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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 163 records · Page 9

Atmospheric pressure chemical ionization of fluorinated phenols in atmospheric pressure chemical ionization mass spectrometry, tandem mass spectrometry, and ion mobility spectrometry

Atmospheric pressure chemical ionization (APCI)-mass spectrometry (MS) for fluorinated phenols (C6H5-xFxOH Where x = 0-5) in nitrogen with Cl- as the reagent ion yielded product ions of M Cl- through ion associations or (M-H)- through proton abstractions. Proton abstraction was controllable by potentials on the orifice and first lens, suggesting that some proton abstraction occurs through collision induced dissociation (CID) in the interface region. This was proven using CID of adduct ions (M Cl-) with Q2 studies where adduct ions were dissociated to Cl- or proton abstracted to (M-H)-. The extent of proton abstraction depended upon ion energy and structure in order of calculated acidities: pentafluorophenol > tetrafluorophenol > trifluorophenol > difluorophenol. Little or no proton abstraction occurred for fluorophenol, phenol, or benzyl alcohol analogs. Ion mobility spectrometry was used to determine if proton abstraction reactions passed through an adduct intermediate with thermalized ions and mobility spectra for all chemicals were obtained from 25 to 200 degrees C. Proton abstraction from M Cl- was not observed at any temperature for phenol, monofluorophenol, or difluorophenol. Mobility spectra for trifluorophenol revealed the kinetic transformations to (M-H)- either from M Cl- or from M2 Cl- directly. Proton abstraction was the predominant reaction for tetra- and penta-fluorophenols. Consequently, the evidence suggests that proton abstraction occurs from an adduct ion where the reaction barrier is reduced with increasing acidity of the O-H bond in C6H5-xFxOH.

NASA Discipline Environmental Health↗

Global Daily Atmospheric State Profiles from the Atmospheric Infrared Sounder

The Atmospheric Infrared Sounder (AIRS) is a hyperspectral infrared instrument on the EOS Aqua Spacecraft, launched on May 4, 2002. AIRS has 2378 infrared channels ranging from 3.7 (micro)m to 15.4 (micro)m and a 13.5 km footprint. AIRS, in conjunction with the Advanced Microwave Sounding Unit (AMSU), produces temperature profiles with 1K/km accuracy on a global scale, as well as water vapor profiles, clouds, dust and trace gas amounts for CO2, CO, SO2, O3 and CH4.[1] AIRS data are used for weather forecasting and studies of global climate change. The AIRS is a 'facility' instrument developed by NASA as an experimental demonstration of advanced technology for remote sensing and the benefits of high resolution infrared spectra to science investigations.

sounder↗

Isotopic Ordering in Atmospheric O2 as a Tracer of Ozone Photochemistry and the Tropical Atmosphere

The distribution of isotopes within O2 molecules can be rapidly altered when they react with atomic oxygen. This mechanism is globally important: while other contributions to the global budget of O2 impart isotopic signatures, the O(3P) + O2 reaction resets all such signatures in the atmosphere on subdecadal timescales. Consequently, the isotopic distribution within O2 is determined by O3 photochemistry and the circulation patterns that control where that photochemistry occurs. The variability of isotopic ordering in O2 has not been established, however. We present new measurements of 18O18O in air (reported as delta36 values) from the surface to 33 km altitude. They confirm the basic features of the clumped-isotope budget of O2: Stratospheric air has higher delta36 values than tropospheric air (i.e., more 18O18O), reflecting colder temperatures and fast photochemical cycling of O3. Lower delta36 values in the troposphere arise from photochemistry at warmer temperatures balanced by the influx of high-delta36 air from the stratosphere. These observations agree with predictions derived from the GEOS-Chem chemical transport model, which provides additional insight. We find a link between tropical circulation patterns and regions where delta36 values are reset in the troposphere. The dynamics of these regions influences lapse rates, vertical and horizontal patterns of O2 reordering, and thus the isotopic distribution toward which O2 is driven in the troposphere. Temporal variations in delta36 values at the surface should therefore reflect changes in tropospheric temperatures, photochemistry, and circulation. Our results suggest that the tropospheric O3 burden has remained within a +/-10 percent range since 1978.

oxygen↗

A11I-2104 Evaluation of the NASA GEOS Chemistry-Climate Model Coupled Atmosphere-Ocean Configuration for its Suitability to Simulations of Atmospheric Composition in a Changing Climate

The NASA Goddard Earth Observing System Chemistry-Climate Model (GEOSCCM) is a full tropospheric-stratospheric chemistry enabled configuration of the NASA GEOS Earth system model. Among the objectives for research performed with GEOSCCM is to understand the impacts of climate change on recovery of the stratospheric ozone layer over the twenty-first century. Simulations performed in the past with GEOSCCM did not have an interactive ocean and were driven with projected sea surface temperature and sea ice boundary conditions provided by external models. This method limits the application of GEOSCCM for climate study because it doesn’t allow the feedback of composition changes to ocean. For a full representation of the chemistry-climate feedbacks in the Earth System, we have developed a configuration of GEOSCCM that makes use of the MOM5 ocean general circulation model coupled to the GEOS atmospheric general circulation model. This configuration leverages development of the GEOS Sub-seasonal-to-Seasonal (S2S) prediction system, and includes interactive, radiatively coupled aerosols and two-moment, aerosol-aware cloud microphysics. W e have assessed the baseline model climate sensitivity with an Monday, 11 December 2023 08:30 - 12:50 Poster Hall A-C - South (Exhibition Level, South, MC) experiment performed under pre-industrial (e.g., year 1850) greenhouse gas conditions and a second experiment under 4xCO2 conditions, similar to the typical CMIP protocol. The GEOS model is demonstrated to have a climate sensitivity of a 2.6 K increase in global mean surface temperature for an equivalent doubling of CO2 from pre-industrial conditions, in line with current CMIP models. This configuration of the GEOS model is suitable for application to multidecadal to century-long simulations of climate system response to changing greenhouse gas levels. We report here our evaluation of the climate diagnostics of this configuration and discuss future directions for work with this model configuration, including an ongoing twenty-first century projection experiment based on the Chemistry-Climate Model Intercomparison project protocol.

models↗

Direct numerical simulations of activation and deactivation in turbulent atmospheric clouds

Significant knowledge gaps remain in our understanding of turbulence–cloud–aerosol interactions in the Earth's atmosphere, and direct numerical simulation (DNS) has increasingly become an indispensable tool to fill such critical knowledge gaps. Here, this study is an extension of our previous DNS model [Gao et al., J. Geophys. Res.: Atmos., 123(4), 2194–2214 (2018)], with a focus on the activation of aerosol particles into cloud droplets and deactivation of cloud droplets into aerosol particles in a microscale cloud environment. The effects of turbulence intensity, particle curvature, and solute, as well as the initial distributions of the aerosol particles (monodisperse or polydisperse) are investigated. The governing equations for the flow of air, temperature, and water vapor mixing ratio are solved numerically in the Eulerian fashion, assuming homogeneous and isotropic turbulence. The dynamics of the aerosol and cloud particles are calculated with the Lagrangian particle tracking method. The results show that the deviations of the thermodynamic variables from their respective means are significantly reduced, the activation process appears to be delayed, and the deactivation process occurs more rapidly, as the turbulence intensity is increased. The inclusion of particle curvature and solute effects, as well as polydispersity, tends to retard the activation of aerosols into cloud droplets. It is also observed that fluctuations in supersaturation broaden the spread of particle radii, and the broadening is followed by a narrowing as turbulent homogenization reduces thermodynamic fluctuations over time.

54 ENVIRONMENTAL SCIENCES↗