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At least 271 records · Page 15

An Idealized Short Period Comet Model: Surface Insolation, H2O Flux, Dust Flux and Mantle Evolution

The present cometary activity model integrates feedback processes that involve the transport of heat, gas, and dust, as well as dust mantle development, and includes the effects of latitude, rotation, and spin orientation. Attention is given to the development, structural change, and distribution of dust mantles and their mutual interaction with ice surface temperature and gas and dust production. The results obtained suggest that an initially homogeneous, short period comet with a cosmic dust to water ice ratio, as well as typical orbit, rotation rate, and grain size distribution, would develop only a thin, less than 1 mm cyclic mantle at all points on the nucleus. Most H2O dust histories deduced from brightness data are noted to be in reasonable agreement with the model, allowing for uncertainty in radius and albedo. The exceptional case of Comet Encke is discussed.

Fanale, F. P.↗

An idealized short-period comet model - Surface insolation, H2O flux, dust flux, and mantle evolution

The present cometary activity model integrates feedback processes that involve the transport of heat, gas, and dust, as well as dust mantle development, and includes the effects of latitude, rotation, and spin axis orientation. Attention is given to the development, structural change, and distribution of dust mantles and their mutual interaction with ice surface temperature and gas and dust production. The results obtained suggest that an initially homogeneous, short period comet with a cosmic dust-to-water ice ratio, as well as typical orbit, rotation rate, and grain size distribution, would develop only a thin, less than 1 mm cyclic mantle at all points on the nucleus. Most H2O dust histories deduced from brightness data are noted to be in reasonable agreement with the model, allowing for uncertainty in radius and albedo. The exceptional case of Comet Encke is discussed.

Fanale, F. P.↗

Lambda-doublet transfer and propensities in collisions of OH (X2Pi/i/, v = 2) with H2O

The present work is concerned with the changes in electronic parity (e/f states) during rotationally elastic and inelastic collisions. In the OH X2Pi(i) molecule considered in the study, the differences in the e/f state production in the photodissociation of both H2O and HONO1, in the H + O2 reaction, and in the initial-state-unselected H2-OH collisions, have been experimentally examined.

Copeland, R. A.↗

Utilization of membranes for H2O recycle system

Conceptual studies of closed ecological life support systems (CELSS) carried out at NAL in Japan for a water recycle system using membranes are reviewed. The system will treat water from shower room, urine, impure condensation from gas recycle system, and so on. The H2O recycle system is composed of prefilter, ultrafiltration membrane, reverse osmosis membrane, and distillator. Some results are shown for a bullet train of toilet-flushing water recycle equipment with an ultraviltration membrane module. The constant value of the permeation rate with a 4.7 square meters of module is about 70 1/h after 500th of operation. Thermovaporization with porous polytetrafluorocarbon membrane is also proposed to replce the distillator.

Ohya, H.↗

Photolysis products of CO, NH3 aND H2O and their significance to reactions on interstellar grains

With the increase in evidence that interstellar grains are the basic building blocks of comets and with the realization that comet collisions with the earth have probably occured at a much higher frequency than earlier assumed it may be presumed that interstellar dust chemistry played an important role in the early chemistry of the earth. As a part of the study of the photochemical processes taking place on interstellar grains the photolysis of mixtures of CO, NH3 and H2O was performed at 10 K, 77K and 298K. The reaction products were determined by GC/MS and HPLC analysis to be lactic acid, glycolic acid, hydroxyacetamide, urea, biuret, oxamic acid, oxamide, glyceric acid and glyceramide. Ethylene glycol and glycerol were also detected but is is not clear at present whether these are true photoproducts or contaminants. The mechanism of formation of these molecules are discussed as well as their possible significance to the origins of life.

Ferris, J. P.↗

Benchmark full configuration-interaction calculations on H2O, F- and F

Full configuration-interaction calculations are reported, and compared to other methods, for H2O at its equilibrium geometry and at two geometries with the H-O bonds stretched. Since the percentage of the self-consistent field (SCF) reference in the full configuration-interaction (FCI) wave function decreases greatly with the bond elongation, the accuracy of techniques based on a single reference do not compare well with the FCI results. However, the results from a complete active space SCF/multireference configuration-interaction (CASSCF/MRCI) treatment are in good agreement with the FCI. Correlation effects in F compared to Ne are far more similar than for F- compared to Ne, despite F- and Ne being isoelectronic. Since the importance of higher than double excitations is more important for F- than F, a very high percentage of the correlation must be obtained to accurately compute the electron affinity. In a CASSCF/MRCI treatment the higher than quadruple excitations contribute 0.02 eV to the electron affinity (EA), even for modest basis sets.

Bauschlicher, C. W., Jr.↗

The sublimation temperature of the cometary nucleus Observational evidence for H2O snows

It is shown that information on the chemical composition of cometary snows can be inferred from the distance r(0) between sublimating states in the cometary nucleus. Consideration is given to three techniques for measuring r(0): estimation of the dependence on distance of non-gravitational forces (NGF); estimation of the dependence on distance of molecular emissions; and (3), analysis of the cometary light curve. The dependence on distance of the NGFs suggests that the observed sublimations of short-period coments are determined by water snow. Light curves of newly discovered comets appear to confirm this result. The large production rates of H and OH in cometary atmospheres suggest that they are due to dissociation of H2O in the vapor states. Estimates of r(0) for eleven different comets are given in a table.

