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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Transitioning TEMPO Data for Air Quality Management Applications at the NASA SPoRT Center

The TEMPO mission has been observing air pollutants every hour during the daytime across its Field of Regard (FoR) covering greater North America since First Light on August 2, 2023. The highly anticipated public release of TEMPO data occurred on May 20, 2024, consisting of level 2 and level 3 trace gas data products of nitrogen dioxide, formaldehyde, and ozone. The NASA SPoRT Center is developing value-added products and tools to support the TEMPO mission and Early Adopters program with special attention on stakeholder from air agencies. One component of our work is focused on evaluating the TEMPO products over stakeholder target areas using Pandora and surface monitor observations to characterize the uncertainties and develop best practices for processing and analyzing TEMPO data. Methods for oversampling TEMPO data to 1 km resolution are being applied over the target areas to resolve fine-scale emission sources and pollutant gradients. Machine learning techniques using TEMPO, surface monitor, and model data to estimate surface-level nitrogen dioxide concentrations are being developed over the target areas. A SPoRT viewer for TEMPO has been launched for providing visualizations of the TEMPO products and an ArcGIS dashboard is being designed for enabling air agency stakeholders to efficiently analyze TEMPO data. Training materials including user guides are being developed to ensure the effective and sustained use of TEMPO data at our stakeholder agencies. One major goal of our TEMPO initiatives at SPoRT is to better enable the inclusion of TEMPO data in air quality management applications such as exceptional event demonstrations through our close engagement with stakeholders. This talk will provide an update on our SPoRT activities and showcase use cases of TEMPO data for monitoring different emission sources including wildland fire smoke.

Air Quality↗
NASA NTRSDate not supplied

Development of TEMPO Products and Tools to Support Air Quality Management Decisions

The TEMPO mission has been observing air pollutants every hour during the daytime across its Field of Regard (FoR) covering greater North America since First Light on August 2, 2023. The highly anticipated public release of TEMPO data occurred on May 20, 2024, consisting of level 2 and level 3 trace gas data products of nitrogen dioxide, formaldehyde, and ozone. Our project at the NASA SPoRT Center is developing value-added products and tools to support the TEMPO mission and Early Adopters program with special attention on the air quality management community. The initial focus of this project is evaluating the TEMPO products over stakeholder target areas using Pandora and surface monitor observations. Methods for oversampling TEMPO data to 1 km resolution are being applied over the target areas to resolve fine-scale emission sources and pollutant gradients. Machine learning techniques using TEMPO, surface monitor, and model data to estimate surface-level nitrogen dioxide concentrations are being developed over the target areas. Our SPoRT viewer has been updated to include visualizations of the TEMPO products and an ArcGIS dashboard is being designed for enabling air quality management stakeholders to efficiently analyze TEMPO data. Training materials including user guides are being developed to ensure the effective and sustained use of TEMPO data in air quality management applications. The major outcome of this project is to support the inclusion of TEMPO data in exceptional event demonstrations by active engagement with stakeholders and ultimately enable more informed air quality management decisions in the future. This talk will provide an update on our project activities and showcase use cases of TEMPO data for monitoring different emission sources including wildland fire smoke.

air quality↗
NASA NTRS1976

A global reference atmospheric model for surface to orbital altitudes

An empirical atmospheric model has been developed which generates values for pressure, density, temperature and winds from surface levels to orbital altitudes. The output parameters consist of components for: (1) latitude, longitude, and altitude dependent monthly means; (2) quasi-biennial oscillations; and (3) random perturbations to partially simulate the variability due to synoptic, diurnal, planetary wave and gravity wave variations. The monthly mean models consist of: NASA's four dimensional worldwide model for height, latitude, and longitude dependent monthly means from the surface to 25 km; and a newly developed latitude-longitude dependent model which is an extension of the Groves latitude dependent model for the region between 25 and 90 km. The Jacchia 1970 model is used above 90 km and is faired with the modified Groves values between 90 and 115 km. Quasi-biennial and random variation perturbations are computed from parameters determined from various empirical studies, and are added to the monthly mean values.

