acids are present predominantly as vapor; only about 10-20 percent of the total atmospheric pyruvate and 1-2 percent of the total formate are in the particulate phase. The concentrations of pyruvic and formic acid are highly correlated, with typical formic-to-pyruvic ratios of 10-30 in the gas phase, 20-30 in rain, and 2-10 in aerosols. The gas-phase and rain ratios are comparable to those predicted to result from isoprene oxidation. Pyruvic acid levels were similar in the eastern United States (during summer) and the Amazon Basin, suggesting that natural processes, particularly the photochemical oxidation of isoprene, could account for most of the pyruvic acid present in the atmosphere.

Andreae, Meinrat O.↗
NASA NTRS1987

Theoretical studies of diffuse cloud chemistry

Gas-phase chemistry in the steady state is reviewed. The chemistries of C and O, and the reactions for the formation of CO, D-bearing, and N-bearing molecules are discussed. Consideration is given to the column density of H3(+) in diffuse clouds, the rate coefficient, abundances of H3(+), and the steady-state models of van Dishoeck and Black (1986). The varying lifetime of H2, from 1000 years at the boundary to 5,000,000 years or more at the center of diffuse clouds, and changes in the H2/H abundance ratio in dense clouds are studied, and the nonequilibrium chemistry that occurs in shock-heated gas is analyzed. The estimation of photo rates and the radiation field; models of molecular formations on grains; and the synthesis of molecules in clouds are examined.

Black, John H.↗