Delsemme, A. H.↗

Photochemical reactions in interstellar grains photolysis of CO, NH3, and H2O

The interstellar grains are currently considered to be the basic building blocks of comets and, possibly, meteorites. To test this theory, a simulation of the organic layer accreted onto interstellar dust particles was prepared by slow deposition of a CO:NH3:H2O gas mixture on an Al block at 10 K, with concomitant irradiation with vacuum UV. The results of the HPLC and IR analyses of the nonvolatile residue formed by photolysis at 10 K are compared with those observed at 77 K and 298 K. Some of the compounds that may be present on the surfaces of interstellar dust particles have been identified, and some specific predictions concerning the types of molecular species present in comets could be drawn. The results also suggest that photochemical reactions may have been important for the formation of meteorite components. The implication of the findings to the questions of the source of organic matter on earth and the origin of life are discussed.

Agarwal, V. K.↗

SiO and H2O maser emission in OH/IR objects and late-type variable stars

A four-year search for 86-GHz SiO and H2O maser emission towards about 20 unidentified OH/IR objects and about 35 optically identified variable stars has yielded information on the temporal variations of many of these sources. The SiO maser emission is noted to behave differently in OH/IR objects as compared with Mira variables. An attempt is made to explain the appearance of strong masers in both vibrational states solely at the 43 GHz transition, under the assumption that an intrinsically weak pump mechanism generates weak (v=1, J=2-1) emission.

Nyman, L.-A.↗

Studies of electron-molecule collisions - Applications to e-H2O

Elastic differential and momentum transfer cross sections for the elastic scattering of electrons by H2O are reported for collision energies from 2 to 20 eV. These fixed-nuclei static-exchange cross sections were obtained using the Schwinger variational approach. In these studies the exchange potential is directly evaluated and not approximated by local models. The calculated differential cross sections, obtained with a basis set expansion of the scattering wave function, agree well with available experimental data at intermediate and larger angles. As used here, the results cannot adequately describe the divergent cross sections at small angles. An interesting feature of the calculated cross sections, particularly at 15 and 20 eV, is their significant backward peaking. This peaking occurs in the experimentally inaccessible region beyond a scattering angle of 120 deg. The implication of this feature for the determination of momentum transfer cross sections is described.

Brescansin, L. M.↗

Benchmark full configuration-interaction calculations on H2O, F, and

Full configuration-interaction calculations are reported, and compared to other methods, for H2O at its equilibrium geometry and at two geometries with the H-O bonds stretched. Since the percentage of the self-consistent field (SCF) reference in the full configuration-interaction (FCI) wave function decreases greatly with the bond elongation, the accuracy of techniques based on a single reference do not compare well with the FCI results. However, the results from a complete active space SCF/multireference configuration-interaction (CASSCF/MRCI) treatment are in good agreement with the FCI. Correlation effects in F compared to Ne are far more similar than for Fcompared to Ne, despite F- and Ne being isoelectronic. Since the importance of higher than double excitations is more important for F- than F, a very high percentage of the correlation must be obtained to accurately compute the electron affinity. In a CASSCF/MRCI treatment the higher than quadruple excitations contribute 0.02 eV to the electron affinity (EA), even for modest basis sets.

Bauschlicher, C. W., Jr.↗

Simultaneous measurement of stratospheric O3, H2O, CH4, and N2O profiles from infrared limb thermal emissions

Thermal emission measurements of the earth's stratospheric limb were made with a cryogenically cooled high-resolution Michelson interferometer on a balloon flight launched from Palestine, TX, on Nov. 6, 1984. Infrared spectra for complete limb sequences were obtained over portions of the 700-1940/cm range with an unapodized spectral resolution of 0.03/cm for tangent heights varying from 13 to 39 km. The observed data from 1125 to 1425/cm have been analyzed for simultaneous measurement of O3, H2O, CH4, and N2O profiles. The analysis employs line-by-line and layer-by-layer radiative-transfer calculations, including curvature and refraction effects. The optimum use of geometric and spectral effects is made to obtain sharply peaked weighting functions. Contributions from stratospheric aerosol are included by measuring the light extinction within the window regions of the observed spectra. The retrieved constituent profiles are compared with measurements made with a variety of techniques by other groups. The comparison shows good agreement with the published data for all gases, indicating the capability of retrieving trace gas profiles from high-resolution thermal emission limb measurements.