Justus, C. G.↗
DOE OSTI2026

Charged Defects in UO 2 Bulk and Surface: A First-Principles Study

Uranium dioxide (UO 2 ) is the primary fuel used in nuclear reactors. Under the extreme heat and radiation inside a reactor, this material inevitably develops defects in its crystal structure. To investigate the nature and behavior of these defects, DFT+U calculations were employed to investigate charged point defects in both bulk UO 2 and its most stable surface, the (111) plane. The formation of defects and their impact on the electronic structure were systematically examined. The results reveal that these defects introduce localized electronic states, alter magnetic behavior, and modify the structural properties. In general, such defects act as deep traps capable of capturing and retaining charge carriers. The stability of these defects depends strongly on the chemical environment and the position of the Fermi level. Surface defect calculations reveal that oxygen vacancies form more readily at the surface than in the bulk over a wide range of electron chemical potential, with subsurface oxygen vacancies being more stable than those in the top layer. Overall, the findings demonstrate how charged defects influence magnetism, transport, and stability in UO 2 , providing insights that may guide improvements in the safety and efficiency of nuclear fuel.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

VIPER: Systems Integration Status

NASA’s Artemis Program plans to return humans to the Moon for an extended stay. To do so will require substantial resources to sustain that continued human presence, including continuous supplies delivered from the Earth. Given the expense and complexity of resource deliveries from Earth, if some resources were indigenously available, substantial logistical savings could be available by “living off the land”, wherever possible. The LCROSS[1] , LRO and other missions have confirmed the presence of resources such as water-ice and other volatiles in lunar polar regions, so the next step is to understand the scientific nature and physical distribution of those candidate resources. Those local volatiles could be processed into propellants and human life-supporting needs, reducing risk of maintaining a permanent human presence on the Moon. The Volatiles Investigating Polar Exploration Resource (VIPER) is a surface mobility scientific platform, designed to spend ~100 days mapping and surveying four different Ice Stability Regions to understand the scientific nature and distribution of water and other volatiles. VIPER will also provide scientific mineralogical context of the lunar regolith, such as the presence of silicon and light metals in lunar regolith, providing a composite picture of resource availability and sustainment. This paper will discuss the latest systems-level integration activities by the VIPER team, following our initial introduction to this mission at IAC2021[2] . The VIPER team successfully passed its Systems Integration Review (SIR) in late-2022, and in early 2023, began system-level surface segment (rover) flight hardware assembly. VIPER is managed within NASA’s Science Mission Directorate (SMD), utilizing the Commercial Lunar Payload Services (CLPS) lunar delivery model with partner, Astrobotic, Inc.

VIPER↗
NASA NTRS2021

Sub-city Scale Hourly Air Quality Forecasting by Combining Models, Satellite Observations, and Ground Measurements

While multiple information sources exist concerning surface-level air pollution, no individual source simultaneously provides large-scale spatial coverage, fine spatial and temporal resolution, and high accuracy. It is, therefore, necessary to integrate multiple data sources, using the strengths of each source to compensate for the weaknesses of others. In this study, we propose a method incorporating outputs of NASA’s GEOS Composition Forecasting model system with satellite information from the TROPOMI instrument and ground measurement data on surface concentrations. Although we use ground monitoring data from the Environmental Protection Agency network in the continental United States, the model and satellite data sources used have the potential to allow for global application. This method is demonstrated using surface measurements of nitrogen dioxide as a test case in regions surrounding five major US cities. The proposed method is assessed through cross-validation against withheld ground monitoring sites. In these assessments, the proposed method demonstrates major improvements over two baseline approaches which use ground-based measurements only. Results also indicate the potential for near-term updating of forecasts based on recent ground measurements.

