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NASA NTRS1991

High-temperature properties of gases

Computational chemistry is being applied at NASA Ames Research Center to a variety of problems in chemistry, physics, and materials sciences. Supercomputers and modern computational chemistry techniques have provided a powerful new tool to help fill NASA's continuing need for information about the properties of gases and materials as well as their interaction. For example, radiative transition probabilities, spectroscopic constants, bond dissociation energies, transport properties, and chemical reaction rates for molecules can be determined computationally just as reliably as by experiment. Recent results on the radiative transition probabilities of the strongly radiating systems of air species, based on state-of-the-art computational chemistry calculations, are presented and compared with experimental data.

Cooper, David M.↗

NASA NTRS1992

Colorimetric Detection Of Substances In Liquids And Gases

Thin polymer films containing solvatochromic dyes used as sensing elements to detect substances dissolved in liquids and gases. Dyes do not react with liquids in which dissolved, but do respond to changes in chemical compositions by changing color. Concentration determined visually by comparison of color with predetermined standard chart, or spectrophotometrically.

Harris, J. Milton↗

NASA NTRS1990

Far infrared balloon-based limb emission measurements of HO(sub x) gases in the middle atmosphere

The aim of the measurements is to obtain vertical mixing of profiles of hydrogen and halogen trace gases and to study the related processes of diurnal change, OH/HO2 ratio, and HO sub x total budget involved in stratospheric ozone. The species to be measured in the first planned 1990 flight of this new series include OH, H2O2, HO2, HOCl, HBr, HCl, HF, H2O, HDO, O3, and isotopic O3. Recent analyses have been completed for the retrieval of the OH concentration profile and the first measurement of the HBr column concentration.

Russell, James M., III↗

NASA NTRS1992

Radiative energy transfer in molecular gases

Basic formulations, analyses, and numerical procedures are presented to study radiative interactions in gray as well as nongray gases under different physical and flow conditions. After preliminary fluid-dynamical considerations, essential governing equations for radiative transport are presented that are applicable under local and nonlocal thermodynamic equilibrium conditions. Auxiliary relations for relaxation times and spectral absorption models are also provided. For specific applications, several simple gaseous systems are analyzed. The first system considered consists of a gas bounded by two parallel plates having the same temperature. Within the gas there is a uniform heat source per unit volume. For this system, both vibrational nonequilibrium effects and radiation conduction interactions are studied. The second system consists of fully developed laminar flow and heat transfer in a parallel plate duct under the boundary condition of a uniform surface heat flux. For this system, effects of gray surface emittance are studied. With the single exception of a circular geometry, the third system is considered identical to the second system. Here, the influence of nongray walls is also studied.

Tiwari, Surendra N.↗

NASA NTRS1989

The determination of accurate dipole polarizabilities alpha and gamma for the noble gases

The static dipole polarizabilities alpha and gamma for the noble gases helium through xenon were determined using large flexible one-particle basis sets in conjunction with high-level treatments of electron correlation. The electron correlation methods include single and double excitation coupled-cluster theory (CCSD), an extension of CCSD that includes a perturbational estimate of connected triple excitations, CCSD(T), and second order perturbation theory (MP2). The computed alpha and gamma values are estimated to be accurate to within a few percent. Agreement with experimental data for the static hyperpolarizability gamma is good for neon and xenon, but for argon and krypton the differences are larger than the combined theoretical and experimental uncertainties. Based on our calculations, we suggest that the experimental value of gamma for argon is too low; adjusting this value would bring the experimental value of gamma for krypton into better agreement with our computed result. The MP2 values for the polarizabilities of neon, argon, krypton and zenon are in reasonabe agreement with the CCSD and CCSD(T) values, suggesting that this less expensive method may be useful in studies of polarizabilities for larger systems.

Rice, Julia E.↗

NASA NTRS1991

Composition of solar flare noble gases preserved in meteorite parent body regolith

Isotopic composition of solar-flare (SF) Ne was determined in acid-etched pyroxene mineral separates from the Kapoeta meteorite, a brecciated meteorite known to contain implanted solar gases. The results yield the SF Ne-20/Ne-22 ratio of 11.6 +/-0.2, confirming previous determinations of this SF ratio in lunar and meteoritic samples. The same SF Ne composition was also obtained by applying an ordinate intercept technique to the same data set. The ordinate intercept technique was then applied to the Ar and He data. The results are SF Ar-36/Ar-38 = 4.9 +/-0.1 and SF He-4/He-3 = 3800 +/-200. These values are significantly different from the solar-wind (SW) Ar and He values. It is estimated that the concentration of the SF component in Kapoeta pyroxenes is about 20 percent that of the SW component, orders of magnitude higher than expected from SW and SF proton flux measurements.

