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At least 1,027 records · Page 57

Ab initio R-matrix calculations of e+-molecule scattering

The adaptation of the molecular R-matrix method, originally developed for electron-molecule collision studies, to positron scattering is discussed. Ab initio R-matrix calculations are presented for collisions of low energy positrons with a number of diatomic systems including H2, HF and N2. Differential elastic cross sections for positron-H2 show a minimum at about 45 deg for collision energies between 0.3 and 0.5 Ryd. The calculations predict a bound state of positronHF. Calculations on inelastic processes in N2 and O2 are also discussed.

Danby, Grahame↗

Temperature determination of shock layer using spectroscopic techniques

Shock layer temperature profiles are obtained through analysis of radiation from shock layers produced by a blunt body inserted in an arc jet flow. Spectral measurements of N2(+) have been made at 0.5 inch, 1.0 inch, and 1.4 inches from the blunt body. A technique is developed to measure the vibrational and rotational temperatures of N2(+). Temperature profiles from the radiation layers show a high temperature near the shock front and decreasing temperature near the boundary layer. Precise temperature measurements could not be made using this technique due to the limited resolution. Use of a high resolution grating will help to make a more accurate temperature determination. Laser induced fluorescence technique is much better since it gives the scope for selective excitation and a better spacial resolution.

Akundi, Murty A.↗

Impact fracture experiments simulating interstellar grain-grain collisions

Oxide and silicate grains condensing during the early phases of the formation of the solar system or in the outflow of stars are exposed to high partial pressures of the low-z elements H, C, N and O and their simple gaseous compounds. Though refractory minerals are nominally anhydrous and non-carbonate, if they crystallize in the presence of H2O, N2 and CO or CO2 gases, they dissolve traces of the gaseous components. The question arises: How does the presence of dissolved gases or gas components manifest itself when grain-grain collisions occur. What are the gases emitted when grains are shattered during a collision event. Researchers report on fracture experiments in ultrahigh vacuum (UHV, approximately less than 10 to the -8th power mbar) designed to measure (by means of a quadrupole mass spectrometer, QMS, with microns to ms time resolution) the emission of gases and vapors during and after impact (up to 1.5 sec). Two terrestrial materials were chosen which represent structural and compositional extremes: olivine (San Carlos, AZ), a densely packed Mg-Fe(2+) silicate from the upper mantle, available as 6 to 12 mm single crystals, and obsidian (Oregon), a structurally open, alkaline-SiO2-rich volcanic glass. In the olivine crystals OH- groups have been identified spectroscopically, as well as H2 molecules. Obsidian is a water-rich glass containing OH- besides H2O molecules. Olivine from the mantle often contains CO2, either as CO2-rich fluid in fluid inclusions or structurally dissolved or both. By analogy to synthetic glasses CO2 in the obsidian may be present in form of CO2 molecules in voids of molecular dimensions, or as carbonate anions, CO3(2-). No organic molecules have been detected spectroscopically in either material. Results indicate that refractory oxide/silicates which contain dissolved traces of the H2O and CO/CO2 components but no spectroscopically detectable traces of organics may release complex H-C-O (possibly H-C-N-O) molecules upon fracture, plus metal vapor. This points: (1) at complex reaction mechanisms between dissolved H2O, CO/CO2 (and N2) components within the mineral structure or during fracture, and (2) at the possibility that similar emission processes occur following grain-grain collisions in interstellar dust clouds.

Freund, Friedemann↗

Foreign-gas pressure broadening parameters of propane near 748/cm

The pressure-broadening coefficients of the nu sub 19 band of propane near 748/cm due to H2, N2, and He are determined using a tunable diode laser spectrometer at room temperature. The coefficients obtained were 0.183(5)/cm/atm for C3H8-H2, 0.119(2) for C3H8-N2, and 0.105(2) for C3H8-He. The possible implications of the results for propane on Titan, the earth, and Saturn are noted.

Nadler, Schachar↗

Stratospheric infrared continuum absorptions observed by the ATMOS instrument

A quantitative analysis of infrared continuum absorption features observed in ATMOS/Spacelab 3 (1985) spectra of the lower stratosphere is reported. Continuous absorption produced primarily by the collision-induced fundamental vibration-rotation band of O2 and to a lesser extent by the superposition of H2O far line wings has been observed in the 1400 to 1800/cm interval below tangent heights of about 25 km. Continuum optical depths measured in microwindows nearly free of atmospheric line absorption are 0.78 + or - 0.06 times those calculated with the O2 absorption coefficients of Timofeyev and Tonkov (1978). Transmittance measurements in microwindows between 2395 and 2535/cm have been used to study continuous absorption from the collision induced fundamental vibration-rotation band of N2 and the far wings of strong CO2 lines. The measured transmittances have been analyzed to derive best fit absorption coefficients for the N2 pressure-induced band at lower stratospheric temperatures (about 210 K).

