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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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DOE OSTI2021

Relativistic Configuration-Interaction and Perturbation Theory Calculations of the Sn XV Emission Spectrum

Recently, there has been increased interest in developing advanced bright sources for lithography. Sn ions are particularly promising due to their bright emission spectrum in the required wavelength range. Cowan’s code has been used to model the emission; however, it has adjustable parameters, which limit its predictive power, and it has limited relativistic treatment. Here, we present calculations based on ab initio relativistic configuration-interaction many-body perturbation theory (CI-MBPT), with relativistic corrections included at the Dirac-Fock level and core-polarization effects with the second-order MBPT. As a proof of principle that the theory is generally applicable to other Sn ions with proper development, we focused on one ion where direct comparison with experimental observations is possible. The theory can also be used for ions of other elements to predict emissions for optimization of plasma-based bright sources.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Analysis of secondary organic aerosol simulation bias in the Community Earth System Model (CESM2.1)

Organic aerosol (OA) has been considered as one of the most important uncertainties in climate modeling due to the complexity in presenting its chemical production and depletion mechanisms. To better understand the capability of climate models and probe into the associated uncertainties in simulating OA, we evaluate the Community Earth System Model version 2.1 (CESM2.1) configured with the Community Atmosphere Model version 6 (CAM6) with comprehensive tropospheric and stratospheric chemistry representation (CAM6-Chem) through a long-term simulation (1988–2019) with observations collected from multiple datasets in the United States. We find that CESM generally reproduces the interannual variation and seasonal cycle of OA mass concentration at surface layer with a correlation of 0.40 compared to ground observations and systematically overestimates (69%) in summer and underestimates (-19%) in winter. Through a series of sensitivity simulations, we reveal that modeling bias is primarily related to the dominant fraction of monoterpene-formed secondary organic aerosol (SOA), and a strong positive correlation of 0.67 is found between monoterpene emission and modeling bias in the eastern US during summer. In terms of vertical profile, the model prominently underestimates OA and monoterpene concentrations by 37%–99% and 82%–99%, respectively, in the upper air (>500 m) as validated against aircraft observations. Our study suggests that the current volatility basis set (VBS) scheme applied in CESM might be parameterized with monoterpene SOA yields that are too high, which subsequently results in strong SOA production near the emission source area. We also find that the model has difficulty in reproducing the decreasing trend of surface OA in the southeastern US probably because of employing pure gas VBS to represent isoprene SOA which is in reality mainly formed through multiphase chemistry; thus, the influence of aerosol acidity and sulfate particle change on isoprene SOA formation has not been fully considered in the model. This study reveals the urgent need to improve the SOA modeling in climate models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Robustness of the Galactic Center excess morphology against masking

The Galactic Center excess (GCE) remains an enduring mystery, with leading explanations being annihilating dark matter or an unresolved population of millisecond pulsars. Analyzing the morphology of the GCE provides critical clues to identify its exact origin. We investigate the robustness of the inferred GCE morphology against the effects of masking, an important step in the analysis where the gamma-ray emission from point sources and the galactic disk are excluded. Using different masks constructed from Fermi point source catalogs and a wavelet method, we find that the GCE morphology, particularly its ellipticity and cuspiness, is relatively independent of the choice of mask for energies above 2–3 GeV. The GCE morphology systematically favors an approximately spherical shape, as expected for dark matter annihilation. Compared to various stellar bulge profiles, a spherical dark matter annihilation profile better fits the data across different masks and galactic diffuse emission backgrounds, except for the stellar bulge profile which provides a similar fit to the data. Modeling the GCE with two components, one from dark matter annihilation and one tracing the Coleman bulge, we find this two-component model outperforms any single component or combinations of dark matter annihilation and other stellar bulge profiles. Uncertainty remains about the exact fraction contributed by each component across different background models and masks. Furthermore, when the Coleman bulge dominates, its corresponding spectrum lacks characteristics typically associated with millisecond pulsars, suggesting that it mostly models the emission from other sources instead of the GCE that is still present and spherically symmetric.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Modeling Needs to Support the Reconstruction Strategy of Ukraine

