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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

High-Latitude Stratospheric Sensitivity to QBO Width in a Chemistry-Climate Model with Parameterized Ozone Chemistry

In a pair of idealized simulations with a simplified chemistry-climate model, the sensitivity of the wintertime Arctic stratosphere to variability in the width of the quasi-biennial oscillation (QBO) is assessed. The width of the QBO appears to have equal influence on the Arctic stratosphere as does the phase (i.e. the Holton-Tan mechanism). In the model, a wider QBO acts like a preferential shift toward the easterly phase of the QBO, where zonal winds at 60 N tend to be relatively weaker, while 50 hPa geopotential heights and polar ozone values tend to be higher.

Hurwitz, M. M.↗
NASA NTRS2011

Vesper - Venus Chemistry and Dynamics Orbiter - A NASA Discovery Mission Proposal: Submillimeter Investigation of Atmospheric Chemistry and Dynamics

Vesper conducts a focused investigation of the chemistry and dynamics of the middle atmosphere of our sister planet- from the base of the global cloud cover to the lower thermosphere. The middle atmosphere controls the stability of the Venus climate system. Vesper determines what processes maintain the atmospheric chemical stability, cause observed variability of chemical composition, control the escape of water, and drive the extreme super-rotation. The Vesper science investigation provides a unique perspective on the Earth environment due to the similarities in the middle atmosphere processes of both Venus and the Earth. Understanding key distinctions and similarities between Venus and Earth will increase our knowledge of how terrestrial planets evolve along different paths from nearly identical initial conditions.

Chin, Gordon↗
NASA NTRS1990

Modeling the chemistry of the dense interstellar clouds. I - Observational constraints for the chemistry

A search for correlations arising from molecular line data is made in order to place constraints on the chemical models of interstellar clouds. At 10 to the 21st H2/sq cm, N(CO) for dark clouds is a factor of six greater than the value for diffuse clouds. This implies that the strength of the UV radiation field where CO shields itself from dissociation is about one-half the strength of the average Galactic field. The dark cloud data indicate that the abundance of CO continues to increase with A(V) for directions with A(V) of 4 mag or less, although less steeply with N(H2) than for diffuse clouds. For H2CO, a quadratic relationship is obtained in plots versus H2 column density. The data suggest a possible turnover at the highest values for A(V). NH3 shows no correlation with H2, C(O-18), HC3N, or HC5N; a strong correlation is found between HC5N and HC3N, indicating a chemical link between the cyanopolyynes.

Federman, S. R.↗
NASA NTRS1992

The Chemistry of the Global Atmosphere; International Symposium of the Commission for Atmospheric Chemistry and Global Pollution of IAMAP, 7th, Chamrousse, France, Sept. 5-11, 1990, Selected Papers

Topics presented include the adsorption and reaction of trichlorofluoromethane on various particles, equilibria of the marine multiphase ammonia system, a novel ozone sensor for direct eddy flux measurements, and characterization of the carbonate content of atmospheric aerosols. Also presented are variations in heavy metals concentrations in Antarctic snows, sources of continental dust over Antarctica during the last glacial cycle, an inventory of anthropogenic emissions and air pollution in the USSR, and atmospheric nuclei in the remote free-troposphere.

Buat-Menard, P.↗
NASA NTRS2012

An Overview of the Lightning - Atmospheric Chemistry Aspects of the Deep Convective Clouds and Chemistry (DC3) Experiment

