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At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Quantum chemical study of methane oxidation species

The research funded by this project has focused on quantum chemical investigations of molecular species thought to be important in the chemistry of the earth's upper and lower atmospheres. The body of this report contains brief discussions of the results of the several phases of this investigation. In many instances these results have been presented at scientific meetings and/or published in refereed journals. Those bibliographic references are given. In addition to the study of specific chemical systems, there were several phases during the course of this investigation where much of the effort went into the development and modification of computer codes necessary to carry out these calculations on the wide range of computer equipment used during this study. This type of code maintenance and development work did not generally result in publications and presentations, but a brief review is given.

Jackels, Charles F.↗
NASA NTRS1994

The primary carbon and the formation of carbon species in terrestrial magmas

There is general agreement that primary carbon and redox state of mantle play an important role in the formation of carbon species in the terrestrial basalts as well as in the composition of gases, evacuated by these liquids to the upper layers of the Earth. It is expected, that interaction between native carbon and production of partial melting of the upper mantle : C(graphite,diamond) + O2(-) (melt) + O2 = CO3(2-) (melt) (1) leads to the formation of CO3(2-) (carbonate ion) in melt. Next mechanism, that may control the presence of free carbon and the formation of C-bearing components in magmas, is the carbon solubility in minerals under mantle conditions by participating in point defect equilibria.

Kadik, A.↗
NASA NTRS1995

Vegetation species composition and canopy architecture information expressed in leaf water absorption measured in the 1000 nm and 2200 spectral region by an imaging spectrometer

Plant species composition and plant architectural attributes are critical parameters required for the measuring, monitoring, and modeling of terrestrial ecosystems. Remote sensing is commonly cited as an important tool for deriving vegetation properties at an appropriate scale for ecosystem studies, ranging from local to regional and even synoptic scales. Classical approaches rely on vegetation indices such as the normalized difference vegetation index (NDVI) to estimate biophysical parameters such as leaf area index or intercepted photosynthetically active radiation (IPAR). Another approach is to apply a variety of classification schemes to map vegetation and thus extrapolate fine-scale information about specific sites to larger areas of similar composition. Imaging spectrometry provides additional information that is not obtainable through broad-band sensors and that may provide improved inputs both to direct biophysical estimates as well as classification schemes. Some of this capability has been demonstrated through improved discrimination of vegetation, estimates of canopy biochemistry, and liquid water estimates from vegetation. We investigate further the potential of leaf water absorption estimated from Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) data as a means for discriminating vegetation types and deriving canopy architectural information. We expand our analysis to incorporate liquid water estimates from two spectral regions, the 1000-nm region and the 2200-nm region. The study was conducted in the vicinity of Jasper Ridge, California, which is located on the San Francisco peninsula to the west of the Stanford University campus. AVIRIS data were acquired over Jasper Ridge, CA, on June 2, 1992, at 19:31 UTC. Spectra from three sites in this image were analyzed. These data are from an area of healthy grass, oak woodland, and redwood forest, respectively. For these analyses, the AVIRIS-measured upwelling radiance spectra for the entire Jasper Ridge scene were transformed to apparent surface reflectance using a radiative transfer code-based inversion algorithm.

Green, Robert O.↗
NASA NTRS1994

A new numerical model of the middle atmosphere. 2: Ozone and related species

A new two-dimensional model with detailed photochemistry is presented. The model includes descriptions of planetary wave and gravity wave propagation and dissipation to characterize the wave forcing and associated mixing in the stratosphere and mesosphere. Such a representation allows for explicit calculation of the regions of strong mixing in the middle atmosphere required for accurate simulation of trace gas transport. The new model also includes a detailed description of photochemical processes in the stratosphere and mesosphere. The downward transport of H2, H2O, and NO(y) from the mesosphere to the stratosphere is examined, and it is shown that mesospheric processes can influence the distributions of these chemical species in polar regions. For HNO3 we also find that small concentrations of liquid aerosols above 30 km could play a major role in determining the abundance in polar winter at high latitudes. The model is also used to examine the chemical budget of ozone in the midlatitude stratosphere and to set constraints on the effectiveness of bromine relative to chlorine for ozone loss and the role of the HO2 + BrO reaction. Recent laboratory data used in this modeling study suggest that this process greatly enhances the effectiveness of bromine for ozone destruction, making bromine-catalyzed chemistry second only to HO(x)-catalyzed ozone destruction in the contemporary stratosphere at midlatitudes below about 18 km. The calculated vertical distribution of ozone in the lower stratosphere agrees well with observations, as does the total column ozone during most seasons and latitudes, with the important exception of southern hemisphere winter and spring.

