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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Satellite observation and mapping of wintertime ozone variability in the lower stratosphere

Comparison is made between 30 mbar ozone fields that are generated by a transport chemistry model utilizing the winds from the Goddard Space Flight Center stratospheric data assimilation system (STRATAN), observations from the LIMS instrument on Nimbus-7, and the ozone fields that result from 'flying a mathematical simulation of LIMS observations through the transport chemistry model ozone fields. The modeled ozone fields were found to resemble the LIMS observations, but the model fields show much more temporal and spatial structure than do the LIMS observations. The 'satellite mapped' model results resemble the LIMS observations much more closely. These results are very consistent with the earlier discussions of satellite space-time sampling by Salby.

Geller, Marvin A.↗
NASA NTRS1993

Satellite observation and mapping of wintertime ozone variability in the lower stratosphere

Comparison is made between 30 mbar ozone fields that are generated by a transport chemistry model utilizing the winds from the Goddard Space Flight Center stratospheric data assimilation system (STRATAN), observations from the LIMS instrument on Nimbus-7, and the ozone fields that result from 'flying' a mathematical simulation of LIMS observations through the transport chemistry model ozone fields. The modeled ozone fields were found to resemble the LIMS observations, but the model fields show much more temporal and spatial structure than do the LIMS observations. The 'satellite mapped' model results resemble the LIMS observations much more closely. These results are very consistent with the earlier discussions of satellite space-time sampling by Salby.

Geller, M. A.↗
NASA NTRS1987

Evolutionary models of interstellar chemistry

The goal of evolutionary models of interstellar chemistry is to understand how interstellar clouds came to be the way they are, how they will change with time, and to place them in an evolutionary sequence with other celestial objects such as stars. An improved Mark II version of an earlier model of chemistry in dynamically evolving clouds is presented. The Mark II model suggests that the conventional elemental C/O ratio less than one can explain the observed abundances of CI and the nondetection of O2 in dense clouds. Coupled chemical-dynamical models seem to have the potential to generate many observable discriminators of the evolutionary tracks. This is exciting, because, in general, purely dynamical models do not yield enough verifiable discriminators of the predicted tracks.

Prasad, Sheo S.↗
NASA NTRS2006

Use of Laboratory Data to Model Interstellar Chemistry

Our laboratory research program is about the formation of molecules on dust grains analogues in conditions mimicking interstellar medium environments. Using surface science techniques, in the last ten years we have investigated the formation of molecular hydrogen and other molecules on different types of dust grain analogues. We analyzed the results to extract quantitative information on the processes of molecule formation on and ejection from dust grain analogues. The usefulness of these data lies in the fact that these results have been employed by theoreticians in models of the chemical evolution of ISM environments.

Vidali, Gianfranco↗
NASA NTRS2013

Extension of a Kinetic Approach to Chemical Reactions to Electronic Energy Levels and Reactions Involving Charged Species With Application to DSMC Simulations

The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties are extended in the current work to include electronic energy level transitions and reactions involving charged particles. These extensions are shown to agree favorably with reported transition and reaction rates from the literature for nearequilibrium conditions. Also, the extensions are applied to the second flight of the Project FIRE flight experiment at 1634 seconds with a Knudsen number of 0.001 at an altitude of 76.4 km. In order to accomplish this, NASA's direct simulation Monte Carlo code DAC was rewritten to include the ability to simulate charge-neutral ionized flows, take advantage of the recently introduced chemistry model, and to include the extensions presented in this work. The 1634 second data point was chosen for comparisons to be made in order to include a CFD solution. The Knudsen number at this point in time is such that the DSMC simulations are still tractable and the CFD computations are at the edge of what is considered valid because, although near-transitional, the flow is still considered to be continuum. It is shown that the inclusion of electronic energy levels in the DSMC simulation is necessary for flows of this nature and is required for comparison to the CFD solution. The flow field solutions are also post-processed by the nonequilibrium radiation code HARA to compute the radiative portion of the heating and is then compared to the total heating measured in flight.