Some of the major goals of the DC3 experiment are to determine the contribution of lightning to NO(x) in the anvils of observed thunderstorms, examine the relationship of lightning NO(x) production to flash rates and to lightning channel lengths, and estimate the relative production per flash for cloud-to-ground flashes and intracloud flashes. In addition, the effects of lightning NO(x) production on photochemistry downwind of thunderstorms is also being examined. The talk will survey the observation types that were conducted during DC3 relevant to these goals and provide an overview of the analysis and modeling techniques which are being used to achieve them. NO(x) was observed on three research aircraft during DC3 (the NCAR G-V, the NASA DC-8, and the DLR Falcon) in flights through storm anvils in three study regions (NE Colorado, Central Oklahoma to West Texas, and northern Alabama) where lightning mapping arrays (LMAs) and radar coverage were available. Initial comparisons of the aircraft NOx observations in storm anvils relative to flash rates have been conducted, which will be followed with calculations of the flux of NO(x) through the anvils, which when combined with observed flash rates can be used to estimate storm-average lightning NOx production per flash. The WRF-Chem model will be run for cloud-resolved simulations of selected observed storms during DC3. Detailed lightning information from the LMAs (flash rates and flash lengths as a function of time and vertical distributions of flash channel segments) will be input to the model along with assumptions concerning NO(x) production per CG flash and per IC flash. These assumptions will be tested through comparisons with the aircraft NOx data from anvil traverses. A specially designed retrieval method for lightning NO2 column amounts from the OMI instrument on NASA fs Aura satellite has been utilized to estimate NO2 over the region affected by selected DC3 storms. Combined with NO(x) to NO2 ratios from the aircraft data and WRF-Chem model and observed flash rates, average NO(x) production per flash can be estimated. Ozone production downwind of observed storms can be estimated from the WRF-Chem simulations and the specific downwind flights.

Pickering, K. E.↗
NASA NTRS2022

Prescribing Stratospheric Chemistry Overestimates Southern Hemisphere Climate Change During Austral Spring in Response to Quadrupled CO2

The interaction of stratospheric chemistry with a changing climate from an abrupt CO2 quadrupling is assessed using the coupled atmosphere–ocean Goddard Earth Observing System Chemistry-Climate Model (GEOSCCM). Two abrupt 4 × CO2 experiments were performed, one with interactive stratospheric chemistry and the other with a prescribed stratospheric chemistry that does not simulate stratospheric ozone response to 4 × CO2. The interactive and prescribed chemistry experiments simulate similar global mean surface temperature change. Nevertheless, interactive chemistry is critical to capture the Southern Hemisphere tropospheric midlatitude jet response to 4 × CO2. When stratospheric ozone response to 4 × CO2 is neglected, GEOSCCM overestimates Southern Hemisphere tropospheric circulation change. This stratospheric chemistry-induced climate impact has large seasonal variability. During the austral spring season September–October–November (SON), prescribed chemistry yields a stronger poleward shift and intensification of the Southern Hemisphere midlatitude tropospheric jet, surface wind stress, and the Southern Ocean meridional overturning circulation than occurs with interactive chemistry. In other seasons interactive and prescribed chemistry have similar effects on the Southern Hemisphere circulation. The seasonality of stratospheric chemistry-induced climate impact is related to the seasonality of Antarctic lower stratospheric ozone response to 4 × CO2. In contrast to this stratospheric ozone response to 4 × CO2, stratospheric ozone recovery from decline of the ozone depleting substances has its largest impact on the Southern Hemisphere tropospheric circulation in austral summer (December–January–February), but no effects in SON. It is found that the different seasonality for these two stratospheric ozone layer change scenarios is related to the different seasonality of tropopause meridional temperature gradient response.

Stratospheric ozone feedback↗
NASA NTRS2013

Investigating Titan's Atmospheric Chemistry at Low Temperature in Support of the NASA Cassini Mission

