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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

Spin-polarized atomic nitrogen and the 7Sigma + u state of N2

The first self-consistent field (SCF) calculation of the repulsive 7Sigma + u state of molecular nitrogen is presented. This calculation is used with attractive dispersion to provide a model potential for electron spin-polarized atomic nitrogen N appropriate in the range of 2.5-20A(O). Potential parameters obtained from the calculation are used to provide estimates of equilibrium thermodynamic properties of spin-polarized N in the quantum theorem of corresponding states framework. Consideration is given to increased stability of spin-polarized N with respect to single electron spin-flip processes, as compared to spin-polarized H.

Ferrante, R. F.↗
NASA NTRS1983

Heat-transfer distributions on biconics at incidence in hypersonic-hypervelocity He, N2, air, and CO2 flows

Laminar heat-transfer rates were measured on spherically blunted, 13 degrees/F degrees on-axis and bent biconics (fore cone bent 7 degrees upward relative to aft cone) at hypersonic-hypervelocity flow conditions in the Langley Expansion Tube. Freestream velocities from 4.5 to 6.9 km/sec and Mach numbers from 6 to 9 were generated using helium, nitrogen, air, and carbon dioxide test gases, resulting in normal shock density ratios from 4 to 19. Angle of attack, referenced to the axis of the aft cone, was varied from zero to 20 degrees in 4 degree increments. The effect of nose bend, angle of attack, and real-gas phenomena on heating distributions are presented along with comparisons of measurement to prediction from a code which solves the three-dimensional 'parabolized Navier-Stokes' equations.

Miller, C. G.↗
NASA NTRS1986

Adsorption of H2, Ne, and N2 on Activated Charcoal

9-page report presents measured adsorption isotherms of hydrogen, neon, and nitrogen on activated charcoal for temperatures from 77 to 400 K and pressures from 1 to 80 atmospheres (0.1 to 8.1 MPa). Heats of adsorption calculated from isotherms also presented. Report gives expressions, based on ideal-gas law, which show relationship between different definitions of volume of gas adsorbed and used in describing low-pressure isotherms.

Chang, C. K.↗
NASA NTRS1983

Pressure dependence of intramolecular mode frequencies in solid N2, O2, and CO2

A microscopic description of the pressure dependence of intramolecular vibrational modes in simple molecular crystals has been formulated using a classical perturbation theory. Quantitative agreement with experiment is demonstrated and it is shown that frequency changes at phase transitions are large enough to be observed optically.

Etters, R. D.↗
NASA NTRS1985

On the similarity and differences for N2 and CO on Ni

The computed dipole derivatives for the N-N and C-O stretches are found to be quite similar, while the Ni-N derivative is much larger than for the corresponding Ni-C stretch; this is in agreement with experiment. A constrained space orbital variation (CSOV) analysis shows shows that the NiN2 bonding is more similar to that in NiCO than was concluded based upon the experimental dipole derivatives and binding energy shifts.

Bauschlicher, C. W., Jr.↗
NASA NTRS1985

A reexamination of important N2 cross sections by electron impact with application to the dayglow - The Lyman-Birge-Hopfield band system and N I (1199.99 nm)

The emission cross section (cascade plus direct excitation) and predissociation cross section for the Lyman-Birge-Hopfield band systems is experimentally measured. The results are compared to electron energy loss measurements of the direct excitation cross section. An analytic approximation to the measured cross section is obtained which demonstrates the extreme simplicity of the collision strengths at energies above the cross-section peak. Cross sections are also obtained for the FUV atomic nitrogen multiplets. Available cross sections for N I emission at 119.99 nm are discussed in detail.

Ajello, J. M.↗
NASA NTRS1986

Theoretical study of the 7Sigma(u)+ state of N2

Theoretical potentials for the 7Sigma(u)+ state are reported using both extended Slater and Gaussian basis sets. Electron correlation is included using the interacting correlated fragments (ICF), the singles plus doubles configuration-interaction (SDCI), and the coupled-pair functional (CPF) approaches. The best potential, corrected for basis set superposition errors, has a well depth of about 21/cm and an r(e) of 7.52 bohr. The inclusion of the nitrogen 2s correlation significantly increases the well depth. These results are in reasonably good agreement with the empirical potential of Ferrante and Stwalley (1983), and support the contention that spin-polarized atomic nitrogen should behave like a classical solid such as Ne. It is shown that the modified Buckingham potential used by Ferrante and Stwalley is consistent with the present ab initio potentials if smaller values are used for the dispersion coefficients of the nitrogen atom.

