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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

Cloud-Resolved Simulations of Lightning NOx in an Observed Hector Thunderstorm

Cloud chemistry simulations are being performed for a "Hector" storm observed on 16 November 2005 during the SCOUT-03lACTIVE campaigns based in Darwin, Australia. The primary objective of these simulations is to estimate the average production of NO per lightning flash during the storm. The 3-D WRF-AqChem model is being used for these calculations. This modeling package contains the WRF nonhydrostatic cloud-resolving model, online gas- and aqueous-phase chemistry, and a lightning algorithm (Barth et al., 2007). Early morning soundings of temperature, water vapor and winds are used to initialize the model. Surface heating of the Tiwi Islands is simulated in the model to induce convection. Observations from the Egrett, Falcon, Geophysica, and Dornier aircraft in air undisturbed by the storm are used to construct composite initial condition chemical profiles. Convective transport in the model is tested using tracer species such as CO and O3. Lightning flashes observed by the LINET network are input to the model and a lightning placement scheme is used to inject the resulting NO into the simulated cloud. Various scenarios of NO production per flash are used for cloud-to-ground and intracloud flashes in a series of simulations for the storm. Resulting NO, mixing ratios from each simulation are compared with upper tropospheric anvil observations (from the Geophysica and Egrett aircraft) to determine the best fit with the mean NOx at anvil altitudes, the profile shape, and the frequency distribution of NOx values. We will compare the results for lightning NO production from this tropical thunderstorm with similar analyses conducted for several midlatitude and subtropical convective events.

Pickering, Kenneth↗
NASA NTRS2012

Design and Analysis of an Isokinetic Sampling Probe for Submicron Particle Measurements at High Altitude

An isokinetic dilution probe has been designed with the aid of computational fluid dynamics to sample sub-micron particles emitted from aviation combustion sources. The intended operational range includes standard day atmospheric conditions up to 40,000-ft. With dry nitrogen as the diluent, the probe is intended to minimize losses from particle microphysics and transport while rapidly quenching chemical kinetics. Initial results indicate that the Mach number ratio of the aerosol sample and dilution streams in the mixing region is an important factor for successful operation. Flow rate through the probe tip was found to be highly sensitive to the static pressure at the probe exit. Particle losses through the system were estimated to be on the order of 50% with minimal change in the overall particle size distribution apparent. Following design refinement, experimental testing and validation will be conducted in the Particle Aerosol Laboratory, a research facility located at the NASA Glenn Research Center to study the evolution of aviation emissions at lower stratospheric conditions. Particle size distributions and number densities from various combustion sources will be used to better understand particle-phase microphysics, plume chemistry, evolution to cirrus, and environmental impacts of aviation.

Heath, Christopher M.↗
NASA NTRS2015

GMI Capabilities

We describe the capabilities of the Global Modeling Initiative (GMI) chemical transport model (CTM) with a special focus on capabilities related to the Atmospheric Tomography Mission (ATom). Several science results based on GMI hindcast simulations and preliminary results from the ATom simulations are highlighted. We also discuss the relationship between GMI and GEOS-5.

modeling↗
NASA NTRS2016

Chemistry Simulations Using MERRA-2 Reanalysis with the GMI CTM and Replay in Support of the Atmospheric Composition Community

Simulations using reanalyzed meteorological conditions have been long used to understand causes of atmospheric composition change over the recent past. Using the new Modern-Era Retrospective analysis for Research and Applications, version 2 (MERRA-2) meteorology, chemistry simulations are being conducted to create products covering 1980-2016 for the atmospheric composition community. These simulations use the Global Modeling Initiative (GMI) chemical mechanism in two different models: the GMI Chemical Transport Model (CTM) and the GEOS-5 model developed Replay mode. Replay mode means an integration of the GEOS-5 general circulation model that is incrementally adjusted each time step toward the MERRA-2 analysis. The GMI CTM is a 1 x 1.25 simulation and the MERRA-2 GMI Replay simulation uses the native MERRA-2 approximately horizontal resolution on the cubed sphere. The Replay simulations is driven by the online use of key MERRA-2 meteorological variables (i.e. U, V, T, and surface pressure) with all other variables calculated in response to those variables. A specialized set of transport diagnostics is included in both runs to better understand trace gas transport and changes over the recent past.