Titan's atmosphere, composed mainly of N2 and CH4, is the siege of a complex chemistry induced by solar UV radiation and electron bombardment from Saturn's magnetosphere. This organic chemistry occurs at temperatures lower than 200 K and leads to the production of heavy molecules and subsequently solid aerosols that form the orange haze surrounding Titan. The Titan Haze Simulation (THS) experiment has been developed on the COSMIC simulation chamber at NASA Ames in order to study the different steps of Titan's atmospheric chemistry at low temperature and to provide laboratory data in support for Cassini data analysis. The chemistry is simulated by plasma in the stream of a supersonic expansion. With this unique design, the gas mixture is adiabatically cooled to Titan-like temperature (approx. 150 K) before inducing the chemistry by plasma discharge. Different gas mixtures containing N2, CH4, and the first products of the N2,-CH4 chemistry (C2H2, C2H4, C6H6...) but also heavier molecules such as PAHs or nitrogen containing PAHs can be injected. Both the gas phase and solid phase products resulting from the plasma-induced chemistry can be monitored and analyzed. Here we present the results of recent gas phase and solid phase studies that highlight the chemical growth evolution when injecting heavier hydrocarbon trace elements in the initial N2-CH4 mixture. Due to the short residence time of the gas in the plasma discharge, only the first steps of the chemistry have time to occur in a N2-CH4 discharge. However by adding acetylene and benzene to the initial N2-CH4 mixture, we can study the intermediate steps of Titan's atmospheric chemistry as well as specific chemical pathways. These results show the uniqueness of the THS experiment to help understand the first and intermediate steps of Titan fs atmospheric chemistry as well as specific chemical pathways leading to Titan fs haze formation.

Sciamma-O'Brien, Ella↗
DOE OSTI2025

Hidden Features: How Subsurface and Landscape Heterogeneity Govern Hydrologic Connectivity and Stream Chemistry in a Montane Watershed

ABSTRACT Hydrologic connectivity is defined as the connection among stores of water within a watershed and controls the flux of water and solutes from the subsurface to the stream. Hydrologic connectivity is difficult to quantify because it is goverened by heterogeniety in subsurface storage and permeability and responds to seasonal changes in precipitation inputs and subsurface moisture conditions. How interannual climate variability impacts hydrologic connectivity, and thus stream flow generation and chemistry, remains unclear. Using a rare, four‐year synoptic stream chemistry dataset, we evaluated shifts in stream chemistry and stream flow source of Coal Creek, a montane, headwater tributary of the Upper Colorado River. We leveraged compositional principal component analysis and end‐member mixing to evaluate how seasonal and interannual variation in subsurface moisture conditions impacts stream chemistry. Overall, three main findings emerged from this work. First, three geochemically distinct end members were identified that constrained stream flow chemistry: reach inflows, and quick and slow flow groundwater contributions. Reach inflows were impacted by historic base and precious metal mine inputs. Bedrock fractures facilitated much of the transport of quick flow groundwater and higher‐storage subsurface features (e.g., alluvial fans) facilitated the transport of slow flow groundwater. Second, the contributions of different end members to the stream changed over the summer. In early summer, stream flow was composed of all three end members, while in late summer, it was composed predominantly of reach inflows and slow flow groundwater. Finally, we observed minimal differences in proportional composition in stream chemistry across all four years, indicating seasonal variability in subsurface moisture and spatial heterogeneity in landscape and geologic features had a greater influence than interannual climate fluctuation on hydrologic connectivity and stream water chemistry. These findings indicate that mechanisms controlling solute transport (e.g., hydrologic connectivity and flow path activation) may be resilient (i.e., able to rebound after perturbations) to predicted increases in climate variability. By establishing a framework for assessing compositional stream chemistry across variable hydrologic and subsurface moisture conditions, our study offers a method to evaluate watershed biogeochemical resilience to variations in hydrometeorological conditions.

Johnson, Keira [College of Earth, Ocean, and Atmos↗
NASA NTRS2015

The THS Experiment: Simulating Titans Atmospheric Chemistry at Low Temperature (200K)