Liechty, Derek S.↗
NASA NTRS2014

Extension of a Kinetic Approach to Chemical Reactions to Electronic Energy Levels and Reactions Involving Charged Species with Application to DSMC Simulations

The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties are extended in the current work to include electronic energy level transitions and reactions involving charged particles. These extensions are shown to agree favorably with reported transition and reaction rates from the literature for near-equilibrium conditions. Also, the extensions are applied to the second flight of the Project FIRE flight experiment at 1634 seconds with a Knudsen number of 0.001 at an altitude of 76.4 km. In order to accomplish this, NASA's direct simulation Monte Carlo code DAC was rewritten to include the ability to simulate charge-neutral ionized flows, take advantage of the recently introduced chemistry model, and to include the extensions presented in this work. The 1634 second data point was chosen for comparisons to be made in order to include a CFD solution. The Knudsen number at this point in time is such that the DSMC simulations are still tractable and the CFD computations are at the edge of what is considered valid because, although near-transitional, the flow is still considered to be continuum. It is shown that the inclusion of electronic energy levels in the DSMC simulation is necessary for flows of this nature and is required for comparison to the CFD solution. The flow field solutions are also post-processed by the nonequilibrium radiation code HARA to compute the radiative portion.

Liechty, Derek S.↗
NASA NTRS2011

On the Formation of Interstellar Water Ice: Constraints from a Search for Hydrogen Peroxide Ice in Molecular Clouds

Recent surface chemistry experiments have shown that the hydrogenation of molecular oxygen on interstellar dust grains is a plausible formation mechanism, via hydrogen peroxide (H2O2), for the production of water (H2O) ice mantles in the dense interstellar medium. Theoretical chemistry models also predict the formation of a significant abundance of H2O2 ice in grain mantles by this route. At their upper limits, the predicted and experimental abundances are sufficiently high that H2O2 should be detectable in molecular cloud ice spectra. To investigate this further, laboratory spectra have been obtained for H2O2/H2O ice films between 2.5 and 200 micron, from 10 to 180 K, containing 3%, 30%, and 97% H2O2 ice. Integrated absorbances for all the absorption features in low-temperature H2O2 ice have been derived from these spectra. For identifying H2O2 ice, the key results are the presence of unique features near 3.5, 7.0, and 11.3 micron. Comparing the laboratory spectra with the spectra of a group of 24 protostars and field stars, all of which have strong H2O ice absorption bands, no absorption features are found that can definitely be identified with H2O2 ice. In the absence of definite H2O2 features, the H2O2 abundance is constrained by its possible contribution to the weak absorption feature near 3.47 micron found on the long-wavelength wing of the 3 micron H2O ice band. This gives an average upper limit for H2O2, as a percentage of H2O, of 9% +/- 4%. This is a strong constraint on parameters for surface chemistry experiments and dense cloud chemistry models.

Smith, R. G.↗
NASA NTRS1986

A survey of bimolecular ion-molecule reactions for use in modeling the chemistry of planetary atmospheres, cometary comae, and interstellar clouds

All bimolecular positive ion-molecule reactions reported from 1965 to 1985 for temperatures below 1000 K are included in the present survey of those ion-molecule reactions pertinent to the chemistries of planetary atmospheres, cometary comae, and interstellar clouds. This survey is intended as an update of the first, by Huntress (1977). The tabular presentation is organized according to reactant ion, with cross-references for both the ionic and the neutral reactants as well as the ionic and neutral products.

Anicich, V. G.↗
NASA NTRS1989

Aeroassist flight experiment aerodynamics and aerothermodynamics

The problem is to determine the transitional flow aerodynamics and aerothermodynamics, including the base flow characteristics, of the Aeroassist Flight Experiment (AFE). The justification for the computational fluid dynamic (CFD) Application stems from MSFC's system integration responsibility for the AFE. To insure that the AFE objectives are met, MSFC must understand the limitations and uncertainties of the design data. Perhaps the only method capable of handling the complex physics of the rarefied high energy AFE trajectory is Bird's Direct Simulation Monte Carlo (DSMC) technique. The 3-D code used in this analysis is applicable only to the AFE geometry. It uses the Variable Hard Sphere (VHS) collision model and five specie chemistry model available from Langley Research Center. The code is benchmarked against the AFE flight data and used as an Aeroassisted Space Transfer Vehicle (ASTV) design tool. The code is being used to understand the AFE flow field and verify or modify existing design data. Continued application to lower altitudes is testing the capability of the Numerical Aerodynamic Simulation Facility (NASF) to handle 3-D DSMC and its practicality as an ASTV/AFE design tool.

Brewer, Edwin B.↗
NASA NTRS1993

A survey of bimolecular ion-molecule reactions for use in modeling the chemistry of planetary atmospheres, cometary comae, and interstellar clouds - 1993 supplement

This is a supplement to a previous paper (Anicich & Huntress 1986). It is a survey of bimolecular positive ion-molecule reactions with potential importance to the chemistry of planetary atmospheres, cometary comae, and interstellar clouds. This supplement covers the literature from 1986 through 1991, with some additional citations missed in the original survey. Over 200 new citations are included. A table of reactions is listed by reactant ion, and cross-references are provided for both ionic and neutral reactants and also for both ionic and neutral products.