C. Malings↗
NASA NTRSDate not supplied

Challenges in Observing, Modeling, and Forecasting the June 2023 Smoke Event Over the Northeast United States

In the first week of May 2023, boreal Canada began an early start to the biomass burning season when fires erupted across Alberta and western Saskatchewan. Smoke entered the troposphere and spread across the United States as biomass burning emissions in Canada quadrupled the prior maximum since the onset of the MODIS satellite record. Adding to the already existing smoke, wildfires ignited in Quebec on June 2, 2023, producing a heavy plume of aerosol over the northeastern part of the continent. Meteorological factors, including an area of low pressure situated, nearly stationary, over Maine, transported the smoke into a densely populated corridor containing the cities of Washington, DC, Baltimore, Philadelphia, and New York City. Air quality alerts became widespread as near-surface levels of fine particulate matter (PM2.5) exceeded harmful levels due the low altitude of the smoke plume. Forecasting the smoke transport and impacts of such events requires a complex combination of observed initial conditions for meteorology and aerosols, knowledge of the emissions from wildfires, and a state-of-the-art Earth System model that couples these components together. Using a case-study perspective with the Goddard Earth Observing System (GEOS), challenges associated with near real time forecasting of the smoke plume are presented. Analyzed and forecasted aerosol optical depth will be evaluated using available satellite and AERONET observations, while surface aerosol will be assessed relative to observations of PM2.5. Lacking real time estimates of biomass burning emissions for inputs to our forecast model, particular attention is given to the use of day-old biomass burning emissions throughout the forecast period covering the first ten days in June 2023, and the resulting reduction in forecast skill will be quantified.

Allison Collow↗
NASA NTRSDate not supplied

Challenges in Observing, Modeling, and Forecasting the June 2023 Smoke Event over the Northeast United States

In the first week of May 2023, boreal Canada began an early start to the biomass burning season when fires erupted across Alberta and western Saskatchewan. Smoke entered the troposphere and spread across the United States as biomass burning emissions in Canada quadrupled the prior maximum since the onset of the MODIS satellite record. Adding to the already existing smoke, wildfires ignited in Quebec on June 2, 2023, producing a heavy plume of aerosol over the northeastern part of the continent. Meteorological factors, including an area of low pressure situated, nearly stationary, over Maine, transported the smoke into a densely populated corridor containing the cities of Washington, DC, Baltimore, Philadelphia, and New York City. Air quality alerts became widespread as near-surface levels of fine particulate matter (PM2.5) exceeded harmful levels due the low altitude of the smoke plume. Forecasting the smoke transport and impacts of such events requires a complex combination of observed initial conditions for meteorology and aerosols, knowledge of the emissions from wildfires, and a state-of-the-art Earth System model that couples these components together. Using a case-study perspective with the Goddard Earth Observing System (GEOS ), challenges associated with near real time forecasting of the smoke plume are presented. Analyzed and forecasted aerosol optical depth will be evaluated using available satellite and AERONET observations, while surface aerosol will be assessed relative to observations of PM2.5. Lacking real time estimates of biomass burning emissions for inputs to our forecast model, particular attention is given to the use of day-old biomass burning emissions throughout the forecast period covering the first ten days in June 2023, and the resulting reduction in forecast skill will be quantified.

Allison Collow↗
NASA NTRS2021

Cincinnati & Covington Urban Development II: Assessing Flooding and Landslide Susceptibility Along the Ohio-Kentucky Border

