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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

Semiclassical theory of unimolecular dissociation induced by a laser field

A semiclassical nonperturbative theory of direct photodissociation in a laser field is developed in which photon absorption and dissociation are treated in a unified fashion. This is achieved by visualizing nuclear dynamics as a representative particle moving on electronic-field surfaces. Methods are described for calculating dissociation rates and probabilities by Monte Carlo selection of initial conditions and integration of classical trajectories on these surfaces. This unified theory reduces to the golden rule expression in the weak-field and short-time limits, and predicts nonlinear behavior, i.e., breakdown of the golden rule expression in intense fields. Field strengths above which lowest-order perturbation theory fails to work have been estimated for some systems. Useful physical insights provided by the electronic-field representation have been illustrated. Intense field effects are discussed which are amenable to experimental observation. The semiclassical methods used here are also applicable to multiple-surface dynamics in fieldfree unimolecular and bimolecular reactions.

Yuan, J.-M.↗
NASA NTRS1978

On the dissociation of nitrogen by electron impact and by EUV photo-absorption

The dissociation of N2 by electron impact and by absorption of EUV photons was studied experimentally. It was shown that most of the N2 molecules excited to singlet states in the 12.5-14.86 eV range are depopulated by predissociation and not by the emission of EUV photons and that this is the principal mechanism by which N2 is dissociated by solar EUV absorption and by electron impact. The experiments provide a physical explanation for the near absence of N2 band radiation in airglow and auroral EUV spectra, and rule out the excitation of EUV radiation as a major factor in the overall energy economy of an auroral substorm.

Zipf, E. C.↗
NASA NTRS1978

On the excitation of Lyman beta and Balmer alpha radiation by electron-impact dissociation of methane

The cross sections for the excitation of Ly-beta and H-alpha when methane is dissociated by electron impact have values of 17.1 by 10 to the -19th power sq cm and 26.0 by 10 to the -19th power sq cm, respectively, at an electron impact energy of 100 eV. These results are in disagreement with the implications of recent polarization measurements of H-alpha radiation that suggest negligible H(3p) excitation in the dissociation of CH4 by electron impact.

Mclaughlin, R. W.↗
NASA NTRS1979

Dissociative and double photoionization of CO2 from threshold to 90 A

The molecular photoionization, dissociative photoionization and double photoionization cross sections for CO2 were measured from their onsets down to 90 A by using various combinations of mass spectrometers (a coincidence time-of-flight mass spectrometer and a magnetic mass spectrometer) and light sources (synchrotron radiation, and glow and spark discharge). It is concluded that the one broad peak and the three shoulders in the total adsorption cross section curve between 640 and 90 A are caused completely by dissociative ionization processes. Several peaks observed in the cross section curve for the total fragmentation CO(+)3, O(+) and C(+) are compared with those in the photoelectron spectrum reported for CO2.

Masuoka, T.↗
NASA NTRS1979

Dissociative recombination of N2/+/ in the ionosphere

N2(+) ion measurements are examined which were made with the Atmospheric Explorer-C satellite during a phase of solar activity in 1978 that was significantly higher than near the earlier minimum. It is found that the major source of N2(+) is photoionization, rather than charge exchange with O(+) (2D), and that the major loss process above 300 km is dissociative recombination with electrons. A data sample for which the electron temperature (T sub e) covered the range from 1000 to 3400 K is used to evaluate the rate constant, alpha, for the dissociative-recombination process. The results show good agreement with laboratory measurements given by the expression: alpha = 1.8 x 10 to the -7th (T sub e/300) to the -0.39th cu cm/sec.

Torr, M. R.↗
NASA NTRS1979

The OI/1S/ state - Its quenching by O2 and formation by the dissociative recombination of vibrationally excited O2/+/ ions

The rate coefficient for the quenching of metastable O(1S) atoms by O2 was measured as a function of temperature from 250 to 550 K. The resulting Arrhenius expression correlates well with previous laboratory work. It is suggested that the much larger value of the rate coefficient inferred from an analysis of artificial auroral experiment, Precede, may be explained by overestimation of the contribution of O(1S) production from O2(+) dissociative recombination. The possibility that O(1S) atoms are produced only by the dissociative recombination of vibrationally excited O2(+) ions is examined; such excited ions would not exist in the Precede experiment because of the rapid cooling of the ions by resonant charge transfer processes.