Chemistry-Climate Model↗
NASA NTRS2017

Chemistry Simulations using the MERRA-2 Reanalysis with the GMI CTM and Replay in Support of the Atmospheric Composition Community

Simulations using reanalysis meteorological fields have long been used to understand the causes of atmospheric composition change in the recent past. Using the new MERRA-2 reanalysis, we are conducting chemistry simulations to create products covering 1980-2016 for the atmospheric composition community. These simulations use the Global Modeling Initiative (GMI) chemical mechanism in two different models: the GMI Chemical Transport Model (CTM) and the GEOS-5 model in Replay mode. Replay mode means an integration of the GEOS-5 general circulation model that is incrementally adjusted each time step toward the MERRA-2 reanalysis. The GMI CTM is a 1 deg x 1.25 deg simulation and the MERRA-2 GMI Replay simulation uses the native MERRA-2 grid of approximately 1/2 deg horizontal resolution on the cubed sphere. A specialized set of transport diagnostics is included in both runs to better understand trace gas transport and its variability in the recent past.

MERRA-2↗
NASA NTRS2019

Disentangling the Drivers of the Summertime Ozone‐Temperature Relationship Over the United States

Summertime surface-level ozone (O3 ) is known to vary with temperature, but the relative roles of different processes responsible for causing the O3 -temperature relationship are not well quantified. In this study we use simulations of NASA's Global Modeling Initiative (GMI) chemical transport model (CTM) to isolate and assess the relative impact of atmospheric transport, chemistry, and emissions on O3 variability, events, and its correlation with temperature. Using observations from CASTNet in the contiguous United States, we show that the GMI CTM reproduces the spatiotemporal variability of O3 and the O3 -temperature relationship during the summer. We primarily focus on the total change in O3 due to a change in temperature (d O3 /d T). In regions with strong positive correlations between temperature and O3 such as the Northeast, Great Lakes, and Great Plains, temperature's association with transport primarily drives d O3 /d T with smaller contributions from temperature-dependent chemistry and anthropogenic emissions. There are regions, however, with near-zero correlation between temperature and O3 , and our findings suggest that transport is still an important driver of O3 variability in these regions, albeit not correlated with temperature. Transport is not directly dependent on temperature but rather is linked through an indirect association, and it is therefore important to understand the exact mechanisms that link transport to O3 and how these mechanisms will change in a warming world.

ozone, temperature, CTM↗
NASA NTRS2021

Depletion & Recovery of the O3 Layer Observed from Space Over the Past 50 Years of the Anthropocene

This year we are celebrating the 50th anniversary of the launch of the backscatter UV (BUV) instrument on NASA’s Nimbus-4 satellite. Since then 10 more advanced instruments, but based on the same basic measurement principle, have been launched on polar orbiting NASA and NOAA satellites. The datasets produced by these instruments are unique for they have captured the period before the onset of the decline of the ozone layer due to manmade chemicals, the declining period, and the present slow recovery period. This period includes the rapid development of the iconic anthropocene era feature called the “Ozone Hole” . However, stitching together data from 11 separate satellite instruments to create a homogeneous record has presented many challenges. The first two NASA instruments suffered considerable degradation after launch that required the development of novel techniques to characterize their calibration. The next 7 instruments were launched on NOAA’s polar orbiting weather satellites that were not designed for long-term monitoring of climate variables. In particular, they didn’t have the station keeping capabilities needed to maintain a stable equator crossing time. Drifting orbits not only stress the retrieval algorithm and the calibration system of UV instruments but also make the interpretation of data difficult because the upper stratospheric ozone has systematic and complex diurnal variabilities that are comparable to the anthropogenic signal one wants to extract. We will highlight our recent efforts in untangling this knot. Finally, we will discuss the results from the OMPS limb scattering instrument, a recent addition to this constellation, that has been operating on the Suomi NPP satellite since October 2011. It is helping us capture how the ozone layer in the lower stratosphere and troposphere is evolving in response to the climate change and rising chemical pollutants in some parts of the world, while the upper stratosphere slowly recovers due to phaseout of the chemicals that initiated the decline of the ozone layer in the late 70s.