Landslides and flooding are reoccurring environmental hazards that lead to health risks and economic burdens in the urban areas of Cincinnati, Ohio and Covington, Kentucky. These communities share underlying natural and artificial conditions that make them vulnerable to these hazards, including excessive precipitation, weak lithology, high impervious surface levels, and steep slopes. Despite the human and economic risks associated with these environmental hazards, the areas of highest vulnerability within the region remain unknown. NASA DEVELOP partnered with Groundwork USA and Groundwork Ohio River Valley (ORV) to assess the region’s susceptibility to landslides and flooding. The team utilized NASA Earth observations, including the Landsat 8 Operational Land Imager (OLI), Landsat 8 Thermal Infrared Sensor (TIRS), and Global Precipitation Measurement (GPM) Integrated Multi-satellitE Retrieval for GPM (IMERG), alongside ancillary datasets to map landslide susceptibility and exposure throughout the study area. The team also used ancillary data to map surface runoff and runoff retention using the Natural Capital Project’s Integrated Valuation of Ecosystem Services and Tradeoffs (InVEST) Urban Flood Risk Mitigation Model. The resulting landslide susceptibility and exposure maps highlight the neighborhoods around Avondale and Fairmount as areas of particularly high landslide exposure. Meanwhile, the InVEST outputs demonstrate that Downtown Cincinnati and the Queensgate neighborhood retain the least amount of rainfall. This research provides partners with a more complete hazard analysis of the greater Cincinnati area while also producing refined methodologies to enhance future flood and landslide vulnerability mapping throughout Groundwork USA’s nationwide network of communities.

Paxton LaJoie↗
DOE OSTI2023

Computer-controlled finishing via dynamically constraint position-velocity-time scheduler

In a Computer Numerical Controlled (CNC) finishing process, the target material removal from an optical surface is guided by the convolution between the influence function of a machine tool and its dwell time at certain points over the surface. To reduce dynamics stressing and increase machining efficiency, the dwell time must be converted to varying velocities, which are the actual inputs to the machine tool controller. Conventionally, the conversion assumed constant acceleration and relied on linear motion interpolation, which caused discontinuities in velocities. This unsmooth motion affects the material removal distribution, and, thus, the accuracy of the finished surface shape. Many modern CNC machines support the smoother, cubic-polynomial interpolated Position-Velocity-Time (PVT) motion mode; however, the conventional scheduler may fail to provide suitable velocities for the PVT. Here in this study answers this challenge by proposing a novel PVT-based velocity scheduler that achieves smooth motion while considering CNC dynamic limits. Firstly, the principle of the PVT is explained, and the PVT-based velocity scheduler is formulated. Secondly, a quadratic programming is used to optimize the velocities by imposing the CNC dynamic constraints and the C 1 continuities (zeroth and first derivatives are continuous) simultaneously. Thirdly, the smoothness and accuracy of the scheduled velocities are studied on different kinds of tool paths via simulation. Finally, a sub-0.3 nm level surface finishing experiment using ion beam figuring is demonstrated to verify the feasibility of the proposed method. The PVT-based scheduler and simulator code is open-sourced.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Airborne boundary layer flux measurements of trace species over Canadian boreal forest and northern wetland regions

Airborne heat, moisture, O3, CO, and CH4 flux measurements were obtained over the Hudson Bay lowlands (HBL) and northern boreal forest regions of Canada during July - August 1990. The airborne flux measurements were an integral part of the NASA/Arctic Boundary Layer Expedition (ABLE) 3B field experiment executed in collaboration with the Canadian Northern Wetlands Study (NOWES). Airborne CH4 flux measurements were taken over a large portion of the HBL. The surface level flux of CH4 was obtained from downward extrapolations of multiple-level CH4 flux measurements. Methane source strengths ranged from -1 to 31 mg m(exp -2)/d, with the higher values occurring in relatively small, isolated areas. Similar measurements of the CH4 source strength in the boreal forest region of Schefferville, Quebec, ranged from 6 to 27 mg m(exp -2)/d and exhibited a diurnal dependence. The CH4 source strengths found during the ABLE 3B expedition were much lower than the seasonally averaged source strength of 51 mg m(exp -2)/d found for the Yukon-Kuskokwim delta region of Alaska during the previous ABLE 3A study. Large positive CO fluxes (0.31 to 0.53 parts per billion by volume (ppbv) m/s) were observed over the inland, forested regions of the HBL study area, although the mechanism for the generation of these fluxes was not identified. Repetitive measurements along the same ground track at various times of day near the Schefferville site also suggested a diurnal dependence for CO emissions. Measurements of surface resistance to the uptake of O3 (1.91 to 0.80 s/cm) for the HBL areas investigated were comparable to those observed near the Schefferville site (3.40 to 1.10 s/cm). Surface resistance values for the ABLE 3B study area were somewhat less than those observed over the Yukon-Kuskokwim delta during the previous ABLE 3A study. The budgets for heat, moisture, O3, CO, and CH4 were evaluated. The residuals from these budget studies indicated, for the cases selected, a moderate net photochemical production of O3 present in the boundary layer over the HBL that coincided with an in situ destruction of CO, although the mechanism responsible for the destruction of CO was not identified. Results from the O3 budget analysis indicate the importance of in situ photochemical production and its possible dominance over surface deposition to the local O3 budget at the Schefferville site. Measurements of the in situ production of O3 indicated a direct relationship between the presence of biomass burning or large-scale pollution effects. Residuals from budget calculations for conserved quantities (heat, moisture, and CH4) were compared with their respective surface fluxes to provide a measure of the internal self-consistency of the flux measurements.