Ukraine has been facing difficult times. Russia started a full-scale invasion on February 24, 2022, and has caused huge human and infrastructure losses. As a result of the invasion, more than 8 million people left their homes. The Russian army has targeted Ukrainian energy sources, destroying or damaging over 50% of thermal power generation capacity (coal and gas), 30% of solar generation, and 90% of wind generation. The Russians are also threatening Ukrainian energy security, as they currently control the Zaporizhzhia nuclear power plant – Europe’s largest. In addition, Russia has destroyed 121,000 buildings, including 5,300 multistory buildings - more buildings than Ukraine built during the past five years. The occupiers destroyed or damaged 343 district heat boiler stations (destroyed 12 / damaged 331) and 8 CHPs (destroyed 4/ damaged 4). There is no doubt that Ukraine will be able to protect its sovereignty and restore its territorial integrity; however, this will be a long process. The Government of Ukraine needs to simultaneously focus on many issues, from waging war to the restoration of electricity, water, and heat supply in the territories close to the front line. In addition to these time-sensitive issues, the government also needs to plan a long term multi-sector strategy for the reconstruction of Ukraine’s economy. Ukraine initiated a broad-based political process for recovery at the International Ukraine Recovery Conference (URC 2022) in Lugano, Switzerland. Prior to URC 2022, Ukraine applied for EU membership on February 28 and was granted the status of candidate country by the European Council on June 23, 2022. More than 40 nations are fully committed to supporting Ukraine throughout its path from early to long-term recovery. In addition, these countries link a successful recovery to Ukraine’s European future (URC, 2022a). The reconstruction process will be long. The government also recognizes that it is not enough to build energy infrastructure back – it should be built back better. The government is committed to building a more sustainable and cleaner energy sector. Energy modeling can provide important insights into paths to decarbonize Ukraine’s economy while rebuilding it after the war. Pacific Northwest National Laboratory (PNNL) and the Institute for Economics and Forecasting of the National Academy of Sciences of Ukraine (IEF) work on modeling decarbonization scenarios in the energy sector of Ukraine. The teams focus on the heat sector, which includes district heat, autonomous and individual heating, and energy consumption by final energy consumption sectors, including buildings. Since the teams use world-class integrated assessment models, other sectors will be analyzed as well. The purpose of the document is to describe the needs of key Ukrainian ministries in modeling the reconstruction process. The scope of this document is limited to modeling energy consumption by the power and heat sectors, final energy consumption by buildings, and GHG emissions from these two sectors. The rest of this policy memo is organized as follows. After this introduction, Chapter 2 discusses key provisions of the reconstruction strategy with a focus on energy, buildings, heat supply, environment, and European integration aspirations. Section 3 provides an overview of recent developments and key decisions of the Government of Ukraine in the area of energy efficiency and decarbonization. Finally, Section 4 provides key suggestions on how PNNL and IEF can help the Government of Ukraine in developing strategic documents.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Historical Emissions - shipping emission perturbation data

Version of previously released anthropogenic SO2 emissions data re-generated with altered spatial distributions for shipping emissions for use in the Emissions-MIP model inter-comparison project. Also included are 30% and 60% global reductions in shipping SO2 emissions.

Ahsan, Hamza↗
DOE OSTI2025

Towards modelling AR Sco: calibration – reproducing high-energy pulsar emission and testing convergence to Aristotelian electrodynamics

In recent years, kinetic simulations have been crucial to further our understanding of pulsar electrodynamics. Yet, due to the large-scale separation between the gyro-period and the stellar rotation period, resolving the particle gyration has been computationally unfeasible for realistic pulsar parameters. The main aim of this work is comparing our gyro-phase-resolved model with a gyro-centric pulsar model, where our model solves the general equations of motion with included radiation reaction using a higher order numerical solver with adaptive time-steps. Specifically, we aim to (i) reproduce a pulsar’s high-energy emission maps, namely one with 10 per cent of the surface B-field strength of Vela, and the spectra produced by an independent gyro-centric pulsar emission model; and (ii) test convergence of these results to the radiation-reaction limit of Aristotelian electrodynamics. (iii) Additionally, we identify the effect that a large $E_{\parallel }$-field has on the trajectories and radiation calculations. We find that we can reproduce the curvature radiation emission maps and spectra well, using 10 per cent field strengths of the Vela pulsar and injecting our particles at a higher altitude in the magnetosphere. Using sufficiently large $E_{\parallel }$-fields, our numeric results converge to the analytic radiation-reaction limit trajectories. Additionally, we illustrate the importance of accounting for the $\mathbf {E}\times \mathbf {B}$-drift in the particle trajectories and radiation calculations, validating the Harding and collaborators’ model approach. Lastly, we found that our model deals very well with the high-radiation-reaction and high-field regimes present in pulsars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Methane Emissions Produced by Pneumatic Devices and Produced Water Tanks on Natural Gas Wellsites

