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At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

The production rate of C/+/ from the photoionization of CO and CO2

The dissociative photoionization cross sections for the production of C(+) ions are presented for the spectral region from the dissociative ionization threshold to 90 A. The cross sections are considerably larger than previously published data and should therefore influence the calculations of the C(+) concentrations in the Mars and Venus ionospheres. It is suggested that the released energy in the C(+) fragment ion could reduce the loss rate of the ions in collisional processes, thereby accounting for the apparent discrepancies between the observed and calculated C(+) ion density in the Venus ionosphere.

Samson, J. A. R.↗
NASA NTRS1981

Hot oxygen atoms in the upper atmosphere of Venus

Using data obtained by an ultraviolet spectrometer on the Pioneer-Venus Orbiter, energy and altitude distribution of nonthermal oxygen atoms in the Venus atmosphere for typical daytime and nighttime conditions are calculated using two different numerical methods. Agreement is found between results obtained by the two-stream transport method and the diffusion equation technique. Dissociative recombination of molecular oxygen ions and charge exchange of atomic oxygen ions with the neutral hydrogen and oxygen gas are the source terms, and calculations show that the dissociative recombination term is the dominant one. It is shown that measured hot atom concentrations exceed estimates of the thermal hydrogen atom concentrations derived from Brinton et al. (1980) over most of the daytime exosphere, and the calculated concentrations do so to an even greater extent. It is concluded that hot oxygen atoms are an important component of the dayside exosphere of Venus, their most important effect being the absorption of solar wind.

Nagy, A. F.↗
NASA NTRS1980

Thermal decomposition of a Si3N4-22 wt% Al2O3 alloy

It is pointed out that materials near the Si3N4 corner of the Si3N4-AlN-Al2O3-SiO2 quaternary, termed sialons are candidate materials for high performance applications. Hot pressed alloys in this system are useful because they possess high flexure strengths and good oxidation and creep resistance. The results of the thermal decomposition studies conducted indicate that dissociation and resulting weight loss lead to inhomogeneous specimens. Material loss comes primarily from near the surface (at least initially) thus causing differences between the composition of the surface material and the bulk. In these specimens, the O-prime phase was found to be the least stable to dissociation and the beta-prime phase the most stable. This result is in accord with the conclusions of Mitomo et al. (1979) that Si2N2O has a larger equilibrium SiO partial pressure than either the X phase or the beta-prime phase.

Ditchek, B. M.↗
NASA NTRS1981

Photochemistry of acetylene at 1470 A

The considered study was conducted to assess the importance of the major primary photochemical process of acetylene at 1470 A, to clarify the role of the metastable excited state, and to obtain information on the rates of C2H reactions with H2 and CH4. Concerning the photodissociation process of acetylene, it was found that at acetylene pressures below 0.8 Torr the direct dissociation process (C2H2 yields C2H + H) is the most important primary photochemical process with a quantum yield of 0.3. Another primary process may be the production of H2 with a quantum yield of approximately 0.1 (C2H2 yields C2 + H2). At acetylene pressures above 0.8 Torr diacetylene is formed by the direct dissociation process followed by the reaction: C2H + C2H2 yields C4H2 + H. At pressures above 20 Torr benzene becomes an important product with a concomitant decrease of diacetylene. The role of acetylene in the photochemistry of the Jovian atmosphere is also considered

Okabe, H.↗
NASA NTRS1982

An investigation of the kinetics of hydrogen chemisorption on iron metal surfaces

The isothermal kinetics of H2, H2S, and O2 chemisorption onto epitaxially grown (III) oriented Fe films were studied. The measurements were made using the techniques of chemisorption induced resistance change and Auger electron spectroscopy (for adsorbed sulfur and oxygen). Also the origin of the chemisorption induced resistance change for these systems and its applicability to kinetic measurements were established. The chemisorption kinetics were interpreted as dissociative chemisorption via an adsorbed molecular species. The applicable rate constants were established. In none of the studies were the rate constants observed to be coverage dependent. By comparing the temperature dependence of the rate constants with absolute rate theory, the binding energies and activation energies of all the kinetic processes were obtained for the H2/Fe system. The initial sticking coefficient was pressure dependent for both the H2/Fe and H2S/Fe systems. This results from the step between the adsorbed molecular state and the dissociated chemisorbed state being the rate limiting step for absorption at certain pressures and temperatures. Estimates were obtained for the temperature dependence of the rate constants for the O2/Fe system.

