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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Theoretical characterization of the potential energy surface for H + N2 yields HN2. II - Computed points to define a global potential

A previous calculation for H + N2 (Walch et al., 1989) focused on the minimum energy path (MEP) region of the potential energy surface and on estimates of the lifetime of the HN2 species. In this paper, energies computed at geometries selected to permit a global representation of the potential energy surface (PES) are reported. As in the previous work, the calculations were performed using the complete active space self-consistent field/externally contracted configuration interaction method. The surface was characterized using the same basis set as in the previous paper except that an improved contraction of the H s-basis is used. Calculations with a larger basis set were carried out along an approximate MEP obtained with the smaller basis set. The new PES exhibits a sharp curvature, which was not present in the previous calculations, and has a slightly narrower and smaller barrier to dissociation. Saddle points for H atom exchange via collinear and T shaped HN2 complexes are also reported.

Walch, Stephen P.↗
NASA NTRS1990

Mid- and low-latitude model of thermospheric emissions. I - O(+) (2P) 7320 A and N2 (2P) 3371 A

This paper presents an interhemispherically coupled model of airglow emissions of the O(+) (2P) metastable state (7320 A) and the 0-0 band of the N2 second positive system (3371 A), covering mid- and low-latitudes. The model produces volume emission rates as a function of altitude, latitude, longitude, and local time for any selected data and solar and magnetic conditions, and, thus, can be used to provide three-dimensional maps of the selected emission for comparison with data obtained from orbiting vehicles. The semiglobal graphical maps of the 7320 A and 3371 A emissions illustrate the seasonal, diurnal, and solar cyclic variations on a scale that covers mid- and low-latitudes, as well as the effects of interhemispheric coupling (conjugate photoelectrons). It is shown that, in both cases, conjugate photoelectrons result in excitation at mid- to high- nighttime-latitudes in the winter hemisphere.

Torr, Marsha R.↗
NASA NTRS1991

Plasma discharge in N2 + CH4 at low pressures - Experimental results and applications to Titan

Results are reported from laboratory continuous-flow plasma-discharge experiments designed to simulate the formation of hydrocarbons and nitriles from N2 and CH4 in the atmosphere of Titan. Gas-chromatography and mass-spectrometry data were obtained in experiments lasting up to 100 h at temperature 295 K and pressure 17 or 0.24 mbar, modeling (1) cosmic-ray-induced processes in the Titan troposphere and (2) processes related to stratospheric aurorae excited by energetic electrons and ions from the Saturn magnetosphere, respectively. The results are presented in extensive tables and graphs, and the 0.24-mbar yields are incorporated into an eddy-mixing model to give stratospheric column abundances and mole fractions in good agreement with Voyager IRIS observations.

Thompson, W. Reid↗
NASA NTRS1991

Dissociative recombination of the ground state of N2(+)

Large-scale calculations of the dissociative recombination cross sections and rates for the v = 0 level of the N2(+) ground state are reported, and the important role played by vibrationally excited Rydberg states lying both below and above the v = 0 level of the ion is demonstrated. The large-scale electronic wave function calculations were done using triple zeta plus polarization nuclear-centered-valence Gaussian basis sets. The electronic widths were obtained using smaller wave functions, and the cross sections were calculated on the basis of the multichannel quantum defect theory. The DR rate is calculated at 1.6 x 10 to the -7th x (Te/300) to the -0.37 cu cm/sec for Te in the range of 100 to 1000 K, and is found to be in excellent agreement with prior microwave afterglow experiments but in disagreement with recent merged beam results. It is inferred that the dominant mechanism for DR imparts sufficient energy to the product atoms to allow for escape from the Martian atmosphere.

Guberman, Steven L.↗
NASA NTRS1991

A rocket tomography measurement of the N2(+) 3914 A emission rates within an auroral arc

A rocket tomography experiment designed to measure the two-dimensional distribution of the N2(+) 3914 A volume emission rates within an auroral arc is described. A simple filter photometer on board a sounding rocket, which was launched during the ARIES auroral campaign, was used to measure the 3914 A aruoral brightnesses at elevation angles ranging from 0 to 360 deg in the plane of the rocket trajectory. The measured auroral brightnesses have been tomographically inverted to recover the local 3914 A volume emissioin rates as a function of both altitude and latitude within the arc. The tomographic inversion procedure, which is based upon a maximum probability algebraic reconstruction approach, is described, and the implications of the results for studies of auroral excitation processes are briefly discussed.

Mcdade, I. C.↗
NASA NTRS1991

Electron impact excitation and dissociation of N2 via the b 1Pi(u) state

Electron impact excitation of the b 1Pi(u) state in N2 plays a prominent role in the dissociation of the molecule and thus in the production of atomic nitrogen in planetary atmospheres. Electron impact excitation cross sections combined with electron-impact-induced fluorescence measurements can yield the corresponding dissociation cross sections. Serious discrepancies exist among excitation cross sections reported in the literature. To clarify the situation, these cross sections were measured at two impact energies using electron energy loss spectroscopy. The new results are in agreement with recent values deduced from optical measurements and fall midway between previous results which are too high or low by factors of 2.

