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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

The retrieval of atmospheric constituent mixing-ratio profiles from solar absorption spectra

Methods used to determine various atmospheric gas distributions are summarized. The experimentally determined mixing ratio profiles (the mixing ratio of a gas is the ratio of the number of gas molecules to the number of air molecules) of some atmospheric gases are shown. In most in situ experiments stratospheric gas samples are collected at several altitudes by balloon, aircraft, or rocket. These samples are then analyzed by various methods. Mixing ratio profiles of Ci, ClO, and OH were determined by laser induced fluorescence of samples. Others have analyzed gas samples by gas chromatography in order to determine the molecular abundances of CCl2F2, CCl4, CCl3F, CFCl3, CF2Cl2, CHClF2, CH3CCl3, CH4, CO, C2Cl3F3, C2Cl4, C2HCl3, C2H2, C2H4, C2H6, C3H8, C6H6, C7H8, H2, and N2O.

Shaffer, W. A.↗
NASA NTRS1984

The Jovian Stratosphere in the ultraviolet

The center-of-disk reflectivity of Jupiter in the wavelength range from 1500 A to 3000 A was computed from 31 low dispersion IUE spectra taken during solar maximum in 1979/80. The spectra were normalized to a reflectivity scale with the improved solar spectrum of July, 1980. Consideration of wavelength shifts between different IUE spectra and within the solar spectrum improved the apparent noise, especially longward of 2000 A. Six out of seven ammonia bands between 1900 A and 2200 A were detected. A vertically inhomogeneous radiative transfer program is used to compute model reflectivities for various stratospheric compositions. In addition to ammonia, the abundance of acetylene is also well determined because these molecules show narrow absorption bands in the ultraviolet. The abundances of the other molecules in the models (C3H4, C2H4, C4H2, C2H6, C3H6) are very uncertain and therefore are quoted only as upper limits. The best model fit is consistent with infrared observations by Voyager IRIS.

Wagener, R.↗
NASA NTRS1984

Temperature and pressure dependence of the absolute rate constant for the reactions of NH2 radicals with acetylene and ethylene

The absolute rate constants for the reaction between the NH2 free radical and acetylene and ethylene is measured experimentally using a flash photolysis technique. The constant is considered to be a function of temperature and pressure. At each temperature level of the experiment, the observed pseudo-first-order rate constants were assumed to be independent of flash intensity. The results of the experiment indicate that the bimolecular rate constant for the NH2 + C2H2 reaction increases with pressure at 373 K and 459 K but not at lower temperatures. Results near the pressure limit conform to an Arrhenius expression of 1.11 (+ or -) 0.36 x 10 to the -13th over the temperature range from 241 to 459 K. For the reaction NH2 + C2H4, a smaller rate of increase in the bimolecular rate constant was observed over the temperature range 250-465 K. The implications of these results for current theoretical models of NH2 + C2H2 (or H4) reactions in the atmospheres of Jupiter and Saturn are discussed.

Bosco, S. R.↗
NASA NTRS1985

Infrared polar brightening on Jupiter. III - Spectrometry from the Voyager 1 IRIS experiment

Spectra from the Voyager 1 IRIS experiment confirm the existence of enhanced infrared emission near Jupiter's north magnetic pole in March 1979. The spectral characteristics of the enhanced emission are consistent with a Planck source function. A temperature-pressure profile is derived for the region near the north magnetic pole, from which quantitative abundance estimates of minor species are made. Some species previously detected on Jupiter, including CH3D, C2H2, and C2H6, have been observed again near the pole. Newly discovered species, not previously observed on Jupiter, include C2H4, C3H4, and C6H6. All of these species except CH3D appear to have enhanced abundances at the north polar region with respect to midlatitudes. Upper limits are determined for C4H2 and C3H8. The quantitative results are compared with model calculations based on ultraviolet results from the IUE satellite. The plausibility of the C6H6 identification is discussed in terms of the literature on C2H2 polymerization. The relation of C6H6 to cuprene is also discussed.