In recent years, more scrutiny has been placed on the release of greenhouse gasses (GHGs) by the oil and gas industry in North America as climate concerns increase. In the coming years, stricter regulations proposed by the Environmental Protection Agency (EPA) concerning the release of GHGs will further direct attention to GHG emissions quantification, modeling, and overall reduction. Active natural gas wellsites employ production equipment that routinely emits methane during normal operation. Production equipment often includes, but is not limited to, gas production units (GPUs), pneumatic controllers (PCs) and actuators powered by produced natural gas, and produced water storage tanks. This work details direct methane emission measurements taken at active natural gas wellsites originating from intermittent pneumatic controllers and produced water storage tanks. Efforts to model methane flows originating from these sources are also detailed, and those results are compared to direct measurement. The direct methane emissions measurement campaign collected flow data from two active dry wellsites in the Marcellus shale region. These measurement campaigns captured, in total, several weeks of continuous data from these sites. Data included multiple pneumatic device vent flowrate channels, a single channel monitoring total emissions vented from the produced water storage tanks, and corresponding site weather data. Periodic composition measurements were taken from flows vented from produced water tanks. Computational modeling efforts attempted to mimic a given site’s methane emissions behavior given limited input parameters. Direct measurement data and simulation data yielded, through reduction and analysis, apparent methane emissions factors, statistics on pneumatic device actuation events, important relationships between GPU parameters and pneumatic device actuation events, produced water storage tank vent flows and flow compositions, and parameters most contributing to the magnitude and frequency of these fugitive methane emissions. Measurements, considering data from a 72hr period, produced PC emissions factors from 0.008 to 0.03 SCFH per device with an average device emitting 0.026 SCFH at the first site. The second site produced PC emissions factors spanning from 0.05 to 25.47 SCFH with an average device emitting 1.93 SCFH not including the 25.47 SCFH device, which was assumed to be malfunctioning. Two unique water tank emission measurements were made, 618 g CH4 per hour and 32.6 g CH4 per hour. On a water basis, the water tank emissions factors were 0.66 and 0.042 kg CH4 per bbl of water, respectively.

03 NATURAL GAS↗
DOE OSTI2020

Constructing a spatiotemporally coherent long-term PM2.5 concentration dataset over China during 1980–2019 using a machine learning approach

The lack of long-term observations and satellite retrievals of health-damaging fine particulate matter in China has demanded the estimates of historical PM 2.5 (particulate matter less than 2.5 µm in diameter) concentrations. This study constructs a gridded near-surface PM 2.5 concentration dataset across China covering 1980–2019 using the space-time random forest model with atmospheric visibility observations and other auxiliary data. The modeled daily PM2.5 concentrations are in excellent agreement with ground measurements during 2015–2019, with a coefficient of determination of 0.95 and mean relative error of 12%. Besides the atmospheric visibility which explains 30% of total importance of variables in the model, both emissions and meteorological conditions are also essential factors affecting PM2.5 predictions. From 1980 to 2014, the model-predicted PM2.5 concentrations increased constantly with the maximum growth rate of 5–10 µg/m3/decade over eastern China. Due to the clean air actions, PM 2.5 concentrations have decreased effectively at a rate over 50 µg/m 3 /decade in the North China Plain and 20–50 µg/m 3 /decade over eastern China during 2014–2019. The newly generated dataset of 1-degree gridded PM 2.5 concentrations for the past 40 years across China provides a useful means for investigating interannual and decadal environmental and climate impacts related to aerosols.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