Ritter, John A.↗
NASA NTRSDate not supplied

Developing Mars-Based Clinical Scenarios for an Earth Independent Medical Operations (EIMO) – Based Decision Support Service

As crewed missions move beyond Low-Earth Orbit, pre-mission planning cannot fully buy down the medical risks of exploration-class missions. Martian missions, where increased hazards exist, (such as long-duration spaceflight, surface-level EVA operations, and communications delays) will require a paradigm shift in the structure of a medical system. An Earth-Independent Medical Operations-based Medical System (EIMO-MS) will need to optimize four critical domains to help provide medical care: utilization of Pre-Mission Planning, augmentation of Acute and Prolonged Medical Decision Making, automated tracking of Resource Management, and assistance in Task Load Balance. The ideal EIMO-MS will be able to accomplish this goal by having an interactive, adaptable interface that will be able to provide real-time medical services. It must respond based on the level of crewmember training, medical situation, and available medical and non-medical resources. To showcase the capabilities and requirements of such a sophisticated automated MS, a series of clinical scenarios of escalating complexity were developed with clinical and systems engineering input. These scenarios describe in clinical detail what a theoretical future medical system, enhanced with multiple information streams (such as a medical database, an AI-based Decision Support System, real-time monitoring, enhanced in-situ laboratory imaging, etc.) can achieve in conjunction with a trained and experienced crew. Scenarios are comprised of: a context section including objectives and applicable spaceflight environment, a highlighted assumptions section, a clinical narrative section, and a systems engineering activity diagram demonstrating the integrated Medical System (MS). The “swim lanes” of the activity diagram act as the logistical core of each scenario and show how the MS will interact with the crew, ground support, and other in-flight systems. The Design Reference Mission that is used for the scenarios is based on existing reference mission profiles [1] with a projected 30-sol stay on the Martian surface. Scenarios span the spectrum from planned evaluations, minor medical care, urgent care, surgical guidance, critical and expectant management, and behavioral health care. Mission complexity will exponentially increase during deep space and Mars exploration-class missions, and medical support for these missions will likewise need to increase in autonomy and adaptability. The integrated system that will support these missions will need to provide assistance in a variety of anticipated and unforeseen scenarios. These medical scenarios, guided by clinician input, are initial steps in crafting the requirements for an EIMO-based medical system. By working in a systems engineering framework, requirements and capabilities can be extracted and mapped while maintaining a clinical core.