Garcia, Rolando R.↗
NASA NTRS1995

Improved Raman-Scattering Gas-Species Monitor

Improved Raman-scattering instrument provides real-time measurements of concentration of gas species of interest mixed with other gases. High efficiency achieved by multiple passes of laser beam, fast collection optics. Costs less, weighs less, and operates more easily. In original application, instrument used to determine whether flammable or explosive concentration of leaking hydrogen present in atmosphere that contains varying concentrations of helium, air, and possibly other gases in addition to hydrogen.

Adler-Golden, Steven↗
NASA NTRS1995

Species measurements in a hypersonic, hydrogen-air, combustion wake

A continuously sampling, time-of-flight mass spectrometer has been used to measure relative species concentrations in a two-dimensional, hydrogen-air combustion wake at mainstream Mach numbers exceeding 5. The experiments, which were conducted in a free piston shock tunnel, yielded distributions of hydrogen, oxygen, nitrogen, water and nitric oxide at stagnation enthalpies ranging from 5.6 MJ kg(exp -1) to 1.2 MJ kg(exp -1) and at a distance of approximately 100 times the thickness of the initial hydrogen jet. The amount of hydrogen that was mixed in stoichiometric proportions was approximately independent of the stagnation enthalpy, in spite of the fact that the proportion of hydrogen in the wake increased with stagnation enthalpy. Roughly 50 percent of the mixed hydrogen underwent combustion at the highest enthalpy. The proportion of hydrogen reacting to water could be approximately predicted using reaction rates based on mainstream temperatures.

Skinner, K. A.↗
NASA NTRS1997

Studies for the Loss of Atomic and Molecular Species from Io

The general objective of this project has been to advance our theoretical understanding of Io's atmosphere and how various atomic and molecular species are lost from this atmosphere and are distributed in the circumplanetary environment of Jupiter. The scientific objectives of the larger collaborative program between AER, Inc., and the University of Michigan have been to undertake theoretical modeling studies to simulate the distributions of the exospheric gases in Io's corona and extended clouds, to investigate the importance of the various physical processes that shape their relative abundances, and with these tools to analyze observations of O, S and Na obtained by four observers: M.A. McGrath of the Space Telescope Science Institute and G.E. Ballester of the University of Michigan who each have obtained Hubble Space Telescope observations of O and S near Io, F. Scherb who continues an effort to obtain 6300 A OI observations as part of the University of Wisconsin Fabry-Perot program, and N.M. Schneider of the University of Colorado who obtained an extensive set of spectral and spatial observations of the Na emission near Io in the D-lines.

Combi, Michael R.↗
NASA NTRS1998

New Molecular Species In Comet C/1995 (Hale-Bopp) Observed with the Caltech Submillimeter Observatory

We present millimeter-wave observations of HNCO, HC3N, SO, NH2CHO, H(13)CN, and H3O(+) in comet C/1995 O1 (Hale-Bopp) obtained in February-April, 1997 with the Caltech Submillimeter Observatory (CSO). HNCO, first detected at the CSO in comet C/1996 B2 (Hyakutake), is securely confirmed in comet Hale-Bopp via observations of three rotational transitions. The derived abundance with respect to H2O is (4-13) x 10(exp -4). HC3N, SO, and NH2CHO are detected for the first time in a comet. The fractional abundance of HC3N based on observations of three rotational lines is (1.9 +/- 0.2) x 10(exp -4). Four transitions of SO are detected and the derived fractional abundance, (2-8) x 10(exp -3), is higher than the upper limits derived from UV observations of previous comets. Observations of NH2CHO imply a fractional abundance of (1-8) x 10(exp -4). H3O(+) is detected for the first time from the ground. The H(13)CN (3-2) transition is also detected and the derived HCN/H(13)CN abundance ratio is 90 +/- 15, consistent with the terrestrial C-13/C-12 ratio. in addition, a number of other molecular species are detected, including HNC, OCS, HCO(+), CO(+), and CN (the last two are first detections in a comet at radio wavelengths).

Lis, D. C.↗
NASA NTRS1998

Studies for the Loss of Atomic and Molecular Species from Io

Continued effort is reported to improve the emission rates of various emission lines for atomic oxygen and sulfur. Atomic hydrogen has been included as a new species in the neutral cloud model. The pertinent lifetime processes for hydrogen in the plasma torus and the relevant excitation processes for H Lyman-alpha emission in Io's atmosphere are discussed.