Partridge, H.↗
NASA NTRS1988

Electron energy deposition in N2 gas

The processes by which energetic electrons lose energy in a weakly ionized gas of molecular nitrogen are analyzed and calculations are carried out taking into account the discrete nature of the excitation processes. The excitation, ionization, dissociation and heating efficiencies are computed for energies up to 200 eV absorbed in a gas with fractional ionizations varying from 10(-6) to 10(-2). Individual vibrational excitations up to the seventh vibrational level are presented.

Fox, J. L.↗
NASA NTRS1989

Thermal-energy reactions of O2(2+) ions with O2, N2, CO2, NO, and Ne

The paper presents results of drift-tube mass-spectrometer studies of the reactivity of doubly charged molecular oxygen ions with several molecules and neon atoms. Thermal-energ rate coefficients for the reactions with the molecular reactants were found to be large, close to the limiting Langevin rates. Charge transfer with neon atoms was observed, but the measured rate coefficient was only a small fraction of the Langevin rate. It is concluded that the measured rate constants for the reactions considereed refer to vibrationally excited ions.

Chatterjee, B. K.↗
NASA NTRS1989

The dissociation energy of N2

The requirements for very accurate ab initio quantum chemical prediction of dissociation energies are examined using a detailed investigation of the nitrogen molecule. Although agreement with experiment to within 1 kcal/mol is not achieved even with the most elaborate multireference CI (configuration interaction) wave functions and largest basis sets currently feasible, it is possible to obtain agreement to within about 2 kcal/mol, or 1 percent of the dissociation energy. At this level it is necessary to account for core-valence correlation effects and to include up to h-type functions in the basis. The effect of i-type functions, the use of different reference configuration spaces, and basis set superposition error were also investigated. After discussing these results, the remaining sources of error in our best calculations are examined.

Almloef, Jan↗
NASA NTRS1989

Optical Stark effect in the four-wave mixing and stimulated Raman spectra of N2

The influence of the optical Stark effect on spectral line shapes in four-wave-mixing Raman spectroscopy (FWMRS) and stimulated Raman spectroscopy (SRS) is investigated experimentally and theoretically. Using an experimental setup capable of rapid alternation between the simultaneous measurement of coherent Stokes Raman spectroscopy and inverse Raman spectroscopy at low and high intensities, together with a sophisticated frequency reference scheme, it was possible to perform a rather direct comparison between Stark-broadened and non-Stark-broadened spectra of both classes of Raman spectroscopies. The results demonstrate that SRS spectra show more Stark shift and broadening than their FWMRS counterparts. A discrepancy with theoretical results is pointed out, and an attempt is made to explain it.

Moosmuller, H.↗
NASA NTRS1989

Effects of H2O, CO2, and N2 air contaminants on critical airside strain rates for extinction of hydrogen-air counterflow diffusion flames

Dish-shaped counterflow diffusion flames centered by opposing laminar jets of H2 and clean and contaminant O2/N2 mixtures in an argon bath at 1 atm were used to study the effects of contaminants on critical airside strain. The jet velocities for both flame extinction and restoration are found for a wide range of contaminant and O2 concentrations in the air jet. The tests are also conducted for a variety of input H2 concentrations. The results are compared with those from several other studies.

Pellett, G. L.↗
NASA NTRS1989

The dissociation energy of N2

The requirements for very accurate ab initio quantum chemical prediction of dissociation energies are examined using a detailed investigation of the nitrogen molecule. Although agreement with experiment to within 1 kcal/mol is not achieved even with the most elaborate multireference CI (configuration interaction) wave functions and largest basis sets currently feasible, it is possible to obtain agreement to within about 2 kcal/mol, or 1 percent of the dissociation energy. At this level it is necessary to account for core-valence correlation effects and to include up to h-type functions in the basis. The effect of i-type functions, the use of different reference configuration spaces, and basis set superposition error were also investigated. After discussing these results, the remaining sources of error in our best calculations are examined.

Almlof, Jan↗