Abbas, M. M.↗

Investigation of Martian H2O and CO2 via orbital gamma ray spectroscopy

The capability of an orbital gamma ray spectrometer to address presently unanswered questions concerning H2O and CO2 on Mars is investigated. The gamma ray signal produced by the Martian atmosphere and by several simple models of Martian surface materials is calculated. Results are reported for: (1) the production of neutrons in the atmosphere and in the subsurface material by cosmic ray interactions, (2) the scattering of neutrons and the resultant neutron energy spectrum and spatial distributions, (3) the reproduction of gamma rays by neutron prompt capture and nonelastic scatter reactions, (4) the production of gamma rays by natural radionuclides, (5) the attenuation of the gamma ray signal by passage through surface materials and the Martian atmosphere, (6) the production of the gamma ray continuum background, and (7) the uncertainty in gamma ray line strengths that results from the combined signal and background observed by the detector.

Evans, Larry G.↗

Coadsorption of H2O and CO2 on the Martian surface

The adsorption of both CO2 and H2O was measured, under conditions of temperature and partial pressure similar to Mars, for a variety of absorbents. Both adsorb at coverages that exceed a monolayer at their respective Martian abundances. Clearly, their simultaneous presence in the Martian atmosphere will result in coadsorption of both at concentrations that may differ greatly from those measured during separate measurements. To the best of our knowledge, no data exists on the coadsorption of both gases. Co-adsorption experiments were begun and pertinent results will be reported. In the meantime the predicted behavior of such a system was mathematically explored as a compliment to the data, and to aid in its eventual interpretation.

Zent, A. P.↗

Simulations of the HDO and H2O-18 atmospheric cycles using the NASA GISS general circulation model - The seasonal cycle for present-day conditions

The cycles of the water isotopic species (HDO and H2O-18) have been incorporated into the NASA Goddard Institute for Space Studies atmospheric general circulation model (GCM). The results of a three-year simulation for present-day conditions are discussed, with special emphasis on the comparison between predicted and observed isotopic distributions for both the seasonal and annual time scales. The observed seasonal cycles are generally well simulated. For the annual scale the observed linear relationship between delta O-18 and the surface temperature at middle and high latitudes, as well as the absence of any correlation between these fields in tropical and equatorial regions, are properly obeyed by the GCM simulation. In the tropical and equatorial regions the delta O-18 patterns for both observations and the GCM are influenced by the amount of rainfall. There is excellent agreement between the simulated and observed delta D-delta O-18 relationship throughout the world.

Jouzel, J.↗

Kinetics of the reaction OH + HO2 yields H2O + O2 from 254 to 382 K

The discharge-flow resonance fluorescence technique has been used to determine the absolute rate constant for the reaction OH + HO2 yields H2O + O2 from 254 to 382 K at a total pressure of 1 Torr. Pseudo-=first-order conditions were used with HO2 in large excess over OH. The rate constant was obtained directly from observed decays of OH and measured concentrations of HO2. Since the observed rate constant was found to be very sensitive to small background concentrations of O and H atoms, NO2 was used to remove both atom species from the system. With added NO2 the result at 299 K is (1.1 + or - 0.3) x 10 to the -10th cu cm/molecule where the error limits are one standard deviation and include an estimate of overall experimental uncertainty. The temperature dependence expressed in Arrhenius form is (4.8 + or - 0.8) x 10 to the -11th exp (250 + or - 50)/T. The results are independent of the type of reactor surface and the precursor used to produce OH and HO2. The present results agree well with earlier measurements near 1-atm total pressure and suggest that this rate constant exhibits little or no pressure dependence between 1 and 1000 Torr.

Keyser, Leon F.↗

Intermolecular potential for thermal H2O-He collisions

Theoretical potentials for rotational excitation of H2O by He were constructed via several methods, all of which start with a large basis set SCF interaction. The semiempirical Hartree-Fock with damped dispersion model adds a damped long-range attraction with parameters adjusted to fit experimental total differential cross sections. Purely ab initio potentials add correlation energies obtained via perturbation theory (MP2 and MP4) or a variational method (ICF1). Scattering calculations were performed on all surfaces to compare wih available beam scattering and pressure broadening data and to assess sensitivity of state-to-state rates to uncertainties in the potential. From comparison with the limited experimental data, the ICF1 surface appears to be marginally better than the MP4 surface. Thermal rates calculated from this surface should be accurate to better than 50 percent, at least for the larger, more important rates.

Palma, Amedeo↗

Heterogeneous reactions of N2O5 with H2O and HCl on ice surfaces - Implications for Antarctic ozone depletion

This paper reports on the measurements of reaction probabilities for heterogeneous reaction of N2O5 with H2O and HCl on ice surfaces at 195 K, using a fast-flow reactor coupled with a quadrupole mass spectrometer. The reaction probability for N2O5 on pure-water ice was found to be 0.028 + or - 0.011, with nitric acid in the solid phase as the sole product. In the presence of HCl in ice, the probability of N2O5 reaction was enhanced (to 0.037); the reaction produced, besides solid-phase nitric acid, ClNO2 and ClONO which were released into the gas phase within a few milliseconds. The latter two compounds can be readily photolyzed in the austral spring to form active chlorine which would remove stratospheric ozone. It is suggested that, since the polar stratospheric clouds are believed to contain HCl-ice mixture on the surface, the reactions of N2O5 on H2O/HCl particles is a major factor in the Antarctic springtime ozone depletion.

Leu, Ming-Taun↗