Kim, S. J.↗
NASA NTRS1986

Evaluation of a storable fluorine based pilot for scramjets

An ignitor/pilot device for scramjet engines has been tested with C2H4, C2H6, and CH4 gaseous hydrocarbon fuels at Mach 2. The pilot was designed to operate with storable nontoxic propellants rather than hazardous pyrophorics; the pilot fluid is a mixture of ethylene, oxygen, and sulfur hexafluoride. The pilot reduced the minimum temperature at which all three hydrocarbon fuels ignited; a comparison was then conducted between combustion efficiency calculations for these test results and those of pilots using nitrogen in place of sulfur hexafluoride, and using silane-hydrogen (yielding equivalent energy). The nitrogen-substituted pilot exhibited the highest efficiency.

Diskin, G. S.↗
NASA NTRS1985

Clathrate hydrates in the solar system

Clathrate hydrates are crystalline compounds in which an expanded ice lattice forms cages that contain gas molecules. There are two principal hydrate structures. Structure I, with a 12 A cubic unit cell, contains 46 water molecules and 8 cages of two types, giving an ideal formula (for CH4) of CH4.5.75H2O. The actual formula contains somewhat more water as the cages are not completely filled. Other examples that form Structure I hydrates are C2H6, C2H4, C2H2, CO2, SO2, OCS, Xe, H2S. Structure II, with a 17 A cubic unit cell, contains 136 water molecules, and 8 large and 16 small cages. The ideal formula for CHCl3 is CHCL3.17H2O. Other examples of Structure II hydrates include C3H8, C2H5Cl, acetone, and tetrahydrofuran. Small molecules such as Ar, Kr and probably N2 and O2 also form a Structure II hydrate. The small molecules occupy both the large and small cages, giving an ideal formula of Ar.5.67H2O. The conditions of pressure and temperature for hydrate formation are discussed.

Miller, S. L.↗
NASA NTRS1986

Infrared observations of planetary atmospheres

Infrared data was obtained on planetary atmospheres which provides critical information on atmospheric structure, composition, and cloud properties in support of planetary missions such as Voyager and Galileo. Mapping of Jupiter and Saturn in thermal and reflected solar radiation is a high-priority monitoring and exploratory activity. Some of these images of Jupiter are shown. Radiation at 17.8 micrometer probes the upper tropospheric temperature structure where spatial structure bears a strong resemblance to visible and near-infrared reflected sunlight such as at 2.0 micrometer. At 7.8 micrometer, stratospheric temperatures appear to have a three-banded structure, enhancements near the magnetic poles and occasional transient features such as the equatorial filament near the right limb. Clouds or hazes are observed high in the stratosphere looking at wavelengths such as 2.2 micrometer, where gaseous opacity is very strong. Other maps examine cloud properties from thermal radiation not strongly influenced by gaseous opacity and the distribution of condensable gases, such as ammonia. Millimeter and submillimeter filtered radiometric observations were made of Jupiter, Uranus and Neptune via collaborative work. Radiometric observations of Uranus and Neptune at 21 and 32 micrometer were acquired and analyzed as well as grating array spectra in the ranges of 8 to 14 micrometer, 16 to 23 micrometer, and 18 to 32 micrometer. These showed evidence for C2H2 in the stratosphere of Uranus and C2H4 in the stratosphere of Neptune.

Orton, G. S.↗
NASA NTRS1989

Laser/Plasma/Chemical-Vapor Deposition Of Diamond

Proposed process for deposition of diamond films includes combination of plasma induced in hydrocarbon feed gas by microwave radiation and irradiation of plasma and substrate by lasers. Deposition of graphite suppressed. Reaction chamber irradiated at wavelength favoring polymerization of CH2 radical into powders filtered out of gas. CH3 radicals, having desired sp3 configuration, remains in gas to serve as precursors for deposition. Feed gas selected to favor formation of CH3 radicals; candidates include CH4, C2H4, C2H2, and C2H6. Plasma produced by applying sufficient power at frequency of 2.45 GHz and adjusting density of gas to obtain electron kinetic energies around 100 eV in low-pressure, low-temperature regime.