Smyth, William H.↗
NASA NTRS1999

Measurements of Nitric Acid and Aerosol Species Aboard the NASA DC-8 Aircraft During the SASS Ozone and Nitrogen Oxide Experiment (SONEX)

The SASS Ozone and Nitrogen Oxides Experiment (SONEX) over the North Atlantic during October/November 1997 offered an excellent opportunity to examine the budget of total reactive nitrogen (NO(sub y)) in the upper troposphere (8 - 12 km altitude). The median measured NO(sub y) mixing ratio was 425 parts per trillion by volume (pptv). Two different methods were used to measure HNO3: (1) the mist chamber technique and, (2) chemical ionization mass spectrometry. Two merged data sets using these HNO3 measurements were used to calculate NO(sub y) by summing the reactive nitrogen species (a combination of measured plus modeled results) and comparing the resultant values to measured NO(sub y) (gold catalytic reduction method). Both comparisons showed good agreement in the two quantities (slope > 0.9 and r(exp 2) > 0.9). Thus, the total reactive nitrogen budget in the upper troposphere over the North Atlantic can be explained in a general manner as a simple mixture of NO(sub x). (NO + NO2), HNO3, and PAN. Median values of NO(sub x)/NO(sub y) were approximately equal to 0.25, HNO3/NO(sub y) were approximately equal to 0.35 and Peroxyacetyl Nitrate (PAN)/NO(sub y) were approximately equal to 0. 17. Particulate NO3 and alkyl nitrates together composed <10 % of NO(sub y), while model estimated HNO4 averaged 12%.

Talbot, Robert W.↗
NASA NTRS1999

Measurements of Nitric Acid and Aerosol Species Aboard the NASA DC-8 Aircraft During the SASS OZone and Nitrogen Oxide Experiment (SONEX)

The SASS Ozone and Nitrogen Oxides Experiment (SONEX) over the north Atlantic during October/November 1997 offered an excellent opportunity to examine the budget of total reactive nitrogen (NO(y)) in the upper troposphere (8 - 12 km altitude). The median measured NO(y) mixing ratio was 425 parts per trillion by volume (pptv). Two different methods were used to measure HNO3: (1) the mist chamber technique and, (2) chemical ionization mass spectrometry. Two merged data sets using these HNO3 measurements were used to calculate NO(y) by summing the reactive nitrogen species (a combination of measured plus modeled results) and comparing the resultant values to measured NO(y) (gold catalytic reduction method). Both comparisons showed good agreement in the two quantities (slope greater than 0.9 and r(sup 2) greater than 0.9). Thus, the total reactive nitrogen budget in the upper troposphere over the North Atlantic can be explained in a general manner as a simple mixture of NO(x). (NO + NO2), HNO3, and PAN. Median values of NO(x)/NO(y) were approx. = 0.25, HNO3/NO(y) approx. = 0.35 and PAN/NO(y) approx. = 0.17. Particulate NO3 and alkyl nitrates together composed less than 10% of NO(y), while model estimated HNO4 averaged 12%.

Talbot, Robert W.↗
NASA NTRS1999

Studies for the Loss of Atomic and Molecular Species from Io

A summary discussion of research undertaken in this project is presented and is related to six published papers attached in the appendix. The discussion is divided into six sections describing a variety of studies for the loss of atomic and molecular species from Io. They include studies for: (1) atomic sodium, (2) SO2, (3) O and S, (4) spectacular high-spatial resolution ultraviolet image observations of O, S, and possibly H in Io's atmosphere and/or corona acquired by the Space Telescope Imaging Spectrometer (STIS) of the Hubble Space Telescope (HST), (5) spectacular high-spatial resolution visible Io eclipse image observations acquired by the Solid State Imager (SSI) of Galileo spacecraft, (6) ground-based observations acquired by the Solid State Imager (SSI) of Galileo spacecraft, and (7) ground-based observations of Io's neutral cloud in [OI] 6300 angstrom emission. New source rates at Io's exobase for SO2, O, and H are given and a variety of interesting implications for Io's atmosphere and for the Io plasma torus are discussed. Appendices that are comprised of articles published during the contract are also presented.

Smyth, William H.↗
NASA NTRS1987

Infrared Measurements of Several Nitrogen Species Above the South Pole in December 1980 and November - December 1986

In December 1980 and November-December 1986, the University of Denver atmospheric spectroscopy group recorded numerous high-resolution infrared solar absorption spectra from the Amundsen-Scott south pole station. These spectra were obtained by Frank J. Murcray and Frank H. Murcray with a Michelson-type Fourier transform spectrometer and show absorption features of a number of minor and trace atmospheric gases with a minimum of atmospheric water vapor absorption. Quantifications of the total column amounts of O3, CH4, N2O, and H2O from the 1980 observations and RCI from the 1986 observations have been reported along with an atlas of the 750-960/ cm spectral region. In the present study, we report measurements of HNO3 total column amounts deduced from both data sets and NO, and NO2 total column amounts from the 1986 data set. Nitric acid may be important in the chemistry which creates the spring Antarctic ozone minimum, since it may condense in the cold winter polar stratosphere and become the dominant component of polar stratospheric clouds. The present measurements were obtained shortly after the austral spring ozone minimum and define for the first time the ambient levels of these nitrogen species immediately following the breakup of the polar vortex.