P Bhartia↗
NASA NTRSDate not supplied

Decoupling the Effects of Anthropogenic Emission Reductions from the Meteorology and Natural Emissions in TROPOMI NO 2 Retrievals During the 2020 COVID-19 Lockdowns

Satellite measurements during the COVID-19 lockdowns that began in 2020 revealed unprecedented reductions in NO 2 tropospheric vertical column densities (VCD). These reductions have largely been attributed to reduced anthropogenic emissions associated with abrupt decreases in road traffic and other power consuming business activities. Although decreased emissions tended to be the main contributor to the observed NO 2 VCD reduction, meteorological variability also played a role. Whereas the observed VCD changes were predominantly negative in places where public health policies were strictly enforced, meteorology had both positive and negative effects over short time intervals. Here, we present results from a global study of the NO 2 reductions aimed at disentangling the meteorological and natural emission variability from the anthropogenic emissions over the world’s most populated megacities. For this study, NASA’s TROPOMI NO 2 algorithm was used in conjunction with the Global Modeling Initiative (GMI) chemical transport model to separate the contributions due emissions and meteorology. A priori NO 2 profiles were generated from two GMI simulations performed for 2020 at a resolution of 0.25° longitude x 0.25° latitude. The first simulation used updated, COVID-impacted NOX emissions based on Forster et al. (2020), while the second simulation used the 2019 emissions with the 2020 meteorology, referred to here as 2020BAU. The 2020BAU data set allowed for the decoupling of the emission component from the meteorology. When compared to the same period in 2019, NO 2 column amounts during the lockdowns were reduced in 35 out of 36 cities. While reduced emissions contributed most to the observed total change in NO 2 during the lockdowns, the effects of meteorology were significant, ranging between 40% (Chennai) and 15% (Beijing). In China, an increase in NO 2 levels due to meteorology were observed in five out of the seven cities considered in the study. Use of different a-priori NO 2 profiles from the two simulations in our TROPOMI retrievals allowed for a determination of retrieval errors that ranged from -1.7% to -11.0%. We used the quality assurance flag > 0.75 to select the highest quality scenes in the study period. Using the GMI, we estimated the sampling biases to be in the range -11% to 10% of the total change for the cities in our study.

Brad Fisher↗
NASA NTRS1987

Chemical effects in ion mixing of a ternary system (metal-SiO2)

The mixing of Ti, Cr, and Ni thin films with SiO2 by low-temperature (- 196-25 C) irradiation with 290 keV Xe has been investigated. Comparison of the morphology of the intermixed region and the dose dependences of net metal transport into SiO2 reveals that long range motion and phase formation probably occur as separate and sequential processes. Kinetic limitations suppress chemical effects in these systems during the initial transport process. Chemical interactions influence the subsequent phase formation.

Banwell, T.↗
NASA NTRS1987

Analysis of non-premixed turbulent reacting flows

Studies of chemical reactions occurring in turbulent flows are important in the understanding of combustion and other applications. Current numerical methods are limited in their applications due to the numerical resolution required to completely capture all length scales, but, despite the fact that realistic combustion cannot be solved completely, numerical simulations can be used to give insight into the interaction between the processes of turbulence and chemical reaction. The objective was to investigate the effects of turbulent motion on the effects of chemical reaction to gain some insight on the interaction of turbulence, molecular diffusion, and chemical reaction to support modeling efforts. A direct turbulence simulation spectral code was modified to include the effects of chemical reaction and applied to an initial value problem of chemical reaction between non-premixed species. The influence of hydrodynamics on the instantaneous structure of the reaction was investigated. The local scalar dissipation rates and the local reaction rates were examined to determine the influence of vorticity or rate of strain on the reaction and the structure of the scalar field.