Hsu, George C.↗
NASA NTRS1989

Correlation of molecular valence- and K-shell photoionization resonances with bond lengths

The relationship between the interatomic distance and the positions of valence-shell and K-shell sigma(asterisk) photoionization resonances is investigated theoretically for the molecules C2, F2, N2, O2, CO, NO, C2H2, C2H4, C2H6, HCN, H2CO, N20, CO2, and C2N2. The results of molecular-orbital computations are presented in three-dimensional diagrams, which are shown to be similar to the wave functions of a particle in a cylindrical well, confirming the validity of free-electron molecular-orbital (FEMO) approximations for modeling the potential along the symmetry axis. FEMO orbital energies and resonance positions are found to be in good agreement with previous theoretical and experimental results. Also included is a Feshbach-Fano analysis of the relevance of virtual-valence orbitals to the appearance of single-channel resonances in molecular photoionization cross sections.

Sheehy, J. A.↗
NASA NTRS1990

A laboratory investigation of the production and properties of molecular and radical species pertinent to planetary atmospheres

Vinylidene (H2C=C) is shown to be the largest photodecomposition channel in the direct photolysis of both C2H2 and C2H4. The chemistry of H2C=C as it relates to planetary atmospheres is discussed. The vinyl radical (C2H3), important in the acetylene chemistry cycle, has been directly observed spectroscopically and the kinetics of several key reactions of this species measured.

Fahr, Askar↗
NASA NTRS1990

In situ extraction and analysis of volatiles and simple molecules in interplanetary dust particles, contaminants, and silica aerogel

Results are presented for the analyses of eight interplanetary dust particles (IDPs) for the volatile elements H, C, N, O, and S and their molecular species, as well as of the volatiles associated with contaminants (i.e., the compounds used during the collection and curation of IDPs), which were carried out using a laser microprobe interfaced with a quadrupole mass spectrometer. It was found that the volatile species from contaminants were always present in the spectra of IDPs. Despite the contamination problems, several indigenous molecular species could be identified, including OH, CO2 or C2H4, C and CS2, CO2 along with CO (possibly indicating the presence of carbonate), H2S, SO, COS, SO2, and CS2. In some cases, the sulfur components can be attributed to aerosols; however, in one of the IDPs, the presence of H2S, SO, COS, and SO2 indicates the possible presence of elemental sulfur.

Hartmetz, C. P.↗
NASA NTRS1990

The photochemistry of methane in the atmosphere of Triton

The model of Summers and Strobel (1989) for photochemical reactions in the Uranus atmosphere was modified and used for quantitative calculations of methane in the atmosphere of Triton. The principal adjustable parameters in the new model are the surface CH4 concentrations and the vigor of vertical mixing in Triton's lower atmosphere. It is shown the rate of methane photolysis that was calculated is sufficient to generate a smog of condensed C2H2, C2H4, C2H6, and C4H2 particles in the lowest 30 km of Triton's atmosphere, with an optical depth consistent with the Voyager imaging results.

Strobel, Darrell F.↗
NASA NTRS1991

Titan's atmosphere from Voyager infrared observations. III - Vertical contributions of hydrocarbons and nitriles near Titan's north pole

Voyager 1 IR spectra have been used to infer the Titan north polar region minor stratospheric constituents' temperature structure and vertical distribution. The mixing ratios of the species C4H2, C2H6, C3H4, HCN, HC3N, and C2N2 increase with altitude, implying upper stratosphere (and higher) formation regions. When compared with abundances obtained near the equator, it is found that the HC3N and C2N2 nitriles, together with such hydrocarbons as C2H4, C3H4, and C4H2, are substantially enhanced over the north polar region. A factor-of-2 (minimum) depletion of CO2 relative to the equator is noted; it is judged that current photochemical models are inadequate bases for interpretation of these observations.