Prashant Parmar↗
NASA NTRS1989

The reduction correction in North America

An inverse Poisson integral technique was used to determine a gravity field on the geoid which, when continued by analytic free space methods to the topographic surface, agrees with the observed field. The computation is performed in three stages, each stage refining the previous solution using data at progressively increasing resolution (1 x 1 deg, 5 x 5', 5/8 x 5/8') from a decreasing area of integration. Reduction corrections are computed at 5/8 x 5/8' granularity by differencing the geoidal and surface values, smoothed by low-pass filtering and sub-sampled at 5' intervals. The 1 x 1 deg averages of the reduction corrections thus obtained for 172 1 x 1 deg squares in western North America are discussed. The 1 x 1 deg mean reduction corrections are predominantly positive, varying from -3 to +15 mgal, with values in excess of 5 mgal for 26 squares. Their mean and rms values are +2.4 and 3.6 mgal respectively and they correlate well with the mean terrain corrections. The mean and rms contributions from the three stages of computation are: 1 x 1 deg stage +0.15 and 0.7 mgal; 5 x 5' stage + 1.0 and 1.6 mgal; and 5/8 x 5/8' stage +1.3 and 1.8 mgal. These results reflect a tendency for the contributions to become larger and more systematically positive as the wavelengths involved become shorter. The results are discussed in terms of two mechanisms; the first is a tendency for the absolute values of both positive and negative anomalies to become larger when continued downwards and, the second, a non-linear rectification, due to the correlation between gravity anomaly and topographic height, which results in the values continued to a level surface being systematically more positive than those on the topography.

Martzen, P. D.↗
DOE OSTI2022

Single‐Crystal LiNi x Mn y Co 1− x − y O 2 Cathodes for Extreme Fast Charging

Abstract Ni‐rich layered LiNi x Mn y Co 1− x − y O 2 (NMCs, x ≥ 0.8) are poised to be the dominating cathode materials for lithium‐ion batteries for the foreseeable future. Conventional polycrystalline NMCs, however, suffer from severe cracking along the grain boundaries of primary particles and capacity loss under high charge and/or discharge rates, hindering their implementation in fast‐charging electric vehicular (EV) batteries. Single‐crystal (SC) NMCs are attractive alternatives as they eliminate intergranular cracking and allow for grain‐level surface optimization for fast Li transport. In the present study, the authors report synthetic approaches to produce SC LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NMC811) samples with different morphologies: Oct‐SC811 with predominating (012)‐family surface and Poly‐SC811 with predominating (104)‐family surface. Poly‐SC811, representing the first experimentally synthesized NMC811 single crystals with (104) surface, delivers superior performance even at the ultra‐high rate of 6 C. Through detailed X‐ray analysis and electron microscopy characterization, it is shown that the enhanced performance originates from better chemical and structural stabilities, faster Li + diffusion kinetics, suppressed side reactions with electrolyte, and excellent cracking resistance. These insights provide important design guidelines in the future development of fast‐charging NMC‐type cathode materials.

Lu, Yanying↗
DOE OSTI2021

Investigation of the Production of Trifluoroacetic Acid from Two Halocarbons, HFC-134a and HFO-1234yf and Its Fates Using a Global Three-Dimensional Chemical Transport Model

Trifluoroacetic acid (TFA), a highly soluble and stable organic acid, is photochemically produced by certain anthropogenically emitted halocarbons such as HFC-134a and HFO-1234yf. Both these halocarbons are used as refrigerants in the automobile industry, and the high global warming potential of HFC-134a has promoted regulation of its use. Industries are transitioning to the use of HFO-1234yf as a more environmentally friendly alternative. In this work, we investigated the environmental effects of this change and found a 33-fold increase in the global burden of TFA from an annual value of 65 tonnes formed from the 2015 emissions of HFC-134a to a value of 2220 tonnes formed from an equivalent emission of HFO-1234yf. The percentage increase in surface TFA concentrations resulting from the switch from HFC-134a to HFO-1234yf remains substantial with an increase of up to 250-fold across Europe. The increase in emissions greater than the current emission scenario of HFO-1234yf is likely to result in significant TFA burden as the atmosphere is not able to disperse and deposit relevant oxidation products. The Criegee intermediate initiated loss process of TFA reduces the surface level atmospheric lifetime of TFA by up to 5 days (from 7 days to 2 days) in tropical forested regions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Global Simulations of Phase State and Equilibration Time Scales of Secondary Organic Aerosols with GEOS-Chem