Leonard, Andy D.↗
NASA NTRS2020

Missing OH Reactivity in the Global Marine Boundary Layer

The hydroxyl radical (OH) reacts with thousands of chemical species in the atmosphere, initiating their removal and the chemical reaction sequences that produce ozone, secondary aerosols, and gas-phase acids. OH reactivity, which is the inverse of OH lifetime,influences the OH abundance and the ability of OH to cleanse the atmosphere. The NASA Atmospheric Tomography (ATom) campaign used instruments on the NASA DC-8 aircraft to measure OH reactivity and more than 100 trace chemical species. ATom presented a unique opportunity to test the completeness of the OH reactivity calculated from the chemical species measurements by comparing it to the measured OH reactivity over two oceans across four seasons. Although, throughout much of the free troposphere, the calculated OH reactivity was below the limit-of-detection for the ATom instrument used to measure OH reactivity, the instrument was able to measure the OH reactivity in and just above the marine boundary layer. The mean measured value of OH reactivity in the marine boundary layer across all latitudes and all ATom deployments was 1.9 s-1, which is 0.5 s-1larger than the mean calculated OH reactivity. The missing OH reactivity, the difference between the measured and calculated OH reactivity, varied between 0 s-1to 3.5 s-1, with the highest values over the Northern Hemisphere Pacific Ocean. Correlations of missing OH reactivity with formaldehyde, dimethyl sulfide, butanal, and sea surface temperature suggest the presence of unmeasured or unknown volatile organic compounds or oxygenated volatile organic compounds associated with ocean emissions.

NASA Atmospheric Tomography (ATom)↗
NASA NTRS1984

Chemical mechanisms and reaction rates for the initiation of hot corrosion of IN-738

Sodium-sulfate-induced hot corrosion of preoxidized IN-738 was studied at 975 C with special emphasis placed on the processes occurring during the long induction period. Thermogravimetric tests were run for predetermined periods of time, and then one set of specimens was washed with water. Chemical analysis of the wash solutions yielded information about water soluble metal salts and residual sulfate. A second set of samples was cross sectioned dry and polished in a nonaqueous medium. Element distributions within the oxide scale were obtained from electron microprobe X-ray micrographs. Evolution of SO was monitored throughout the thermogravimetric tests. Kinetic rate studies were performed for several pertinent processes; appropriate rate constants were obtained from the following chemical reactions: Cr2O3 + 2 Na2SO4(1) + 3/2 O2 yields 2 Na2CrO4(1) + 2 SO3(g)n TiO2 + Na2SO4(1) yields Na2O(TiO2)n + SO3(g)n TiO2 + Na2CrO4(1) yields Na2O(TiO2)n + CrO3(g).

Fryburg, G. C.↗
NASA NTRS1999

Chemical Hygiene Program

The Chemical Management Team is responsible for ensuring compliance with the OSHA Laboratory Standard. The program at Lewis Research Center (LeRC) evolved over many years to include training, developing Standard Operating Procedures (SOPS) for each laboratory process, coordinating with other safety and health organizations and teams at the Center, and issuing an SOP binder. The Chemical Hygiene Policy was first established for the Center. The Chemical Hygiene Plan was established and reviewed by technical, laboratory and management for viability and applicability to the Center. A risk assessment was conducted for each laboratory. The laboratories were prioritized by order of risk, higher risk taking priority. A Chemical Management Team staff member interviewed the lead researcher for each laboratory process to gather the information needed to develop the SOP for the process. A binder containing the Chemical Hygiene Plan, the SOP, a map of the laboratory identifying the personal protective equipment and best egress, and glove guides, as well as other guides for safety and health. Each laboratory process has been captured in the form of an SOP. The chemicals used in the procedure have been identified and the information is used to reduce the number of chemicals in the lab. The Chemical Hygiene Plan binder is used as a training tool for new employees. LeRC is in compliance with the OSHA Standard. The program was designed to comply with the OSHA standard. In the process, we have been able to assess the usage of chemicals in the laboratories, as well as reduce or relocate the chemicals being stored in the laboratory. Our researchers are trained on the hazards of the materials they work with and have a better understanding of the hazards of the process and what is needed to prevent any incident. From the SOP process, we have been able to reduce our chemical inventory, determine and implement better hygiene procedures and equipment in the laboratories, and provide specific training to our employees. As a result of this program, we are adding labeling to the laboratories for emergency responders and initiating a certified chemical user program.

Mayor, Antoinette C.↗
NASA NTRS1973

Water quality parameters of harbors of Charlotte Amalie, St. Thomas, Virgin Islands: Acquisition of in situ water data, intercorrelation of selected water parameters, and initial correlation of these in situ biological, chemical and physical data with ERTS-1 bulk CCT MSS band 5 data

The author has identified the following significant results. Remote sensing by the ERTS-1 satellite was compared with selected water quality parameters including pH, salinity, conductivity, dissolved oxygen, water depth, water temperature, turbidity, plankton concentration, current variables, chlorophylla, total carotenoids, and species diversity of the benthic community. Strong correlation between turbidity and MSS-sensed radiance was recorded and less strong correlations between the two plankton pigments and radiance. Turbidity and benthic species diversity were highly correlated furnishing an inferential tie between an easily sensed water quality variable and a sensitive indicator of average water quality conditions.