Shanabarger, M. R.↗
NASA NTRS1982

Production and condensation of organic gases in the atmosphere of Titan

The rates and altitudes for the dissociation of atmospheric constituents on Titan are calculated for solar ultraviolet radiation, the solar wind, Saturn magnetospheric particles, the Saturn co-rotating plasma, and cosmic rays. Laboratory experiments show that a variety of simple gas phase organic molecules and more complex organic solids called tholins are produced by such irradiations of simulated Titanian atmospheres. Except for ultraviolet wavelengths longward of the methane photodissociation continuum, most dissociation events occur between about 3100 and 3600 km altitude, corresponding well to the region of EUV opacity detected by Voyager. For a wide variety of simple to moderately complex organic gases in the Titanian atmosphere, condensation occurs below the top of the main cloud deck at about 2825 km. It is proposed that such condensates, beginning with CH4 at about 2615 km, comprise the principal mass of the Titan clouds. There is a distinct tendency for the atmosphere of Titan to act as a fractional distillation device, molecules of greater complexity condensing out at higher altitudes.

Sagan, C.↗
NASA NTRS1981

Theory of dense hydrogen

Equations of state for molecular and metallic hydrogen are calculated in an accurate and comparable manner by using the density-functional method applied to static lattices. By isolating the electronic energies in this way, attention can be drawn to the relative importance of the protonic degrees of freedom. From the equation-of-state results it can be concluded that a remnant molecular pairing is preferred in a band-overlap metallic state, complete dissociation occurring only at very high densities. An accurate determination of the pressure needed to achieve complete dissociation is shown to require a self-consistent treatment of electron and proton degrees of freedom.

Chakravarty, S.↗
NASA NTRS1982

The distribution and variability of mesospheric odd nitrogen - A theoretical investigation

Model calculations of the distribution of mesospheric odd nitrogen (NOx) predict large differences between the summer and winter hemispheres. The smallest mixing ratios occur in summer where dissociation of NO followed by recombination provides an efficient sink and creates a sharp minimum between 70 and 75 km. No such minimum occurs in the winter where a downward flux of NOx extends from the lower thermosphere into the upper stratosphere. However, dissociation still exerts a major influence on the NOx abundance in the winter hemisphere and limits the downward flow of nitric oxide to values much smaller than expected in the polar night.

Frederick, J. E.↗
NASA NTRS1982

Production of nitric oxide by lightning on Venus

The first measurements of the production of nitric oxide (NO) by a laboratory discharge in a simulated Venus atmosphere are presented. The average NO yield over a range of energies was found to be 3.7 + or - 0.7 x 10 to the 15th molecules/joule. Simultaneous measurements of carbon monoxide (CO) resulting from the lightning-induced dissociation of carbon dioxide (CO2) indicated a CO yield of about 4 x 10 to the 17th molecules/joule. These measurements suggest that at and below cloud level, a region where solar ultraviolet radiation cannot penetrate, the dissociation of CO2 by lightning may be a significant source of oxygen atoms. Depending on the assumed value for the total energy dissipated by lightning on Venus, the production of NO by lightning may be a significant sink of atmospheric nitrogen over the history of Venus.

Levine, J. S.↗
NASA NTRS1983

Rate processes in gas phase

Reaction-rate theory and experiment are given a critical review from the engineers' point of view. Rates of heavy-particle, collision-induced reaction in gas phase are formulated in terms of the cross sections and activation energies for reaction. The effect of cross section function shape and of excited state contributions to reaction both cause the slope of Arrhenius plots to differ from the true activation energy, except at low temperature. The master equations for chemically reacting gases are introduced, and dissociation and ionization reactions are shown to proceed primarily from excited states about kT from the dissociation or ionization limit. Collision-induced vibration, vibration-rotation, and pure rotation transitions are treated, including three-dimensional effects and conservation of energy, which have usually been ignored. The quantum theory of transitions at potential surface crossing is derived, and results are found to be in fair agreement with experiment in spite of some questionable approximations involved.

Hansen, C. F.↗
NASA NTRS1983

On photochemical heating of cometary comae - The cases of H2O and CO-rich comets

It is found that the effect of energy addition due to photochemical processes in the cometary coma on the heating and accelerating of the expanding neutral gas is limited by the kinematic property of the energy transfer from the energetic fragments to the bulk flow. The effective scale length of the photochemical zone for an H2O comet is estimated to be only 10% of the dimension of the collision region due to the large mass ratio of H atom and H2O molecule. When this physical property is taken into consideration, the H2O gas is found to be expanding at a highly supersonic speed. In addition, it is shown that the addition of a mixture of CO and/or CO2 molecules in a medium-bright comet with total production rate of 10 to the 29th molecules/s would not change this conclusion since the photodissiation length scales of these molecules are a factor of 10-30 larger than that of the H2O molecules. Thus, most of the CO and CO2 molecules will be dissociated outside of the collision zone without depositing the excess kinetic energy to the neutral atmosphere. However, if the gas production rate is controlled by CO or CO2, the dimension of the collision zone of a CO comet at 1 AU will be increased by a factor of seven. The photochemical heating due to CO dissociation would thus be more effective, causing the atmospheric flow to be weakly supersonic. It is concluded that the neutral gas outflows from H2O comets and CO comets could be substantially different.