Rao, M. N.↗

NASA NTRS1992

Maxwell's second- and third-order equations of transfer for non-Maxwellian gases

Condensed algebraic forms for Maxwell's second- and third-order equations of transfer are developed for the case of molecules described by either elastic hard spheres, inverse-power potentials, or by Bird's variable hard-sphere model. These hardly reduced, yet exact, equations provide a new point of origin, when using the moment method, in seeking approximate solutions in the kinetic theory of gases for molecular models that are physically more realistic than that provided by the Maxwell model. An important by-product of the analysis when using these second- and third-order relations is that a clear mathematical connection develops between Bird's variable hard-sphere model and that for the inverse-power potential.

Baganoff, D.↗

NASA NTRS1992

Relaxation of higher vibrational states in diatomic gases

A general and computationally efficient approach evaluating the transition probabilities for the V-T exchange, involving highly excited levels and the transitions of delta-v of more than 1, in diatomic gases is presented. The role of the repulsive part of the intermolecular potential on the transition probability is also investigated. Examples of numerical results are given for number of transitions in nitrogen and oxygen molecules in the ground electronic states. The approach can be used for interactions involving diatomic molecular ions.

Kunc, J. A.↗

NASA NTRS1992

Viscosity of dissociating gases

Recent calculations of the viscosity of iodine suggest that existing predictions of viscosities of high-temperature (up to several thousands degrees) gases should be revised, with much more attention being paid to the atomic and molecular interactions in the gas. As the gas starts to dissociate, the frequency of atom-molecule and atom-atom interactions increases, and those collisions must be taken into account in calculations of viscosity at high temperature. In this study, the iodine is chosen as an example, and the dependence of its viscosity on the gas dissociation degree is shown. Several possible channels for I+I interaction are considered in addition to I+I2 and I2+I2 collisions, and the resulting collision integrals are averaged over all the important channels.

Kang, S. H.↗

NASA NTRS1991

Open-path tunable diode laser absorption for eddy correlation flux measurements of atmospheric trace gases

Biogenic emissions from and dry deposition to terrestrial surfaces are important processes determining the trace gas composition of the atmosphere. An instrument has been developed for flux measurements of gases such as CH4, N2O, and O3 based on the eddy correlation technique which combines trace gas fluctuation measurements with simultaneous windfield measurements. The instrument combines a tunable diode laser infrared light source with an open-path multipass absorption cell in order to provide the fast time response and short base pathlength required for the eddy correlation method. Initial field tests using the instrument to measure methane emissions from a local wetland demonstrate the capability for high precision eddy correlation flux measurements.

Anderson, Stuart M.↗

NASA NTRS1992

A new numerical model of the middle atmosphere. I - Dynamics and transport of tropospheric source gases

Attention is given to a new model of the middle atmosphere which includes, in addition to the equations governing the zonal mean state, a potential vorticity equation for a single planetary-scale Rossby wave, and an IR radiative transfer code for the stratosphere and lower mesosphere, which replaces the Newtonian cooling parameterization used previously. It is shown that explicit computation of the planetary-scale wave field yields a more realistic representation of the zonal mean dynamics and the distribution of trace chemical species. Wave breaking produces a well-mixed 'surf zone' equatorward of the polar night vortex and drives a meridional circulation with downwelling on the poleward side of the vortex. This combination of mixing and downwelling produces shallow meridional gradients of trace gases in the subtropics and middle latitudes, and very steep gradients at the edge of the polar vortex. Computed distributions of methane and nitrous oxide are shown to agree well with observations.

Garcia, Rolando R.↗

NASA NTRS1992

Infrared spectroscopic measurements of tropospheric trace gases

Absorption features of several trace gases have been detected in 0.017-cm-resolution infrared spectra recorded over surface-level paths of 0.5 and 1.5 km at the National Solar Observatory on Kitt Peak, near Tucson, Arizona. Measurements of O3, HCOOH, NH3, and H2CO are briefly discussed.

Rinsland, Curtis P.↗

NASA NTRS1993

Emissions of sulfur gases from marine and freshwater wetlands of the Florida Everglades - Rates and extrapolation using remote sensing

Rates of emissions of the biogenic sulfur (S) gases carbonyl sulfide (COS), methyl mercaptan (MSH), dimethyl sulfide (DMS), and carbon disulfide (CS2) were measured in a variety of marine and freshwater wetland habitats in the Florida Everglades during a short duration period in October using dynamic chambers, cryotrapping techniques, and gas chromatography. The most rapid emissions of over 500 nmol/sq m/h occurred in red mangrove-dominated sites that were adjacent to open seawater and contained numerous crab burrows. Poorly drained red mangrove sites exhibited lower fluxes of about 60 nmol/sq m/h, which were similar to fluxes from the black mangrove areas which dominated the marine-influenced wetland sites in the Everglades. DMS was the dominant organo-S gas emitted especially in the freshwater areas. Spectral data from a scene from the Landsat TM were used to map habitats in the Everglades. Six vegetation categories were delineated using geographical information system software and S gas emissions were extrapolated for the entire Everglades National Park. The black mangrove-dominated areas accounted for the largest portion of S gas emissions to the area. The large area extent of the saw grass communities accounted for about 24 percent of the total S emissions.