Zipf, E. C.↗
NASA NTRS1980

Dissociation of molecular oxygen in the Schumann-Runge bands

Oscillator strengths and predissociation linewidths deduced in recent studies predict a dissociation rate for O2 in the Schumann-Runge bands which is significantly larger in the upper stratosphere and lower mesosphere than previously believed. Error bars on molecular parameters required in the cross-section calculation translate into uncertainties in the dissociation rate which are less than plus or minus 10% at all altitudes where the Schumann-Runge bands are aeronomically significant.

Frederick, J. E.↗
NASA NTRS1982

The development of a magnetically enhanced hydrogen gas dissociation

Application of a dc magnetic field on an RF hydrogen gas dissociator led to the development of a more efficient source of atoms for hydrogen masers. The influence of the applied magnetic field on the plasma and some details of the resulting enhancement of the dissociation efficiency are discussed. Ways that this improved efficiency can result in the enhancement of the operation and field life of hydrogen masers, as well as aid the development of spaceborne masers, are considered.

Maleki, L.↗
NASA NTRS1983

Galactic cosmic rays and N2 dissociation on Titan

The electromagnetic and particle cascade resulting from the absorption of galactic cosmic rays in the atmosphere of Titan is shown to be an important mechanism for driving the photochemistry at pressures of 1 to 50 mbar in the atmosphere. In particular, the cosmic ray cascade dissociates N2, a process necessary for the synthesis of nitrogen organics such as HCN. The important interactions of the cosmic ray cascade with the atmosphere are discussed. The N2 excitation and dissociation rates and the ionization rates of the principal atmospheric consituents are computed for a Titan model atmosphere that is consistent with Voyager 1 observations. It is suggested that HCN may be formed efficiently in the lower atmosphere through the photodissociation of methylamine. It is also argued that models of nitrogen and hydrocarbon photochemistry in the lower atmosphere of Titan should include the absorption of galactic cosmic rays as an important energy source.

Capone, L. A.↗
NASA NTRS1984

Atomic hydrogen for low temperature atomic hydrogen masers and in-vacuum dissociators for VLG-11 series masers

The operation of a cryogenically-cooled hydrogen maser using an RF plasma dissociator operating at liquid nitrogen temperature (77K) in confunction with a state selector magnet whose dimensions are suitable for slow atoms is studied. The focusing characteristics for a hexapole state selector magnet with maximum fields at the pole tips, provide a maximum acceptance angle for atoms at the most probable velocity in the beam. By thermally isolating the RF circuitry from the dissociator glassware, only dielectric losses in the glass and the energy coupled to the plasma will result in the boil-off of liquid nitrogen. It is estimated that this is about one watt and thus a loss rate of approximately .022 liters pr hour is anticipated.

Vessot, R. F. C.↗
NASA NTRS1984

Magnetically Enhanced Hydrogen Gas Dissociator: a Progress Report

The application of a sensitive hydrogen gas detector led to the observation of a significant increase in the efficiency of atom production of a magnetically enhanced dissociator. An increase of about 7000% in the production of atoms in the hyperfine state desired for maser operation is observed at certain values of the applied magnetic field. A preliminary test of the dissociator in the maser led to an observed increase of 6.18 dB in the maser power.

Lee, G.↗
NASA NTRS1985

Shielding of CO from dissociating radiation in interstellar clouds

The paper investigates the photodissociation of CO in interstellar clouds in the light of recent laboratory studies which suggest that line rather than continuum processes dominate its dissociation by ultraviolet radiation. Using a simple radiative transfer model, the shielding of representative dissociating bands is estimated, including self-shielding, mutual shielding between different isotopes, and near coincidences with strong lines of H2. Each of these processes materially affects the photodestruction rates of the various isotopic species in the transition regions of molecular clouds. These results are combined with an appropriate gas phase chemical model to determine how the abundances of the CO isotopes vary with depth into the cloud. It is found that self-shielding and mutual shielding cause significant variations in isotopic ratios. In addition, fractionation enhances species containing C-13. The relationship between the column densities of CO and H2 is found to vary for the different isotopes and to be sensitive to local conditions.