Murcray, F. J.↗
NASA NTRS2000

Modeling Stratospheric Constituents: Reactive Species That Regulate Ozone

Photochemical loss of stratospheric ozone occurs primarily by catalytic cycles whose rates are limited by the concentration of OH, HO2, NO2, ClO, and/or BrO as well as the concentration of either atomic oxygen or of ozone itself. Once the concentrations of these gases are established, the photochemical loss rate of O3 depends on the rate coefficient of only a handful of key reactions. We have developed a method for testing our understanding of stratospheric ozone photochemistry by comparing measured and modeled concentrations of reactive hydrogen, nitrogen, chlorine and bromine radicals using a photochemical steady state model constrained by observed concentrations of long-lived precursors (e.g., NO(y), Cl(y), Br(y), O3, H2O, CH4) and environmental parameters such as ozone column, reflectivity, and aerosol surface area. We will show based on analyses of observations obtained by aircraft, balloon, and satellite platforms during the POLARIS campaign that our overall understanding of the processes that regulate these radical species is very good. The most notable current discrepancies are the tendency to underestimate observed NO2 by 15 to 30% for air masses that experience near continuous solar illumination over a 24 hour period and the tendency to underestimate observed OH and H02 by about 10 to 20% during midday and by much larger amounts at high solar zenith angle (SZA > 85). Possible resolutions to these discrepancies will be discussed. This study was carried out in close collaboration with many members of the POLARIS science team.

Salawitch, Ross J.↗
NASA NTRS2000

BOREAS TE-9 PAR and Leaf Nitrogen Data for NSA Species

The Boreal Ecosystem-Atmospheric Study (BOREAS) TE-9 (Terrestrial Ecology) team collected several data sets related to chemical and photosynthetic properties of leaves in boreal forest tree species. This data set describes the relationship between photosynthetically active radiation (PAR) levels and foliage nitrogen in samples from six sites in the BOREAS Northern Study Area (NSA) collected during the three 1994 intensive field campaigns (IFCs). This information is useful for modeling the vertical distribution of carbon fixation for these different forest types in the boreal forest. The data were collected to quantify the relationship between PAR and leaf nitrogen of black spruce, jack pine, and aspen. The data are available in tabular ASCII files. The data files are available on a CD-ROM (see document number 20010000884), or from the Oak Ridge National Laboratory (ORNL) Distributed Active Archive Center (DAAC).

Hall, Forrest G.↗
NASA NTRS1995

Ab Initio Studies of Chlorine Oxide and Nitrogen Oxide Species of Interest in Stratospheric Chemistry

The ability of modern state-of-the art ab initio quantum chemical techniques to characterize reliably the gas-phase molecular structure, vibrational spectrum, electronic spectrum, and thermal stability of chlorine oxide and nitrogen oxide species will be demonstrated by presentation of some example studies. In particular the geometrical structures, vibrational spectra, and heats of formation Of ClNO2, CisClONO, and trans-ClONO are shown to be in excellent agreement with the available experimental data, and where the experimental data are either not known or are inconclusive, the ab initio results are shown to fill in the gaps and to resolve the experimental controversy. In addition, ab initio studies in which the electronic spectra and the characterization of excited electronic states of ClONO2, HONO2, ClOOC17 ClOOH, and HOOH will also be presented. Again where available, the ab initio results are compared to experimental observations, and are used to aid in the interpretation of the experimental studies.

Lee, Timothy J.↗
NASA NTRS2002

Intra-Engine Trace Species Chemistry

Prompted by the needs of downstream plume-wake models, the Massachusetts Institute of Technology (MIT) and Aerodyne Research Incorporated (ART) initiated a collaborative effort, with funding from the NASA AEAP, to develop tools that would assist in understanding the fundamental drivers of chemical change within the intra-engine exhaust flow path. Efforts have been focused on the development of a modeling methodology that can adequately investigate the complex intra-engine environment. Over the history of this project, our research has increasingly pointed to the intra-engine environment as a possible site for important trace chemical activity. Modeling studies we initiated for the turbine and exhaust nozzle have contributed several important capabilities to the atmospheric effects of aviation assessment. These include a more complete understanding of aerosol precursor production, improved initial conditions for plume-wake modeling studies, and a more comprehensive analysis of ground-based test cell and in-flight exhaust measurement data. In addition, establishing a physical understanding of important flow and chemical processes through computational investigations may eventually assist in the design of engines to reduce undesirable species.

Waitz, Ian A.↗