Ratliff, J. M.↗
NASA NTRS1991

Electron beam dispersion measurements in nitrogen using two-dimensional imaging of N2(+) fluorescence

Experimental results are presented related to the radial spread of fluorescence excited by 10 and 20 KeV electron beams passing through nonflowing rarefied nitrogen at 293 K. An imaging technique for obtaining species distributions from measured beam-excited fluorescence is described, based on a signal inversion scheme mathematically equivalent to the inversion of the Abel integral equation. From fluorescence image data, measurements of beam radius, integrated signal intensity, and spatially resolved distributions of N2(+) first-negative-band fluorescence-emitting species have been made. Data are compared with earlier measurements and with an heuristic beam spread model.

Clapp, L. H.↗
NASA NTRS1992

H-N2 interaction energies, transport cross sections, and collision integrals

The energies for the interaction of a hydrogen atom with a nitrogen molecule have been calculated for large separation distances using a complete-active-space self-consistent-field/externally contracted configuration interaction method. H-N2 transport cross sections and collision integrals have been calculated using sudden approximations and a semiclassical description of the scattering. The values of these quantities are found to be close to the corresponding values determined from the average (isotropic) potential energy. The collision integrals are applied to determine diffusion and viscosity coefficients; the theoretical diffusion agrees well with the measured data available from experiments at low temperatures.

Stallcop, James R.↗
NASA NTRS1992

Infrared spectroscopic parameters of COF2, SF6, ClO, N2, and O2

The status of the middle infrared spectroscopy of selected atmospheric trace gases, COF2, SF6, ClO, N2, and O2 is reviewed. Emphasis is placed on improved sets of spectroscopic parameters that have been included in the 1991 and 1992 versions of the HITRAN database.

Rinsland, Curtis P.↗
NASA NTRS1993

Vibration-dissociation coupling in CO, N2 and O2 - An evaluation of analytic transition rate expressions

Closed form expressions for inelastic state-to-state and state-specific dissociative rate coefficients for utilization in vibrational master equation studies of shock heated CO, N2, and O2 highly dilute in Ar are considered. The master equation is linearized by neglecting diatom-diatom collisions and recombination. Master equation results indicate that the most significant contribution to dissociation comes from low and mid lying vibrational levels.

Gonzales, David A.↗
NASA NTRS1993

Temperature, N2, and N density profiles of Triton's atmosphere - Observations and model

Improved analysis of the Voyager Ultraviolet Spectrometer observations of the solar occultation by Triton yields the isothermal temperature and N2 number densities in the altitude range 475-675 km. The signature of atomic nitrogen in the occultation spectra is identified, its density profile is derived, and an experimental value of the escape rate of N atoms is given. The one-dimensional thermal conductivity equation for a spherical atmosphere is solved, taking into account CO heating and cooling and heating by precipitating electrons, solar radiation, and chemical effects. Finally, profiles of number densities of N, H2, and H are calculated.

Krasnopolsky, V. A.↗
NASA NTRS1993

Efficient vibrational Raman conversion in O2 and N2 cells by use of superfluorescence seeding

We report first-Stokes vibrational conversion efficiency of 21 percent and 35 percent, respectively, in high-pressure O2- and N2-stimulated Raman cells. Broadband superfluorescence is employed to seed these Raman cells, significantly increasing the conversion efficiences with no measured effect on the Raman spectrum. The addition of helium buffer gas reduces competition from stimulated Brillouin scattering and improves the pulse-to-pulse stability and spatial mode quality by increasing the thermal conductivity. Further improvement of the spatial mode quality is achieved by use of gentle heating on the bottom of the cell to induce convection.

Zhang, Barry↗
NASA NTRS1993

Self-, N2- and Ar-broadening and line mixing in HCN and C2H2

Self-, N2- and Ar-broadening coefficients were measured for the stretch-bend infrared combination bands nu-1 + nu-1/2 (4004/cm) of HCN and nu-1 + nu-1/5 (4091/cm) of C2H2, using a tunable difference-frequency laser. At atmospheric pressures, the Q branches of these bands exhibit significant rotational narrowing or line mixing. The broadening coefficients are fit with empirical rotationally inelastic collision rate laws, which are then used to model the line mixing in the overlapped Q-branch profiles. Simple energy gap fitting laws appear to be suitable for the shorter-range intermolecular quadrupole-quadrupole and induction forces, whereas an energy-corrected-sudden scaling law works better for the longer-range dipole-dipole and dipole-quadrupole collision partners. In all cases, the line-coupling coefficients are substantially reduced from the rotationally inelastic rates fit to the broadening coefficients, indicating that 35-70 percent of the broadening may be due to other collisional mechanisms such as cross-relaxation to the degenerate H state vibrational level.