Ip, W.-H.↗
NASA NTRS1983

Photodissociation of NH3 at 106-200 nm

The absorption and fluorescence cross sections for NH3 are measured in the 106-200 nm region using synchrotron radiation as the light source. The threshold wavelengths for the production of the NH (b to X) and NH (c to a) emissions from NH3 dissociation are measured and compared with previous measurements. The heat of formation of NH determined from these thresholds agrees well with the value determined from thermochemical data. The process of dissociation of NH3 into NH2(2AL) and H2(S) has a significant quantum yield whose maximum at 134 nm is about twice the NH(c) production yield. All the vibronic levels of the B and C states produce the NH2(2A1) emission, contrary to previous theoretical interpretations.

Suto, M.↗
NASA NTRS1983

Low temperature operation of an S2 laser using radio frequency simmer discharges

Technological problems stemming from high temperature operation of the sulfur resonator have hindered its development as a tunable, efficient, discharge pumped laser. The use of RF simmer discharges is shown to reduce previous temperature constraints by dissociating polyatomic sulfur molecules into the dimer, such that lasing is achieved when pumped by an XeCl excimer laser. The peak power output of the S2 laser and the transmission spectra through sulfur discharges are used to infer the effectiveness of the discharge in dissociating the vapor.

Killeen, K. P.↗
NASA NTRS1984

Photodeposition of Nitride Insulators on 3-5 Substrates

Laser assisted chemical vapor deposition (LCVD) of nitride insulators, using an excimer laser operating on either KrF or ArF transitions (248 nm or 193 nm respectively) was explored. The properties of silicon nitride films Deposited with 193 nm photons on quartz and silicon substrates in a SiH4, NH3, N2 and He mixture are discussed. Aluminum films were deposited at substrate temperatures from room temperature to 200 C using 248 nm or 193 nm photons to dissociate trimethylaluminum (TMA). Deposition of Al films were investigated to isolate problems associated with TMA such as C and O contamination during AlN depositions. The Al film properties were evaluated on SiO2 and Si substrates. Preliminary results were obtained for aluminum nitride films using TMA and NH3 as the gas phase Al and N donors. The properties of Cr films deposited over areas 5 square cm using 193 nm or 248 nm photons to dissociate Cr(CO) were investigated.

Collins, G. J.↗
NASA NTRS1984

Quantum chemical study of methane oxidation species

Work completed on the 2A1 excited state and low-lying dissociative states of the methoxy radical is reported. A manuscript was prepared that reports the characterization of the 2A1 electronic state, the excitation energies and Franck-Condon factors for the 2A1 - 2E system, and the energies of intersection between the 2A1 state and the nearby dissociative states. The minimum excitation energy needed for predissociation of methoxy is predicted along with the corresponding implications for atmospheric chemistry.

Jackels, C. F.↗
NASA NTRS1982

Partitioning of excess energy in the photolysis of cyanogen chloride and cyanogen bromide at 193 nm

The nascent quantum state distributions of CN(X2 Sigma +) fragments produced in the dissociation of ClCN and BrCN by photolysis at 193 nm, in an effusive beam, have been measured. The rotational distribution of the fragments is highly excited. The results show that the excited electronic state which dissociates is bent. A simple parameterization is shown to fit the results. This parameterization is based on a semiclassical model which has dynamical implications.

Halpern, J. B.↗
NASA NTRS1984

Self-deactivation of water vapor - Role of the dimer

A phenomenological multiple-relaxation theory of the deactivation rate constant for the nu-2 (1 - 0) bending mode of water vapor is presented which incorporates the role not only of the excited monomer but also of the bound molecular complex, in particular the dimer. The deactivation takes place by means of three parallel processes: (1) collisional deexcitation of the excited monomer, (2) a two-step reaction involving association and spontaneous redissociation of an H2O collision complex, and (3) spontaneous dissociation of the stably bound H2O dimer. Oxygen, but not nitrogen or argon, serves as an effective chaperon for the formation of the activated complex. This observation explains the impurity dependence of the self-deactivation rate constant of water vapor. Analysis of an ultrasonic absorption peak based on the third process yields values for the standard entropy and enthalpy of dissociation of the stably bound H2O dimer.

Zuckerwar, A. J.↗
NASA NTRS1984

Potential energy surfaces of MH2 (M = Co, Fe, and Cu)

In many important catalytic processes, the dissociation of the hydrogen molecule is a fundamental step, and the chemisorption of dihydrogen by metal surfaces has been studied. However, quantitative results from theoretical treatments are not very encouraging. Blomberg and Siegbahn (1983) have found that the negative binding energy for NiH2 obtained with the aid of the commonly used Hartree-Fock approximation differs greatly from the result found on the basis of a more sophisticated calculation, including electron correlation. Another study showed the great importance of d orbitals in the dissociation process. A study, similar to the one on NH2, has been conducted for three other metals, including cobalt, iron, and copper. The present investigation is concerned with the results of this study. The potential surfaces of CoH2, FeH2, and CuH2 are discussed, taking into account the lowest atomic states, the bent low spin complex, the bent high spin saddle points, and the linear states.

Siegbahn, P. E. M.↗