2022 LANL Radionuclide Air Emissions Report (Rev. 2)

This report describes the emissions of airborne radionuclides from operations at Los Alamos National Laboratory (LANL) for calendar year 2022 and the resulting off-site dose from these emissions. This document fulfills the requirements established by the National Emissions Standards for Hazardous Air Pollutants in 40 CFR 61, Subpart H – Emissions of Radionuclides other than Radon from Department of Energy Facilities, commonly referred to as the Radionuclide NESHAP or Rad-NESHAP. Compliance with this regulation and preparation of this document is the responsibility of LANL’s Rad NESHAP compliance program, which is part of the Environmental Protection and Compliance (EPC) Division. The information in this report is required under the Clean Air Act and is being submitted to the U.S. Environmental Protection Agency (EPA) Headquarters and EPA Region 6. The highest effective dose equivalent (EDE) to an off-site member of the public was calculated using procedures specified by the EPA and described in this report. LANL’s EDE was 0.45 for 2022. The annual limit is 10 millirem per year, established by the EPA in 40 CFR 61 Subpart H. All measured air emissions are modeled to a single location, known as the Maximally Exposed Individual (MEI). During calendar year 2022, LANL continuously monitored radionuclide emissions at 27 “major” release points, or stacks. The Laboratory estimates emissions from an additional 34 “minor” release points using radionuclide usage source terms in lieu of stack monitoring. Also, LANL uses an EPA approved network of air samplers around the Laboratory perimeter to monitor ambient airborne levels of radionuclides. To provide data for dispersion modeling and dose assessment, LANL maintains and operates several meteorological monitoring towers. From these various systems, a comprehensive evaluation is conducted to calculate the MEI dose for the Laboratory. The MEI can be any member of the public at any off-site location where there is a residence, school, business, or office. In 2022, this MEI location was a business at 95 Entrada Drive, located in the eastern end of Los Alamos town site. The primary contributors to the off-site dose at this location are the ambient air data at that location combined with radioactive gas emissions from the LANSCE facility and the collected potential emissions from unmonitored (minor) sources. Overall, the MEI dose in 2022 is similar to that which has been observed in recent years, and it remains well below the EPA’s 10 millirem per year limit. Doses reported to the EPA for the past 10 years are shown in Table E1.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Notice of Submittal – 2023 Radionuclide Air Emissions Report for Los Alamos National Laboratory

This report describes the emissions of airborne radionuclides from operations at Los Alamos National Laboratory (LANL) for calendar year 2023 and the resulting off-site dose from these emissions. This document fulfills the requirements established by the National Emissions Standards for Hazardous Air Pollutants in 40 CFR 61, Subpart H – Emissions of Radionuclides other than Radon from Department of Energy Facilities, commonly referred to as the Radionuclide NESHAP or Rad-NESHAP. Compliance with this regulation and preparation of this document is the responsibility of LANL’s Rad NESHAP compliance program, which is part of the Environmental Protection and Compliance (EPC) Division. The information in this report is required under the Clean Air Act and is being submitted to the U.S. Environmental Protection Agency (EPA) Headquarters and EPA Region 6. The highest effective dose equivalent (EDE) to an off-site member of the public was calculated using procedures specified by the EPA and described in this report. LANL’s EDE was 0.43 for 2023. The annual limit is 10 millirem per year, established by the EPA in 40 CFR 61 Subpart H. All measured air emissions are modeled to a single location, known as the Maximally Exposed Individual (MEI). During calendar year 2023, LANL continuously monitored radionuclide emissions at 28 “major” release points, or stacks. The Laboratory estimates emissions from an additional 59 “minor” release points using radionuclide usage source terms in lieu of stack monitoring. Also, LANL uses an EPA approved network of air samplers around the Laboratory perimeter to monitor ambient airborne levels of radionuclides. To provide data for dispersion modeling and dose assessment, LANL maintains and operates several meteorological monitoring towers. From these various systems, a comprehensive evaluation is conducted to calculate the MEI dose for the Laboratory. The MEI can be any member of the public at any off-site location where there is a residence, school, business, or office. In 2023, this MEI location was a business at 129 New Mexico State Road 4 (NM-4), located in the northern end of White Rock. The primary contributors to the off-site dose at this location are the ambient air data at that location combined with the collected potential emissions from unmonitored (minor) sources. Overall, the MEI dose in 2023 is similar to that which has been observed in recent years, and it remains well below the EPA’s 10 millirem per year limit. Doses reported to the EPA for the past 10 years are shown in Table E1.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