Anicich, V. G.↗
NASA NTRS2001

Chemistry-Climate Models of the Stratosphere

Over the last decade, improved computer power has allowed three-dimensional models of the stratosphere to be developed that can be used to simulate polar ozone levels over long periods. This paper compares the meteorology between these models, and discusses the future of polar ozone levels over the next 50 years.

Austin, J.↗
NASA NTRS2003

Iron catalyst chemistry in modeling a high-pressure carbon monoxide nanotube reactor

The high-pressure carbon monoxide (HiPco) technique for producing single-wall carbon nanotubes (SWNTs) is analyzed with the use of a chemical reaction model coupled with flow properties calculated along streamlines, calculated by the FLUENT code for pure carbon monoxide. Cold iron pentacarbonyl, diluted in CO at about 30 atmospheres, is injected into a conical mixing zone, where hot CO is also introduced via three jets at 30 degrees with respect to the axis. Hot CO decomposes the Fe(CO)5 to release atomic Fe. Then iron nucleates and forms clusters that catalyze the formation of SWNTs by a disproportionation reaction (Boudouard) of CO on Fe-containing clusters. Alternative nucleation rates are estimated from the theory of hard sphere collision dynamics with an activation energy barrier. The rate coefficient for carbon nanotube growth is estimated from activation energies in the literature. The calculated growth was found be about an order of magnitude greater than measured, regardless of the nucleation rate. A study of cluster formation in an incubation zone prior to injection into the reactor shows that direct dimer formation from Fe atoms is not as important as formation via an exchange reaction of Fe with CO in FeCO.

Evaluation Studies↗
NASA NTRS2008

Assessment and Consequences of the Delayed Breakup of the Antarctic Polar Vortex in Two Versions of the GEOS Chemistry-Climate Model

In mid-winter, winds circle the globe at speeds greater than 200 km/hr (approximately 130mph) in the middle atmosphere. This strong jet bounds the region known as the polar vortex. The presence of the Antarctic polar vortex is a key ingredient in the formation of the 'ozone hole', because the air inside the vortex is cold and isolated from lower latitudes, creating ideal conditions for large-scale chemical ozone depletion. Many atmospheric models are not able to reproduce observed winds in the middle atmosphere. Specifically, the polar vortices tend to break down too late and peak wind speeds are higher than observed. Hurwitz et al. find that the delayed break-up of the Antarctic polar vortex is due to weaker-than-observed wave driving from the lower atmosphere during the October-November period. The delayed break-up of the Antarctic polar vortex changes the temperature structure of the middle atmosphere, which biases the amount of chemical ozone depletion that can occur in late winter and spring. Also, the extended lifetime of the polar vortex strengthens the 'overturning' circulation cell in the middle atmosphere, changing the amount of ozone, methane and other chemical species that is transported from low to high latitudes. As greenhouse gas concentrations continue to rise, the atmospheric temperature structure and resulting wind structure are expected to change. Clearly, if models cannot duplicate the observed late 20th century high-latitude winds, their ability to simulate the polar vortices in future must be poor. Understanding model weaknesses and improving the modeled polar vortices will be necessary for accurate predictions of ozone recovery in the coming century.

Hurwitz, M.M.↗
NASA NTRS2011

Sensitivity of the Mid-Winter Arctic Stratosphere to QBO Width in a Simplified Chemistry-Climate Model

In the stratosphere, equatorial winds continually alternate between easterly (westward) and westerly (eastward). This phenomenon is called the quasi-biennial oscillation (QBO). The average QBO cycle (Le. easterly to westerly to easterly) lasts approximately 27 months. Large-scale 'planetary' waves can only travel upward through the atmosphere when equatorial winds are westerly, and below a critical threshold. Thus, the amount of wave energy that reaches the middle atmosphere depends on the wind direction. When equatorial winds are easterly, wave energy is concentrated at higher latitudes, weakening the high-latitude eastward wind feature known as the 'polar jet' during the Northern Hemisphere winter season. Holton and Tan (1980) used atmospheric observations to show the dependence of the strength of the northern polar jet on the phase (easterly vs. westerly) of the QBO. This modeling study finds that the width of the quasi-biennial oscillation (QBO) varies from one cycle to the next, and that variation in QBO width may exert equal influence on the Arctic stratosphere as does the QBO wind direction. High latitude winds are weaker and ozone values are higher in a wide-QBO model simulation, as compared with a realistic simulation. This result implies that a relatively wider QBO acts like a preferential shift toward the easterly phase of the QBO.

Hurwitz, M. M.↗