Glassgold, A. E.↗
NASA NTRS1985

The contribution of dissociative processes to the production of atomic lines in hydrogen plasmas

The contribution of molecular dissociative processes to the production of atomic lines is considered for a steady-state hydrogen plasma. If the contribution of dissociative processes is dominant, a substantial simplification in plasma diagnostics can be achieved. Numerical calculations have been performed for the production of Balmer alpha, beta, and gamma lines in hydrogen plasmas with medium and large degrees of ionization (x greater than about 0.0001) and for electron temperatures of 5000-45,000 K and electron densities of 10 to the 10th to 10 to the 16th/cu cm.

Kunc, J. A.↗
NASA NTRS1986

Theoretical dissociation energies for ionic molecules

Ab initio calculations at the self-consistent-field and singles plus doubles configuration-interaction level are used to determine accurate spectroscopic parameters for most of the alkali and alkaline-earth fluorides, chlorides, oxides, sulfides, hydroxides, and isocyanides. Numerical Hartree-Fock (NHF) calculations are performed on selected systems to ensure that the extended Slater basis sets employed for the diatomic systems are near the Hartree-Fock limit. Extended Gaussian basis sets of at least triple-zeta plus double polarization equality are employed for the triatomic system. With this model, correlation effects are relatively small, but invariably increase the theoretical dissociation energies. The importance of correlating the electrons on both the anion and the metal is discussed. The theoretical dissociation energies are critically compared with the literature to rule out disparate experimental values. Theoretical (sup 2)Pi - (sup 2)Sigma (sup +) energy separations are presented for the alkali oxides and sulfides.

Langhoff, S. R.↗
NASA NTRS1984

Why do performance and subjective workload measures dissociate?

A set of three experiments are described that examine the sources of information processing that produce a dissociation between subjective workload measures and performance. The results support a theory of the dissociation. Subjective measures are driven more by the number of tasks currently performed. Subjective measures are also less sensitive to resource competition than performance measures are. Factors that demand more resource investment improve performance, but these factors also increase subjective ratings of workload.

Yeh, Y.-Y.↗
NASA NTRS1986

Theoretical dissociation energies for the alkali and alkaline-earth monofluorides and monochlorides

Spectroscopic parameters are accurately determined for the alkali and alkaline-earth monofluorides and monochlorides by means of ab initio self-consistent field and correlated wave function calculations. Numerical Hartree-Fock calculations are performed on selected systems to ensure that the extended Slater basis sets employed are near the Hartree-Fock limit. Since the bonding is predominantly electrostatic in origin, a strong correlation exists between the dissociation energy (to ions) and the spectroscopic parameter r(e). By dissociating to the ionic limits, most of the differential correlation effects can be embedded in the accurate experimental electron affinities and ionization potentials.

Langhoff, S. R.↗
NASA NTRS1987

Large scale dissociation of molecular gas in the sprial arms of M51

The distribution of the atomic and ionized hydrogen along the inner spiral arms of M51 are compared. As is the case in M83, the location of both these phases of the interstellar medium with respect to the major dust lanes suggests that molecular hydrogen is dissociated on kpc scales in active star-forming regions, and that this dissociation process may strongly affect the observed morphology of atomic hydrogen in spiral arms.

Tilanus, R. P. J.↗
NASA NTRS1987

The production of O(1D) from dissociative recombination of O2(+)

The results of large scale ab initio calculations of the rates for production of O(1D) by dissociative combination of O2(+) are presented for electron temperatures in the range 100 to 3000 K. A 1-delta-u state is the dominant dissociative route from v = 0 and a 3-sigma-u(-) state is the most important route from v = 1 and v = 2. The calculated total rate for O(1D) production from v = 0 is 2.21(+0.21,-0.24) x 10(-7) x (T sub e/300) exp -.46 near room temperature. The v = 1 and v = 2 rates are about 17% and 47% smaller respectively, than the v = 0 rate at 300 K.

Guberman, Steven L.↗