AIMD‐Based Protocols for Modeling Exciplex Fluorescence Spectra and Inter‐System Crossing in Photocatalytic Chromophores

ABSTRACT This study introduces a computational protocol for modeling the emission spectra of exciplexes using excited‐state ab initio molecular dynamics (AIMD) simulations. The protocol is applied to a model exciplex formed by oligo‐p‐phenylenes (OPPs) and triethylamine (TEA), which is of interest in the context of photocatalytic reduction of . AIMD facilitates efficient sampling of the conformational space of OPP3 and OPP4 exciplexes with TEA, offering a dynamic alternative to previously employed static methods. The AIMD‐based protocol successfully reproduces experimental emission spectra for OPP‐TEA exciplexes, agreeing with previous computational and experimental findings. The results show that AIMD simulations provide an efficient means of sampling the conformational space of these exciplexes, requiring less user input and, in some instances, fewer computational resources than multiple excited‐state optimizations initiated from user‐specified initial structures. The study also evaluates the yield of intersystem crossing (ISC) using AIMD and Landau‐Zener probability. The results suggest that ISC is a minor decay channel for OPP3 and OPP4. This work provides new insights into the structural flexibility and emission characteristics of OPP‐TEA photoredox catalyst systems, potentially contributing to improved design strategies for organic chromophores in reduction applications.

Giudetti, Goran [Department of Chemistry Universit↗
DOE OSTI2023

Stellar Neutrino Emission across the Mass–Metallicity Plane

We explore neutrino emission from nonrotating, single-star models across six initial metallicities and 70 initial masses from the zero-age main sequence to the final fate. Overall, across the mass spectrum, we find metal-poor stellar models tend to have denser, hotter, and more massive cores with lower envelope opacities, larger surface luminosities, and larger effective temperatures than their metal-rich counterparts. Across the mass–metallicity plane we identify the sequence (initial CNO → 14 N → 22 Ne → 25 Mg → 26 Al → 26 Mg → 30 P → 30 Si) as making primary contributions to the neutrino luminosity at different phases of evolution. For the low-mass models we find neutrino emission from the nitrogen flash and thermal pulse phases of evolution depend strongly on the initial metallicity. For the high-mass models, neutrino emission at He-core ignition and He-shell burning depends strongly on the initial metallicity. Antineutrino emission during C, Ne, and O burning shows a strong metallicity dependence with 22 Ne(α, n) 25 Mg providing much of the neutron excess available for inverse-β decays. We integrate the stellar tracks over an initial mass function and time to investigate the neutrino emission from a simple stellar population. We find average neutrino emission from simple stellar populations to be 0.5–1.2 MeV electron neutrinos. Lower metallicity stellar populations produce slightly larger neutrino luminosities and average β decay energies. This study can provide targets for neutrino detectors from individual stars and stellar populations. We provide convenient fitting formulae and open access to the photon and neutrino tracks for more sophisticated population synthesis models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Biomass-burning smoke's properties and its interactions with marine stratocumulus clouds in WRF-CAM5 and southeastern Atlantic field campaigns