Hines, Mark E.↗

NASA NTRS1992

In-situ release of solar wind gases from lunar soil

A concept is described which has the potential to perform the in situ heating of the lunar regolith in order to release the solar wind gases. The poor thermal conductivity of the lunar soil is increased approximately 100-fold by the introduction of an artificial hydrogen atmosphere at 1 atm pressure enclosed in an inflatable structure. The leakage rate of H2 through the soil is minimal because of the close-packed nature of the soil and the design and operation of the facility.

Wittenberg, Layton J.↗

NASA NTRS1938

Heat Transfer to Fuel Sprays Injected into Heated Gases

This report presents the results of a study made of the influence of several variables on the pressure decrease accompanying injection of a relatively cool liquid into a heated compressed gas. Indirectly, this pressure decrease and the time rate of change of it are indicative of the total heat transferred as well as the rate of heat transfer between the gas and the injected liquid. Air, nitrogen, and carbon dioxide were used as ambient gases; diesel fuel and benzene were the injected liquids. The gas densities and gas-fuel ratios covered approximately the range used in compression-ignition engines. The gas temperatures ranged from 150 degrees c. to 350 degrees c.

Selden, Robert F↗

NASA NTRS1956

Spark ignition of flowing gases

Research conducted at the NACA Lewis Laboratory on ignition of flowing gases by means of long-duration discharges is summarized and analyzed. Data showing the effect of a flowing combustible mixture on the physical and electrical characteristics of spark discharges and data showing the effects of variables on the spark energy required for ignition that has been developed to predict the effect of many of the gas-stream and spark variables is described and applied to a limited amount of experimental data.

Swett, Clyde C , Jr↗

NASA NTRS1949

Spark ignition of flowing gases I : energies to ignite propane-air mixtures in pressure range of 2 to 4 inches mercury absolute

Ignition studies of flowing gases were made to obtain information applicable to ignition problems in gas-turbine and ram-jet aircraft propulsion systems operating at altitude conditions.Spark energies required for ignition of a flowing propane-air mixture were determined for pressure of 2 to 4 inches mercury absolute, gas velocities of 5.0 to 54.2 feet per second, fuel-air ratios of 0.0607 to 0.1245, and spark durations of 1.5 to 24,400 microseconds. The results showed that at a pressure of 3 inches mercury absolute the minimum energy required for ignition occurred at fuel-air ratios of 0.08 to 0.095. The energy required for ignition increased almost linearly with increasing gas velocity. Shortening the spark duration from approximately 25,000 to 125 microseconds decreased the amount of energy required for ignition. A spark produced by the discharge of a condenser directly into the spark gap and having a duration of 1.5 microseconds required ignition energies larger than most of the long-duration sparks.

Swett, Clyde C , Jr↗

NASA NTRS1993

Nitrogen and noble gases in a glass sample from LEW88516

The Antarctic meteorite LEW88516 has been classified as a member of the SNC group of meteorites, specifically a shergottite. It is reported to be remarkably similar in mineralogy, petrogenesis and chemistry to the previously known ALH77005 shergottite, with both being compositionally distinct from other shergottites. LEW88516 shows pervasive shock features and has been found to contain glass veins attributable to a shock origin. In an effort to determine whether the glass in LEW88516 contains any of the isotopically-heavy trapped nitrogen component observed in EETA 79001 glass, as well as the related high-Ar-40/Ar-36 and high-Xe-129/Xe-132 components, we undertook an analysis of an 11.9 mg glass sample (LEW88516,4) provided to us by H. Y. McSween, Jr. as part of a consortium study of this meteorite. Nitrogen and noble gases were extracted from LEW88516,4 in a series of combustion steps at increasing temperatures followed by a final pyrolysis. Initial steps at 550 C were intended to remove any surface-sited nitrogen-containing contaminants, while the 700 C step was expected to show the onset of release of a trapped argon component, based on our previous data for EETA 79001. It was hoped that the bulk of any trapped gas release would be concentrated in one of two steps at 1100 C and approximately 1400 C, maximizing our analytical sensitivity. Results of the analysis are shown. Except for He and Ne, data obtained for the 550 C steps will be omitted from further consideration on the assumption that they represent terrestrial contamination.

Becker, R. H.↗