Coulbourn, W. C.↗
NASA NTRS2020

Laboratory Studies of Astronomical Ices: Reaction Chemistry and Spectroscopy

In this article, we will describe the work of the Cosmic Ice Laboratory at NASA’s Goddard Space Flight Center to characterize the composition of and to understand the chemistry occurring in icy bodies in the Solar System and beyond. Our work has touched on a wide range of extraterrestrial environments including icy interstellar grains, small bodies such as comets and asteroids, and planets and moons. We are especially interested in the chemical and physical changes that occur in ices as a result of thermal changes or exposure to radiation. To this end, we conduct experiments designed to simulate cold extraterrestrial environments and measure physical properties of single- and multi-component ices. We expose ices to radiation (e.g., MeV protons or keV-MeV electrons) or high-energy photons (e.g., UV) to initiate physical and chemical changes. We conduct experiments using cryo-vacuum chambers equipped with analytical tools and radiation sources to make most of our measurements, including the collection of all spectroscopic data,in situ. When possible and appropriate, we also collect reaction products for further ex situ analysis. The work of the Cosmic Ice Lab provides critical data to astrochemists and others seeking to understand observations, make predictions, and plan future space missions.

Christopher K Materese↗
NASA NTRS2018

GMI-IPS: Python Processing Software for Aircraft Campaigns

NASA's Atmospheric Tomography Mission (ATom) seeks to understand the impact of anthropogenic air pollution on gases in the Earth's atmosphere. Four flight campaigns are being deployed on a seasonal basis to establish a continuous global-scale data set intended to improve the representation of chemically reactive gases in global atmospheric chemistry models. The Global Modeling Initiative (GMI), is creating chemical transport simulations on a global scale for each of the ATom flight campaigns. To meet the computational demands required to translate the GMI simulation data to grids associated with the flights from the ATom campaigns, the GMI ICARTT Processing Software (GMI-IPS) has been developed and is providing key functionality for data processing and analysis in this ongoing effort. The GMI-IPS is written in Python and provides computational kernels for data interpolation and visualization tasks on GMI simulation data. A key feature of the GMI-IPS, is its ability to read ICARTT files, a text-based file format for airborne instrument data, and extract the required flight information that defines regional and temporal grid parameters associated with an ATom flight. Perhaps most importantly, the GMI-IPS creates ICARTT files containing GMI simulated data, which are used in collaboration with ATom instrument teams and other modeling groups. The initial main task of the GMI-IPS is to interpolate GMI model data to the finer temporal resolution (1-10 seconds) of a given flight. The model data includes basic fields such as temperature and pressure, but the main focus of this effort is to provide species concentrations of chemical gases for ATom flights. The software, which uses parallel computation techniques for data intensive tasks, linearly interpolates each of the model fields to the time resolution of the flight. The temporally interpolated data is then saved to disk, and is used to create additional derived quantities. In order to translate the GMI model data to the spatial grid of the flight path as defined by the pressure, latitude, and longitude points at each flight time record, a weighted average is then calculated from the nearest neighbors in two dimensions (latitude, longitude). Using SciPya's Regular Grid Interpolator, interpolation functions are generated for the GMI model grid and the calculated weighted averages. The flight path points are then extracted from the ATom ICARTT instrument file, and are sent to the multi-dimensional interpolating functions to generate GMI field quantities along the spatial path of the flight. The interpolated field quantities are then written to a ICARTT data file, which is stored for further manipulation. The GMI-IPS is aware of a generic ATom ICARTT header format, containing basic information for all flight campaigns. The GMI-IPS includes logic to edit metadata for the derived field quantities, as well as modify the generic header data such as processing dates and associated instrument files. The ICARTT interpolated data is then appended to the modified header data, and the ICARTT processing is complete for the given flight and ready for collaboration. The output ICARTT data adheres to the ICARTT file format standards V1.1. The visualization component of the GMI-IPS uses Matplotlib extensively and has several functions ranging in complexity. First, it creates a model background curtain for the flight (time versus model eta levels) with the interpolated flight data superimposed on the curtain. Secondly, it creates a time-series plot of the interpolated flight data. Lastly, the visualization component creates averaged 2D model slices (longitude versus latitude) with overlaid flight track circles at key pressure levels. The GMI-IPS consists of a handful of classes and supporting functionality that have been generalized to be compatible with any ICARTT file that adheres to the base class definition. The base class represents a generic ICARTT entry, only defining a single time entry and 3D spatial positioning parameters. Other classes inherit from this base class; several classes for input ICARTT instrument files, which contain the necessary flight positioning information as a basis for data processing, as well as other classes for output ICARTT files, which contain the interpolated model data. Utility classes provide functionality for routine procedures such as: comparing field names among ICARTT files, reading ICARTT entries from a data file and storing them in data structures, and returning a reduced spatial grid based on a collection of ICARTT entries. Although the GMI-IPS is compatible with GMI model data, it can be adapted with reasonable effort for any simulation that creates Hierarchical Data Format (HDF) files. The same can be said of its adaptability to ICARTT files outside of the context of the ATom mission. The GMI-IPS contains just under 30,000 lines of code, eight classes, and a dozen drivers and utility programs. It is maintained with GIT source code management and has been used to deliver processed GMI model data for the ATom campaigns that have taken place to date.