The phase state of secondary organic aerosols (SOA) can range from liquid through amorphous semisolid to glassy solid, which is important to consider as it influences various multiphase processes including SOA formation and partitioning, multiphase chemistry, and cloud activation. In this study, we simulate the glass transition temperature and viscosity of SOA over the globe using the global chemical transport model, GEOS-Chem. The simulated spatial distributions show that SOA at the surface exist as liquid over equatorial regions and oceans, semisolid in the midlatitude continental regions, and glassy solid over lands with low relative humidity. The predicted SOA viscosities are mostly consistent with the available measurements. In the free troposphere, SOA particles are mostly predicted to be semisolid at 850 hPa and glassy solid at 500 hPa, except over tropical regions including Amazonia, where SOA are predicted to be low viscous. Phase state also exhibits seasonal variation with a higher frequency of semisolid and solid particles in winter compared to warmer seasons. We calculate equilibration time scales of SOA partitioning (τ eq ) and effective mass accommodation coefficient (α eff ), indicating that τ eq is shorter than the chemical time step of GEOS-Chem of 20 min and αeff is close to unity for most locations at the surface level, supporting the application of equilibrium SOA partitioning. However, τ eq is prolonged and α eff is lowered over drylands and most regions in the upper troposphere, suggesting that kinetically limited growth would need to be considered for these regions in future large-scale model studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

TROPOMI NO 2 in the United States: A Detailed Look at the Annual Averages, Weekly Cycles, Effects of Temperature, and Correlation With Surface NO 2 Concentrations

Abstract Observing the spatial heterogeneities of NO 2 air pollution is an important first step in quantifying NO X emissions and exposures. This study investigates the capabilities of the Tropospheric Monitoring Instrument (TROPOMI) in observing the spatial and temporal patterns of NO 2 pollution in the continental United States. The unprecedented sensitivity of the sensor can differentiate the fine‐scale spatial heterogeneities in urban areas, such as emissions related to airport/shipping operations and high traffic, and the relatively small emission sources in rural areas, such as power plants and mining operations. We then examine NO 2 columns by day‐of‐the‐week and find that Saturday and Sunday concentrations are 16% and 24% lower respectively, than during weekdays. We also analyze the correlation of daily maximum 2‐m temperatures and NO 2 column amounts and find that NO 2 is larger on the hottest days (>32°C) as compared to warm days (26°C–32°C), which is in contrast to a general decrease in NO 2 with increasing temperature at moderate temperatures. Finally, we demonstrate that a linear regression fit of 2019 annual TROPOMI NO 2 data to annual surface‐level concentrations yields relatively strong correlation ( R 2 = 0.66). These new developments make TROPOMI NO 2 satellite data advantageous for policymakers and public health officials, who request information at high spatial resolution and short timescales, in order to assess, devise, and evaluate regulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Bridging molecular-scale interfacial science with continuum-scale models

Solid–water interfaces are crucial for clean water, conventional and renewable energy, and effective nuclear waste management. However, reflecting the complexity of reactive interfaces in continuum-scale models is a challenge, leading to oversimplified representations that often fail to predict real-world behavior. This is because these models use fixed parameters derived by averaging across a wide physicochemical range observed at the molecular scale. Recent studies have revealed the stochastic nature of molecular-level surface sites that define a variety of reaction mechanisms, rates, and products even across a single surface. To bridge the molecular knowledge and predictive continuum-scale models, we propose to represent surface properties with probability distributions rather than with discrete constant values derived by averaging across a heterogeneous surface. This conceptual shift in continuum-scale modeling requires exponentially rising computational power. By incorporating our molecular-scale understanding of solid–water interfaces into continuum-scale models we can pave the way for next generation critical technologies and novel environmental solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