In Titan's atmosphere, composed mainly of N2 (95-98%) and CH4 (2-5%), a complex chemistry occurs at low temperature, and leads to the production of heavy organic molecules and subsequently solid aerosols. Here, we used the Titan Haze Simulation (THS) experiment, an experimental setup developed at the NASA Ames COSmIC simulation facility to study Titan's atmospheric chemistry at low temperature. In the THS, the chemistry is simulated by plasma in the stream of a supersonic expansion. With this unique design, the gas is cooled to Titan-like temperature ( approximately 150K) before inducing the chemistry by plasma, and remains at low temperature in the plasma discharge (approximately 200K). Different N2-CH4-based gas mixtures can be injected in the plasma, with or without the addition of heavier precursors present as trace elements on Titan, in order to monitor the evolution of the chemical growth. Both the gas- and solid phase products resulting from the plasma-induced chemistry can be monitored and analyzed using a combination of complementary in situ and ex situ diagnostics. A recent mass spectrometry[1] study of the gas phase has demonstrated that the THS is a unique tool to probe the first and intermediate steps of Titan's atmospheric chemistry at Titan-like temperature. In particular, the mass spectra obtained in a N2-CH4-C2H2-C6H6 mixture are relevant for comparison to Cassini's CAPS-IBS instrument. The results of a complementary study of the solid phase are consistent with the chemical growth evolution observed in the gas phase. Grains and aggregates form in the gas phase and can be jet deposited on various substrates for ex situ analysis. Scanning Electron Microscopy images show that more complex mixtures produce larger aggregates. A mass spectrometry analysis of the solid phase has detected the presence of aminoacetonitrile, a precursor of glycine, in the THS aerosols. X-ray Absorption Near Edge Structure (XANES) measurements also show the presence of imine and nitrile functional groups, showing evidence of nitrogen chemistry. These complementary studies show the high potential of THS to better understand Titan's chemistry and the origin of aerosol formation.

Laboratory↗
DOE OSTI2024

Uranium Chemistry: Identifying the Next Frontiers

While uranium is the most extensively studied actinide in terms of chemical properties, there remains much to be explored about its fundamental chemistry. Organometallic and organoactinide chemistry first emerged in the 1950s with research that found inspiration from transition-metal chemistry with the synthesis and characterization of uranocene, expanding new opportunities for organoactinide chemistry. Since then, a significant amount of research has pursued many avenues characterizing the fundamental nature of the f orbitals and their modes of bonding as well as their potential in catalysis. Uranium(III/IV) arene complexes dominate much of uranium organometallic chemistry, with bonding interactions stabilized by δ-back-bonding. Recent additions to this area of chemistry include the first UI and new additions of U II organouranium compounds. Uranium–transition metal complexes are still rare and maintain U IV oxidation states, with variable bond lengths determining the transition-metal oxidation state. Resultant reactivities are discussed as synthetic complexes, and unique bonding and coordination motifs are highlighted. In conclusion, this Viewpoint will focus on significant developments in uranium chemistry from the last 15 years while considering key areas for future research.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

Interactive Gas Chemistry for Enhanced Science Capabilities of the Energy Exascale Earth System Model Version 3

Atmospheric chemistry plays a crucial role in Earth system models (ESMs), controlling atmospheric composition and radiative balance; it is highly interactive with the physical climate, biogeochemical cycles, and human systems. However, it often imposes computational challenges in an ESM. Here we develop a full troposphere‐stratosphere interactive chemistry module for the US Department of Energy's Energy Exascale Earth System Model (E3SM). We intentionally build a streamlined module based on E3SM version 2 that interacts with other components and maintains all of major chemical and chemistry‐climate feedbacks. The module incorporates a new, highly efficient tracer advection scheme; linearization of stratospheric chemistry; and abridged tropospheric chemical mechanism with 28 reactive tracers. This new model, E3SM‐chem, can readily perform century‐long climate simulations of ozone, methane, and nitrous oxide based on emission scenarios as well as provide hourly budgets for the gas‐phase radicals that drive aerosol chemistry. We evaluate E3SM‐chem with an atmosphere‐only simulation as in the recent climate model intercomparison project (CMIP6) finding results similar to the other CMIP6 models. For the present‐day, E3SM‐chem matches the standard measurement metrics for stratospheric and tropospheric ozone, surface air quality, other key reactive gases like carbon monoxide, and the methane lifetime. Overall, E3SM‐chem maintains the climate fidelity of the baseline model while adding at most 20% to the computational cost of the atmosphere model. Hence, interactive chemistry can be a default configuration for long climate simulations at resolutions of 1° or finer, which is crucial for producing self‐consistent chemistry‐climate feedbacks that alter the climate system.

54 ENVIRONMENTAL SCIENCES↗