Coustenis, A.↗
NASA NTRS1991

The Jovian ionospheric E region

A model of the Jovian ionosphere was constructed, that includes direct photoionization of hydrocarbon molecules. A high-resolution solar spectrum was synthesized from Hinteregger's solar maximum spectrum (F79050N), and high-resolution cross sections for photoabsorption by H2 bands in the range 842 to 1116 A were constructed. Two strong solar lines and about 30 percent of the continuum flux between 912 and 1116 A penetrate below the methane homopause despite strong absorption by CH4 and H2. It is found that hydrocarbons (mainly C2H2 are ionized at a maximum rate of 55/cu cm per sec at 320 km above the ammonia cloud tops. The hydrocarbon ions produced are quickly converted to more complex hydrocarbon ions through reactions with CH4, C2H2, C2H6, and C2H4. It is found that a hydrocarbon ion layer is formed near 320 km that is about 50 km wide with a peak density in excess of 10,000/cu cm.

Kim, Y. H.↗
NASA NTRS1990

Theoretical study of the C-H bond dissociation energy of C2H

A theoretical study of the convergence of the C-H bond dissociation energy D(0) in C2H with respect to both the one- and n-particle spaces is presented. The calculated C-H bond energies of C2H2 and C2H4, which are in excellent agreement with experiment, are used for calibration. The best estimate for D(0) of 112.4 + or - 2.0 kcal/mol is slightly below the recent experimental value of 116.3 + or - 2.6 kcal/mol, but substantially above a previous theoretical estimate of 102 kcal/mol. The remaining discrepancy with experiment may reflect primarily the uncertainty in the experimental D(0) value of C2 required in the analysis.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1991

Studies of electron collisions with polyatomic molecules using distributed-memory parallel computers

Elastic electron scattering cross sections from 5-30 eV are reported for the molecules C2H4, C2H6, C3H8, Si2H6, and GeH4, obtained using an implementation of the Schwinger multichannel method for distributed-memory parallel computer architectures. These results, obtained within the static-exchange approximation, are in generally good agreement with the available experimental data. These calculations demonstrate the potential of highly parallel computation in the study of collisions between low-energy electrons and polyatomic gases. The computational methodology discussed is also directly applicable to the calculation of elastic cross sections at higher levels of approximation (target polarization) and of electronic excitation cross sections.

Winstead, C.↗
NASA NTRS1991

The computation of C-C and N-N bond dissociation energies for singly, doubly, and triply bonded systems

The bond dissociation energies (De) of C2H2, C2H4, C2H6, N2, N2H2, and N2H4 are studied at various levels of correlation treatment. The convergence of De with respect to the one-particle basis is studied at the single-reference modified coupled-pair-functional (MCPF)level. At all levels of correlation treatment, the errors in the bond dissociation energies increase with the degree of multiple bond character. The multireference configuration-interaction (MRCI) De values, corrected for an estimate of higher excitations, are in excellent agreement with those determined using the size-extensive averaged-coupled-pair-functional (ACPF) method. The full-valence complete-active-space self-consistent-field (CASSCF)/MRCI calculations are reproduced very well by MRCI calculations based on a CASSCF calculation that includes in the active space only those electrons involved in the C-C or N-N bonds.

Langhoff, Stephen R.↗
NASA NTRS1992

Comments on PDF methods

Viewgraphs are presented on the following topics: the grand challenge of combustion engineering; research of probability density function (PDF) methods at Sandia; experiments of turbulent jet flames (Masri and Dibble, 1988); departures from chemical equilibrium; modeling turbulent reacting flows; superequilibrium OH radical; pdf modeling of turbulent jet flames; scatter plot for CH4 (methane) and O2 (oxygen); methanol turbulent jet flames; comparisons between predictions and experimental data; and turbulent C2H4 jet flames.

Chen, J.-Y.↗