Damon, M. R.↗
NASA NTRS2006

Geochemistry of Pallasite Olivines and the Origin of Main-Group Pallasites

Main-group pallasites (PMG) are mixtures of iron-nickel metal and magnesian olivine thought to have been formed at the core-mantle boundary of an asteroid [1]. Some have anomalous metal compositions (PMG-am) and a few have atypically ferroan olivines (PMG-as) [2]. PMG metal is consistent with an origin as a late fractionate of the IIIAB iron core [2]. Most PMG olivines have very similar Fe/Mg ratios, likely due to subsolidus redox reaction with the metal [3]. In contrast, minor and trace elements show substantial variation, which may be explained by either: (i) PMG were formed at a range of depths in the parent asteroid; the element variations reflect variations in igneous evolution with depth, (ii) the pallasite parent asteroid was chemically heterogeneous; the heterogeneity partially survived igneous processing, or (iii) PMG represent the core-mantle boundaries of several distinct parent asteroids [4, 5]. We have continued doing major, minor and trace elements by EMPA and INAA on a wider suite of PMG olivines, and have begun doing precise oxygen isotope analyses to test these hypotheses. Manganese is homologous with Fe(2+), and can be used to distinguish between magmatic and redox processes as causes for Fe/Mg variations. PMG olivines have a range in molar 1000*Mn/Mg of 2.3-4.6 indicating substantial igneous fractionation in olivines with very similar Fe/Mg (0.138-0.148). The Mg-Mn-Fe distributions can be explained by a fractional crystallization-reduction model; higher Mn/Mg ratios reflect more evolved olivines while Fe/Mg is buffered by redox reactions with the metal. There is a positive association between Mn/Mg and Sc content that is consistent with igneous fractionation. However, most PMG olivines fall within a narrow Mn/Mg range (3.0-3.6), but these show a substantial range in Sc (1.00-2.29 micro-g/g). Assuming fractional crystallization, this Sc range could have resulted from approx.65% crystallization of an ultramafic magma. This is inconsistent with formation at the core-mantle boundary of a single asteroid [4]. One alternative is that the PMG are fragments of several asteroids, and these could have had different initial Sc contents, Mn/Mg and differences in igneous history. Our preliminary O isotope data and those of [6, 7] do not support this, although the coverage of PMG olivines is incomplete. The PMG-as Springwater is not easily fit in any scenario. Its olivine has among the highest Mn/Mg suggesting it is one of the most evolved, but the lowest Sc content suggesting it is the least evolved. The O isotopic composition of Springwater olivine is the same as that of other PMG. Thus there is no indication that it represents a distinct parent asteroid. Our preliminary O isotopic data favor a single PMG parent asteroid. In this case, the olivines are more likely melt-residues, and that the parent asteroid was initially heterogeneous in chemical, but not isotopic, composition.

Mittlefehldt, D. W.↗