Engineering topics

Guberman, S. L.

Publications and source records attributed to Guberman, S. L..

7 records

NASA NTRS1986

Absorption cross section measurements of oxygen in the wavelength region 195-241 nm of the Herzberg continuum

The continuous absorption cross section of oxygen in the region 205-241 nm is studied as a function of path length and oxygen pressure. The technique used to study the continuous absorption cross section is described. Cross section measurements of oxygen in the wavelength region 193-205 nm obtained by Cheung et al. (1984) are applied in this experiment. The measured cross section is analyzed in terms of a Herzberg continuum and a pressure-dependent continuum. The total measured continuum cross section, the cross section involving two molecules of O2, and the Herzberg continuum absorption cross section values are calculated. It is observed that the Herzberg continuum cross section of oxygen values measured at 1 nm intervals in the region 195-241 nm, increase from 6.3 x 10 to the -24th sq cm at 195 nm to a maximum of 6.6 x 10 to the -24th sq cm at 201 nm and then decrease to 0.85 x 10 to the -24th sq cm at 241 nm. The Herzberg values are compared with data from previous investigations and the values correlate well.

Cheung, A. S.-C.↗

NASA NTRS1986

A model of the Schumann-Runge continuum of O2

Ab initio calculations of the B3Sigma sub u(-) potential energy curve of O2 are reported together with the transition moment connecting the B3Sigma sub u(-) and the ground electronic states. Photodissociation cross sections are presented over the wavelength region 127-152 nm. Small adjustments to the potential energy curve and the transition moment lead to a model of the absorption which agrees well with the experimental cross sections and which reproduces the structural features observed on the high-energy edge. The shoulder at 135.6 nm is attributed to the lowest 3Pi sub u state and the auxiliary maxima to transitions into the B3Sigma sub u(-) state.

Allison, A. C.↗

NASA NTRS1985

Theoretical studies of dissociative recombination

The calculation of dissociative recombination rates and cross sections over a wide temperature range by theoretical quantum chemical techniques is described. Model calculations on electron capture by diatomic ions are reported which illustrate the dependence of the rates and cross sections on electron energy, electron temperature, and vibrational temperature for three model crossings of neutral and ionic potential curves. It is shown that cross sections for recombination to the lowest vibrational level of the ion can vary by several orders of magnitude depending upon the position of the neutral and ionic potential curve crossing within the turning points of the v = 1 vibrational level. A new approach for calculating electron capture widths is reported. Ab initio calculations are described for recombination of O2(+) leading to excited O atoms.

Guberman, S. L.↗

NASA NTRS1985

Molecular processes in a high temperature shock layer

The development of techniques for the calculation of electron capture widths, electronic wave functions, cross sections and rates needed for the description of the dissociative recombination (DR) of molecular ions with electrons were described. The cross sections and rates were calculated by using harmonic oscillator wave functions for the ion and a delta function approximation for the continuum vibrational wave function in the repulsive dissociative channel. In order to obtain DR cross sections of quantitative accuracy, a computer program which solves the one dimensional nuclear motion wave equation was revised to calculate the cross sections and rates. The program and the new results are described. Included is a discussion of large windows found in the dissociative recombination cross sections from excited ion vibrational levels. These windows have not been previously reported in the literature. The magnitude of the DR cross sections for several dissociative routes are sensitive to the location of the crossing of the neutral and ion potential curves. Studies of the effects of basis set and CI wave function size on vertical excitation energies are described. Preliminary studies on N2 and O2 using large scale wave functions are also reported.

Guberman, S. L.↗

NASA NTRS1984

Molecular processes in a high temperature shock layer

Models of the shock layer encountered by an Aeroassisted Orbital Transfer Vehicle require as input accurate cross sections and rate constants for the atomic and molecular processes that characterize the shock radiation. From the estimated atomic and molecular densities in the shock layer and the expected residence time of 1 m/s, it can be expected that electron-ion collision processes will be important in the shock model. Electron capture by molecular ions followed by dissociation, e.g., O2(+) + e(-) yields 0 + 0, can be expected to be of major importance since these processes are known to have high rates (e.g., 10 to the -7th power cu/cm/sec) at room temperature. However, there have been no experimental measurements of dissociative recombination (DR) at temperatures ( 12000K) that are expected to characterize the shock layer. Indeed, even at room temperature, it is often difficult to perform experiments that determine the dependence of the translational energy and quantum yields of the product atoms on the electronic and vibrational state of the reactant molecular ions. Presented are ab initio quantum chemical studies of DR for molecular ions that are likely to be important in the atmospheric shock layer.

Guberman, S. L.↗

NASA NTRS1983

The doubly excited autoionizing states of H2

Neutral doubly excited states of H2 lie in the Franck-Condon region at energies beyound 23 eV above the ground state of H2. These repulsive resonance states may autoionize yielding H2(+) + e(-), H + H(+) + e(-) or dissociate to neutral ground and excited H atoms or H(+) + H(-). These processes are important in determining the thermal balance of interstellar clouds and the chemistry of the Jovian atmosphere. The present investigation is concerned with ab initio calculations of 24 autoionizing states of H2 which have mostly the 2 Sigma u + and first excited 2 Pi u states of H2(+) as the core orbital near R = 1. 4a(0). Of the 24 states reported, 14 have not appeared previously in the literature. For four of the remaining ten states an energy at only a single internuclear distance has been previously reported.

Guberman, S. L.↗

NASA NTRS1983

Dissociative recombination of O2(+), NO(+) and N2(+)

A new L(2) approach for the calculation of the threshold molecular capture width needed for the determination of DR cross sections was developed. The widths are calculated with Fermi's golden rule by substituting Rydberg orbitals for the free electron continuum coulomb orbital. It is shown that the calculated width converges exponentially as the effective principal quantum number of the Rydberg orbital increases. The threshold capture width is then easily obtained. Since atmospheric recombination involves very low energy electrons, the threshold capture widths are essential to the calculation of DR cross sections for the atmospheric species studied here. The approach described makes use of bound state computer codes already in use. A program that collects width matrix elements over CI wavefunctions for the initial and final states is described.

Guberman, S. L.↗