Rinsland, C. P.↗

Role of the interfacial thermal barrier in the effective thermal diffusivity/conductivity of SiC-fiber-reinforced reaction-bonded silicon nitride

Experimental thermal diffusivity data transverse to the fiber direction for composites composed of a reaction bonded silicon nitride matrix reinforced with uniaxially aligned carbon-coated silicon carbide fibers indicate the existence of a significant thermal barrier at the matrix-fiber interface. Calculations of the interfacial thermal conductances indicate that at 300 C and 1-atm N2, more than 90 percent of the heat conduction across the interface occurs by gaseous conduction. Good agreement is obtained between thermal conductance values for the oxidized composite at 1 atm calculated from the thermal conductivity of the N2 gas and those inferred from the data for the effective composite thermal conductivity.

Bhatt, Hemanshu↗

Polar thermospheric Joule heating, and redistribution of recombination energy in the upper mesosphere

Kellogg (1961), suggested that transport of atomic oxygen from the summer into the winter hemisphere and subsequent release of energy by three body recombination, O+O+N2 yields O2+N2+E, may contribute significantly to the so-called mesopause temperature anomaly. Earlier model calculations have shown that Kellogg's mechanism produces about a 10-percent increase in the temperature from summer to winter at 90 km. This process, however, is partly compensated by differential heating from absorption of UV radiation associated with dissociation of O2. In the auroral region of the thermosphere, there is a steady energy dissipation by Joule heating causing a redistribution and depletion of atomic oxygen due to wind-induced diffusion. With the removal of O, latent chemical energy normally released by three body recombination is also removed, and the result is that the temperature decreases by almost 2 percent near 90 km. Through dynamic feedback, this process reduces the depletion of atomic oxygen by about 25 percent and the temperature perturbation in the exosphere from 10 to 7 percent at polar latitudes. Under the influence of the internal dynamo interaction, the prevailing zonal circulation in the upper thermosphere changes direction when the redistribution of recombination energy is considered.

Mayr, H. G.↗

Monte Carlo simulation of vibrational relaxation in nitrogen

Monte Carlo simulation of nonequilibrium vibrational relaxation of (rotationless) N2 using transition probabilities form an extended SSH theory is presented. For the range of temperatures considered, 4000-8000 K, the vibrational levels were found to be reasonably close to an equilibrium distribution at an average vibrational temperature based on the vibrational energy of the gas. As a result, they do not show any statistically significant evidence of the bottleneck observed in earlier studies of N2. Based on this finding, it appears that, for the temperature range considered, dissociation commences after all vibrational levels equilibrate at the translational temperature.

Olynick, David P.↗

The pressure broadening of NO2 in the millimeter and submillimeter wave spectral region

Pressure-broadening parameters for 19 transitions of the millimeter and submillimeter wave spectrum of NO2 have been obtained experimentally. Results for broadening by N2, O2, and He are presented and compared with earlier theoretical calculations of the N2 and O2 parameters. A discussion of the relation between theoretical calculations and experimental measurements is presented.

Goyette, Thomas M.↗

A two-component volatile atmosphere for Pluto. I - The bulk hydrodynamic escape regime

The seasonal effects on Pluto's atmosphere of a simplified system of CH4 and N2 saturated over a solid solution are investigated, and the results are compared with previous CH4 models. It is found that bulk escape occurs for CH4 mole fractions less than 0.7 of Pluto's volatile reservoir. Greater CH4 abundance leads to diffusive separation during the escape of both species and an atmospheric mixing ratio of about Xc(0). If Xc(0) is in the range 0.02-0.10, Pluto's atmosphere remains largely intact at aphelion rather than virtually freezing out as it does for Xc(0) greater than 0.3 or less than 0.001, or form an atmosphere with only a single volatile gas. An upper limit for the CH4 mixing ratio is about 0.07 if N2 is the second gas. On the other hand, CH4 is the dominant surface constituent of the volatile deposit if Xc(0) is greater than 0.0001.

Trafton, L.↗

N2H(+) in warm and cold clouds

A topic of importance in both cometary and instellar astronomy is the N2/NH3 abundance ratio in star forming regions. A key test for solar system formation models is the N2/NH3 abundance ratio in comets, which are thought to be made up of material from the protostar nebula, and in molecular clouds, from which stars are thought to be approx. 0.1. The N2/NH3 abundance ratio has never been measured in the interstellar medium, but is estimated from theoretical models to be in the range of 100 to 200. If the theoretical models are truly representative of dense molecular clouds then the difference in the abundance ratios of N2/NH3 between comets and the ISM would imply that significant chemical processing must have occurred in the protostar nebula that somehow altered the amount of N2 relative to NH3. A systematic survey was made of star forming regions to establish N2 abundances and N2/NH3 ratios for comparison with cometary data.