Abstract. A large part of the uncertainty in climate projections comes from uncertain aerosol properties and aerosol–cloud interactions as well as the difficulty in remotely sensing them. The southeastern Atlantic functions as a natural laboratory to study biomass-burning smoke and to constrain this uncertainty. We address these gaps by comparing the Weather Research and Forecasting with Chemistry Community Atmosphere Model (WRF-CAM5) to the multi-campaign observations ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS), CLARIFY (CLoud–Aerosol–Radiation Interaction and Forcing), and LASIC (Layered Atlantic Smoke Interactions with Clouds) in the southeastern Atlantic in August 2017 to evaluate a large range of the model's aerosol chemical properties, size distributions, processes, and transport, as well as aerosol–cloud interactions. Overall, while WRF-CAM5 is able to represent smoke properties and transport, some key discrepancies highlight the need for further analysis. Observations of smoke composition show an overall decrease in aerosol mean diameter as smoke ages over 4–12 d, while the model lacks this trend. A decrease in the mass ratio of organic aerosol (OA) to black carbon (BC), OA:BC, and the OA mass to carbon monoxide (CO) mixing ratio, OA:CO, suggests that the model is missing processes that selectively remove OA from the particle phase, such as photolysis and heterogeneous aerosol chemistry. A large (factor of ∼2.5) enhancement in sulfate from the free troposphere (FT) to the boundary layer (BL) in observations is not present in the model, pointing to the importance of properly representing secondary sulfate aerosol formation from marine dimethyl sulfide and gaseous SO2 smoke emissions. The model shows a persistent overprediction of aerosols in the marine boundary layer (MBL), especially for clean conditions, which multiple pieces of evidence link to weaker aerosol removal in the modeled MBL than reality. This evidence includes several model features, such as not representing observed shifts towards smaller aerosol diameters, inaccurate concentration ratios of carbon monoxide and black carbon, underprediction of heavy rain events, and little evidence of persistent biases in modeled entrainment. The average below-cloud aerosol activation fraction (NCLD/NAER) remains relatively constant in WRF-CAM5 between field campaigns (∼0.65), while it decreases substantially in observations from ORACLES (∼0.78) to CLARIFY (∼0.5), which could be due to the model misrepresentation of clean aerosol conditions. WRF-CAM5 also overshoots an observed upper limit on liquid cloud droplet concentration around NCLD= 400–500 cm−3 and overpredicts the spread in NCLD. This could be related to the model often drastically overestimating the strength of boundary layer vertical turbulence by up to a factor of 10. We expect these results to motivate similar evaluations of other modeling systems and promote model development to reduce critical uncertainties in climate simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

The HTAP_v3.2 emission mosaic: merging regional and global monthly emissions (2000–2020) to support air quality modelling and policies

This study, performed under the umbrella of the Task Force on Hemispheric Transport of Air Pollution (TF-HTAP), responds to the need of the global and regional atmospheric modelling community of having a mosaic emission inventory of air pollutants that conforms to specific requirements: global coverage, long time series, spatially distributed emissions with high time resolution, and a high sectoral resolution. The mosaic approach of integrating official regional emission inventories based on locally reported data, with a global inventory based on a globally consistent methodology, allows modellers to perform simulations of a high scientific quality while also ensuring that the results remain relevant to policymakers. HTAP_v3.2, an ad-hoc global mosaic of anthropogenic inventories, is an update to the HTAP_v3 global mosaic inventory and has been developed by integrating official inventories over specific areas (North America, Europe, Asia including China, Japan and Korea) with the independent Emissions Database for Global Atmospheric Research (EDGAR) inventory for the remaining world regions. The results are spatially and temporally distributed emissions of SO 2 , NO x , CO, NMVOC, NH 3 , PM 10 , PM 2.5 , Black Carbon (BC), and Organic Carbon (OC), with a spatial resolution of 0.1 × 0.1° and time intervals of months and years covering the period 2000–2020 (https://doi.org/10.5281/zenodo.17086684, Crippa, 2025, https://edgar.jrc.ec.europa.eu/dataset_htap_v32, last access: 27 October 2025). The emissions are further disaggregated to 16 anthropogenic emitting sectors. This paper describes the methodology applied to develop such an emission mosaic, reports on source allocation, differences among existing inventories, and best practices for the mosaic compilation. One of the key strengths of the HTAP_v3.2 emission mosaic is its temporal coverage, enabling the analysis of emission trends over the past two decades. The development of a global emission mosaic over such long time series represents a unique product for global air quality modelling and for better-informed policy making, reflecting the community effort expended by the TF-HTAP to disentangle the complexity of transboundary transport of air pollution.

Guizzardi, Diego [European Commission, Ispra (Ital↗
DOE OSTI2024

Enhancing Air Quality Forecasts with AP4 Model Updates

This poster was presented at the American Geophysical Union (AGU) 2024 Fall Conference. The poster describes the latest developments through collaboration with Carnegie Mellon University on point-source emissions impact modeling using the latest high-resolution reduced-form air pollution model, AP4.

