Inelastic molecular scattering
Molecular beam study of vibrational state population ratio changes for CsF colliding with CO2, and inelastic scattering theory
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Molecular beam study of vibrational state population ratio changes for CsF colliding with CO2, and inelastic scattering theory
Supernumerary rainbows in small angle molecular scattering and indications of intermolecular size parameter
Sampling techniques have been used previously to evaluate Jacobian determinants that occur in classical mechanical descriptions of molecular scattering. These determinants also occur in the quasiclassical approximation. A new technique is described which can be used to evaluate Jacobian determinants which occur in either description. This method is expected to be valuable in the study of reactive scattering using the quasiclassical approximation.
Glorified shadows in molecular beam scattering, considering undulation spacing, bound states number and extrema amplitudes in terms of optical analogies
A method for calculating the photodissociation rates needed for photochemical modeling of the stratosphere, which includes the effects of molecular scattering, is described. The procedure is based on Sokolov's method of averaging functional correction. The radiation model and approximations used to calculate the radiation field are examined. The approximated diffuse fields and photolysis rates are compared with exact data. It is observed that the approximate solutions differ from the exact result by 10 percent or less at altitudes above 15 km; the photolysis rates differ from the exact rates by less than 5 percent for altitudes above 10 km and all zenith angles, and by less than 1 percent for altitudes above 15 km.
The general status of a grant to investigate the applications of quantum theory in atomic and molecular scattering problems in hypersonic flow is summarized. Abstracts of five articles and eleven full-length articles published or submitted for publication are included as attachments. The following topics are addressed in these articles: fragmentation of heavy ions (HZE particles); parameterization of absorption cross sections; light ion transport; emission of light fragments as an indicator of equilibrated populations; quantum mechanical, optical model methods for calculating cross sections for particle fragmentation by hydrogen; evaluation of NUCFRG2, the semi-empirical nuclear fragmentation database; investigation of the single- and double-ionization of He by proton and anti-proton collisions; Bose-Einstein condensation of nuclei; and a liquid drop model in HZE particle fragmentation by hydrogen.
A technique is described which can be used to evaluate Jacobian determinants which occur in classical mechanical and quasiclassical approximation descriptions of molecular scattering. The method may be valuable in the study of reactive scattering using the quasiclassical approximation.
Quantum effects in elastic scattering of atoms and molecules, noting classical treatment
Close-coupled calculations have been carried out on collisions of helium and carbon monoxide interacting via a theoretical interaction potential which is believed to reproduce accurately the true interaction of this system. These are compared with an equivalent set of calculations for the spherical average of this potential. It is concluded that the latter approximation holds reasonably well for transport-property calculations but not for differential and total scattering cross sections. As a consequence, conservation of scattering-cross-section theorems that are based on this interaction potential do not hold well.
Accurate close coupling scattering calculations are presented for thermal energy HCl-He collisions. The interaction potential is obtained from the Gordon-Kim electron gas model, adjusted to have the correct long-range multipole form. A variety of phenomenological cross sections are computed from the close coupling S matrix, and these are compared with results from several commonly employed approximate methods. In particular, it is found that the total integral, total differential, and gas kinetic cross sections are accurately predicted by the central field approximation which retains just the spherical average of the interaction. Integral inelastic cross sections are represented quite accurately by the coupled states approximation of McGuire and Kouri, but only qualitatively by the effective potential method of Rabitz.
Two dimensionality-reducing approximations, the j sub z-conserving coupled states (sometimes called the centrifugal decoupling) method and the effective potential method, were applied to collision calculations of He with CO and with HCl. The coupled states method was found to be sensitive to the interpretation of the centrifugal angular momentum quantum number in the body-fixed frame, but the choice leading to the original McGuire-Kouri expression for the scattering amplitude - and to the simplest formulas - proved to be quite successful in reproducing differential and gas kinetic cross sections. The computationally cheaper effective potential method was much less accurate.
The reported analysis is based on the factored IOS T-matrix. It is shown that line shape measurements may be used over a range of temperatures to evaluate inelastic scattering cross sections. Basic factorization or parameterization relations are derived by considering the wavefunction equations. The parameterization of cross sections is considered, taking into account the differential scattering amplitude and cross section, integral cross sections, phenomenological cross sections for general relaxation processes, and viscosity and diffusion cross sections. Thermal averages and rates are discussed, giving attention to integral cross sections and rates, and general phenomenological cross sections. The results of computational studies are also presented.
An examination of possible laser operating parameters for power transmission to earth from solar power satellites is presented, with particular attention paid to assuring optimal delivery at midlatitudes. The degradation of beam efficiency due to molecular scattering, molecular absorption, aerosol scattering, and aerosol absorption during beam propagation through the atmosphere can be alleviated by judicious choice of wavelength windows, elevating the receptor sites, using a vertical propagation path, or by hole boring, i.e., vaporizing the aerosol particles in the beam path. Analyses are given for the beam propagation through fog, haze, clouds, and snow using various transitions. Only weapons-quality lasers are seen as being capable of boring through clouds and aerosols, employing a CW beam with superimposed pulses at high power densities. It is concluded that further short wavelength transmission experiments be performed to demonstrate transmission feasibility with the CW/pulsed mode of beam propagation.
Improved parameters for the description of Rayleigh scattering in air and for the detailed rotational Raman scattering component for scattering by O2 and N2 are presented for the wavelength range 200-1000 nm. These parameters enable more accurate calculations of bulk molecular scattering and of the 'Ring effect' for a variety of atmospheric radiative transfer and constituent retrieval applications. A solar reference spectrum with accurate absolute vacuum wavelength calibration, suitable for convolution with the rotational Raman spectrum for Ring effect calculations, has been produced and is briefly described. The solar-rotational Raman convolved product is available for fitting of atmospheric spectra.
Molecular weight determination of polymers from angular dependence of light scattering
Molecular rotations and kinetics from spectral features of molecular Raman spectra, using light scattering spectroscopy
Quantum mechanics in small angle molecular beam scattering
In this presentation we describe the application of a previously developed technique that is now being used to correct the daytime polarization calibration of the CALIPSO lidar. The technique leverages the fact that the solar radiation background signals from dense cirrus clouds are largely unpolarized due to the internal multiple reflections within the non-spherical ice particles and the multiple scattering that occurs among these particles. Therefore, the ratio of polarization components of the cirrus background signals provides a good estimate for the polarization gain ratio (PGR) of the lidar. Using airborne backscatter lidar measurements, this technique was demonstrated to work well in the infrared regime. However, in the visible and ultraviolet regime, the molecular contribution is too large to be ignored, and thus corrections must be applied to account for the highly polarizing characteristics of the molecular scattering. Ignoring molecular scattering contributions can cause PGR errors of 2-3% at 532 nm, where the CALIPSO lidar makes its depolarization measurement. Because of the wavelength dependence of -4 of the molecular scattering, the PGR error can be even larger at the 355 nm wavelength that will be used by ESA’s EarthCARE lidar. To correct the molecular scattering contributions to the lidar received solar background signal, a look-up table has been created using a polarization-sensitive radiative transfer model. This presentation describes the theory and implementation of the molecular scattering correction.