Womack, Maria↗

Subsurface energy storage and transport for solar-powered geysers on Triton

The location of active geyser-like eruptions and related features close to the current subsolar latitude on Triton suggests a solar energy source for these phenomena. Solid-state greenhouse calculations have shown that sunlight can generate substantially elevated subsurface temperatures. A variety of models for the storage of solar energy in a subgreenhouse layer and for the supply of gas and energy to a geyser are examined. 'Leaky greenhouse' models with only vertical gas transport are inconsistent with the observed upper limit on geyser radius of about 1.5 km. However, lateral transport of energy by gas flow in a porous N2 layer with a block size on the order of a meter can supply the required amount of gas to a source region about 1 km in radius. The decline of gas output to steady state may occur over a period comparable with the inferred active geyser lifetime of 5 earth years. The required subsurface permeability may be maintained by thermal fracturing of the residual N2 polar cap. A lower limit on geyser source radius of about 50 to 100 m predicted by a theory of negatively buoyant jets is not readily attained.

Kirk, Randolph L.↗

Scatterers in Triton's atmosphere - Implications for the seasonal volatile cycle

Nitrogen and methane ices on the surface of Triton, Neptune's largest satellite, are exchanged between the summer and winter hemispheres on a seasonal time scale. Images of the satellite's sky obtained by the Voyager 2 spacecraft show the presence of several types of scattering materials that provide insights into this seasonal cycle of volatiles. Discrete clouds, probably composed of N2 ice particles, arise in regions of active sublimation. They are found chiefly poloward of 30 deg S in the southern, summer hemisphere. Haze particles, probably made of hydrocarbon ices, are present above most, but not all places. Recent snowfall may have occurred at low southern latitudes in places where they are absent. The latent heat released in the formation of the discrete clouds may have a major impact on the thermal balance of the lower atmosphere. Triton may have been less red at the time of the Voyager flyby than 12 years earlier due to recent N2 snowfall at a wide range of latitudes.

Pollack, James B.↗

Monte Carlo simulation of nonequilibrium shock fronts

A direct simulation of a shock-tube experiment carried by AVCO (pressure of 1 Torr and velocity of 6.4 km/sec), repeated by Sharma and Gillespie (1990), and used by Park (1988) to develop his two-temperature model, is presented. Results show that the electronic ground state of N2 is not in rotational nor vibrational equilibrium with that of N2(+). Moreover, a two-temperature model is inadequate to describe nonequilibrium flows behind shocks. The role of impurities is examined. It is shown that the effects of a small fraction of H2O are insignificant. Good agreement with the measurements of Sharma and Gillespie is indicated.

Olynick, David P.↗

Spectral fitting, shock layer modeling, and production of nitrogen oxides and excited nitrogen

An analysis was made of N2 emission from 8.72 MJ/kg shock layer at 2.54, 1.91, and 1.27 cm positions and vibrational state distributions, temperatures, and relative electronic state populations was obtained from data sets. Other recorded arc jet N2 and air spectral data were reviewed and NO emission characteristics were studied. A review of operational procedures of the DSMC code was made. Information on other appropriate codes and modifications, including ionization, were made as well as a determination of the applicability of codes reviewed to task requirement. A review was also made of computational procedures used in CFD codes of Li and other codes on JSC computers. An analysis was made of problems associated with integration of specific chemical kinetics applicable to task into CFD codes.

Blackwell, H. E.↗

Spectroscopy of comets

Observations of NH2, OI, CH, CO(+), CO2(+), H2O(+), and N2(+) in optical spectra of comets represent ionization and dissociation product abundances of N2, NH3, H2O, CH4, CO2, and CO. The primary objectives are to determine: (1) accurate production rates for the observed species, and (2) accurate relative abundances of condensates in a sample of comet nuclei. The ultimate goal is to constrain models of comet formation and chemical processing in the outer primordial solar nebula.

Wyckoff, Susan↗

Aerothermodynamic radiation studies

We have built and made operational a 6 in. electric arc driven shock tube which alloys us to study the non-equilibrium radiation and kinetics of low pressure (0.1 to 1 torr) gases processed by 6 to 12 km/s shock waves. The diagnostic system allows simultaneous monitoring of shock radiation temporal histories by a bank of up to six radiometers, and spectral histories with two optical multi-channel analyzers. A data set of eight shots was assembled, comprising shocks in N2 and air at pressures between 0.1 and 1 torr and velocities of 6 to 12 km/s. Spectrally resolved data was taken in both the non-equilibrium and equilibrium shock regions on all shots. The present data appear to be the first spectrally resolved shock radiation measurements in N2 performed at 12 km/s. The data base was partially analyzed with salient features identified.

Donohue, K.↗

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

The bond dissociation energies (D sub e) of C2H2, C2H4, C2H6, N2, N2H2, and N2H4 are studied at various levels of correlation treatment. The convergence of D sub e 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) D sub e 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. It was found that 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. To achieve chemical accuracy (1 kcal/mole) for the D sub e values of the doubly bonded species C2H4 and N2H2 requires one particle basis sets including up through h angular momentum functions (l = 5) and a multireference treatment of electron correlation: still higher levels of calculation are required to achieve chemical accuracy for the triply bonded species C2H2 and N2.

Langhoff, Stephen R.↗