Nguyen, Thuy [Carnegie Mellon University (CMU)]↗
DOE OSTI2022

Low-Carbon District Heating: Performance Modeling of Hybrid Solar, Heat Pump, and Thermal Storage Systems for District Thermal Energy in the United States

District heating requires thermal energy in the temperature range of 40 degrees C - 120 degrees C. Typically, the thermal energy input for these systems has largely been met through fossil energy. However, the temperature range is low enough that it presents an opportunity for low-carbon technologies such as solar thermal and electrified thermal generators like heat pumps to decarbonize the heat generation. In this paper, a heat pump model was applied to estimate the performance and economics of a real-world low-carbon district heating substation. This system is comprised of a flat plate solar collector field paired with a mechanical vapor compression heat pump and hot water thermal storage, augmented by gas-fired boilers. Plant data was used to tune the model and estimate the system's benefits in terms of both standard financial metrics (IRR and payback), and environmental metrics, including avoided CO2 emissions. The model is subsequently employed to estimate the technical and economic potential of solar + heat pump + ther-mal storage hybrid systems as retrofits for district heating systems in eight US Markets.

district heating↗
DOE OSTI2024

Global anthropogenic emissions (CAMS-GLOB-ANT) for the Copernicus Atmosphere Monitoring Service simulations of air quality forecasts and reanalyses

Anthropogenic emissions are the result of many different economic sectors, including transportation, power generation, industrial, residential and commercial activities, waste treatment and agricultural practices. Air quality models are used to forecast the atmospheric composition, analyze observations and reconstruct the chemical composition of the atmosphere during the previous decades. In order to drive these models, gridded emissions of all compounds need to be provided. This paper describes a new global inventory of emissions called CAMS-GLOB-ANT, developed as part of the Copernicus Atmosphere Monitoring Service (CAMS; https://doi.org/10.24380/eets-qd81, Soulie et al., 2023). The inventory provides monthly averages of the global emissions of 36 compounds, including the main air pollutants and greenhouse gases, at a spatial resolution of 0.1° × 0.1° in latitude and longitude, for 17 emission sectors. The methodology to generate the emissions for the 2000–2023 period is explained, and the datasets are analyzed and compared with publicly available global and regional inventories for selected world regions. Depending on the species and regions, good agreements as well as significant differences are highlighted, which can be further explained through an analysis of different sectors as shown in the figures in the Supplement.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Mitigation of Acute Ammonia Emissions With Biochar During Swine Manure Agitation Before Pump-Out: Proof-of-the-Concept

Ammonia (NH 3 ) emissions from animal agriculture can cause eutrophication of water ecosystems and are precursors to secondary particulate matter (PM 2 .5 ). NH 3 emissions from stored swine manure represent nutrient loss affecting the fertilizing value of manure. The short-term emission bursts occur when farmers agitate manure before emptying storage and fertilizing fields. There is no proven technology to mitigate gaseous emissions during agitation, while the hazards of acute releases (e.g., H 2 S) are well-known. Biochar mitigates NH 3 emissions from manure over the long-term. The objective of this research was to evaluate the mitigation of acute NH 3 emissions during/after agitation. Two biochars, highly alkaline and porous (HAP from corn stover) and red oak (RO), were tested. The 6 and 12 mm-thick layers of biochar powder were surficial applied followed by 3 min agitation. NH 3 concentrations were measured before/during/after agitation. Mitigation was assessed by comparing: (i) the maximum (peak) flux, (ii) total emission (from agitation start till NH 3 concentration returned to the before-agitation), and (iii) the total emissions during agitation. The 12 mm HAP significantly ( p < 0.05) reduced (i–iii) by 63, 70, and 85%, respectively. The 6 mm HAP significantly reduced (i–iii) by 76, 75, and 78%, respectively. The 12 mm RO significantly reduced (i–iii) by 9, 53, and 57%, respectively. The 6 mm RO significantly reduced (i–iii) by 61, 86, and 63%, respectively. The NH 3 emission kinetics model confirmed that a 6 mm dose was just as effective as the larger dose. More research is needed to optimize and scale-up mitigating emissions and retention of nutrients in manure with biochar.

Chen, Baitong↗