Pine, A. S.↗
NASA NTRS1994

N2 Lyman-Birge-Hopfield dayglow from ATLAS 1

Spectral measurements of the far ultraviolet dayglow were made from the ATLAS 1 shuttle mission using an intensified charge coupled device (CCD) imaging spectrometer array. The instrument imaged relatively large (177 A) segments of the spectrum simultaneously and had the capability to image altitude in the second dimension of the two-dimensional focal plane detector when the entrance slit of the instrument was oriented perpendicular to the limb of the Earth. The far ultraviolet (FUV) channel of the instrument used a CsTe photocathode rather than the more conventionally used and more solar blind CsI photocathode material. As a result, the spectra were also measured with good sensitivity at FUV wavelengths longer than 1500 A. In this paper, data are selected of specific interest to a study of the N2 Lyman-Birge-Hopfield system using two shuttle attitudes: In the first the field of view was held at a fixed tangent ray height of approximately 140 km while scanning in wavelength, providing repeated FUV spectra over a range of latitudes and allowing comparison with our thermospheric airglow model. In the second observing sequence the line of sight of the instrument was scanned down through the atmosphere but covered about 75% of the full wavelength range. This sequence allows comparison of height dependence,including O2 absorption effects, with the thermospheric model. In all cases, relatively good agreement is obtained with the model (run strictly in a predictive mode) in comparisions in which the line of sight must be intergrated along a path that spans a considerable range of conditions (height, local time, latitude, solar zenith angle). In the case of the data sets examined in this study the vibrational population distributions show mixed results. In one case the distribution agrees well with a theoretical model based on direct electron impact excitation without a significant cascade contribution. A second case indicated a lower population in nu' = 3 and a higher population in nu' = 6 than would be expected from direct impact excitation alone. This supports previous indications that conditions resulting in the cascade mechanism may not always be operative.

Torr, Marsha R.↗
NASA NTRS1994

Pressure broadening of vibrational Raman lines in N2 at temperatures below 300 K

Using quasi-cw stimulated Raman gain spectroscopy, the pressure broadening coefficients for the N2 vibrational Q-branch transitions have been measured over the temperature range 113-297 K for the rotational components J = 4, 6, 8, 10, and 12. The experimental results are fit to a simple power law to give an empirical formula for the temperature dependence of the pressure broadening over the 100-300 K range. These results are also compared to previously published scaling laws that are based on collision induced rotational transition rates.

Herring, G. C.↗
NASA NTRS1993

Primary results from the Berkeley EUV airglow rocket spectrometer: O I and N2 FUV/EUV dayglow in the thermosphere and lower exosphere

The Berkeley extreme-ultraviolet airglow rocket spectrometer (BEARS) made spectroscopic measurements of far and extreme UV, atomic oxygen emissions from a Black Brandt XII (12.041 WT) sounding rocket launched from Wallops Island, Virginia, on September 30, 1988. BEARS' primary instrument, a near-normal Rowland mount spectrometer, measured several atomix oxygen and molecular nitrogen dayglow features at high spectral resolution (1.5 A): O I (989, 1027, 1304, and 1356 A); and N2 Lyman-Birge-Hopfield (4, 0) and (3, 0) bands at 1325 and 1354 A. The instrument collected over 800 s of data spanning altitudes of 150 - 963 km with look directions between 95 deg and 125 deg from zenith. We have analyzed the data using electrons and radiative transport models in a forward modeling approach. The model and data are generally in good agreement. However, there are some discrepancies, which are discussed in terms of remote sensing capabilities and improvements to the models.

Cotton, Daniel M.↗
NASA NTRS1994

Pressure broadening of ClO by N2 and O2 near 204 and 649 GHz and new frequency measurements between 632 and 725 GHz

The N2 and O2 pressure broadening of the ClO transitions near 204 and 649 GHz have been measured between 200 and 300 K. Oxygen broadening has been measured for the transitions near 278 GHz. The accuracy of the derived air broadening is comparable to that for the air broadening of stable species and is estimated to be within approximately 3% over the entire temperature range. These transitions are currently being used for satellite, balloon, and ground based monitoring of atmospheric ClO, respectively. Some new frequency measurements are reported in the 632 - 725 GHz range. These are in good agreement with previous measurements and predictions.

Oh, J. J.↗
NASA NTRS1997

O2 Herzberg State Reaction with N2: A Possible Source of Stratospheric N2O

The goal of this one-year investigation was to determine whether N2O is formed in atmospherically significant quantities by the reaction of vibrationally excited levels of the O2((A3 Sigma(sub u)(sup +)) state with nitrogen. O2(A3 Sigma(sub u)(sup +)) is made throughout the upper stratosphere in considerable amounts by solar photoabsorption, and only a very small reactive yield is necessary for this mechanism to be a major N2O source. By long-term 245-252 nm irradiation of O2/N2 mixtures on- and off-resonance with absorption lines in the O2(A3 Sigma(sub u)(sup +) - X3 Sigma(sub g)(sup -)) transition, followed by N2O analysis by frequency-modulated diode laser absorption spectroscopy, we determined an upper limit for the N2O yield of the candidate reaction. This limit, 3 x 10(exp -5), eliminates O2(A3 Sigma(sub u)(sup +)) + N2 as a significant channel for the generation of stratospheric N2O. In further measurements, we established that N2O is stable under our photolysis conditions, showing that the small amounts of ozone generated from the reaction of O2(A) and O2 do not indirectly lead to destruction of N2O.

Slanger, Tom G.↗