Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “urbanization”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Building Stock Models for Embodied Carbon Emissions—A Review of a Nascent Field

Building stock modeling emerges as a critical tool in the strategic reduction of embodied carbon emissions, which is pivotal in reshaping the evolving construction sector. This review provides an overall view of modern methodologies in building stock modeling, homing in on the nuances of embodied carbon analysis in construction. Examining 23 seminal papers, our study delineates two primary modeling paradigms—top-down and bottom-up—each further compartmentalized into five innovative methods. This study points out the challenges of data scarcity and computational demands, advocating for methodological advancements that promise to refine the precision of building stock models. A groundbreaking trend in recent research is the incorporation of machine learning algorithms, which have demonstrated remarkable capacity, improving stock classification accuracy by 25% and urban material quantification by 40%. Furthermore, the application of remote sensing has revolutionized data acquisition, enhancing data richness by a factor of five. This review offers a critical examination of current practices and charts a course toward an environmentally prudent future. It underscores the transformative impact of building stock modeling in driving ecological stewardship in the construction industry, positioning it as a cornerstone in the quest for sustainability and its significant contribution toward the grand vision of an eco-efficient built environment.

Hu, Ming (ORCID:0000000325831161)↗
DOE OSTI2022

Predictive Risk Mapping of Schistosomiasis in Madagascar Using Ecological Niche Modeling and Precision Mapping

Schistosomiasis is a neglected tropical disease (NTD) found throughout tropical and subtropical Africa. In Madagascar, the condition is widespread and endemic in 74% of all administrative districts in the country. Despite the significant burden of the disease, high-resolution risk maps have yet to be produced to guide national control programs. This study used an ecological niche modeling (ENM) and precision mapping approach to estimate environmental suitability and disease transmission risk. The results show that suitability for schistosomiasis is widespread and covers 264,781 km 2 (102,232 sq miles). Covariates of significance to the model were the accessibility to cities, distance to water, enhanced vegetation index (EVI), annual mean temperature, land surface temperature (LST), clay content, and annual precipitation. Disease transmission risk is greatest in the central highlands, tropical east coast, arid-southwest, and northwest. An estimated 14.9 million people could be at risk of schistosomiasis; 11.4 million reside in rural areas, while 3.5 million are in urban areas. This study provides valuable insight into the geography of schistosomiasis in Madagascar and its potential risk to human populations. Because of the focal nature of the disease, these maps can inform national surveillance programs while improving understanding of areas in need of medical interventions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Beyond Leakage: Non-Revenue Water Loss and Economic Sustainability

Water loss in urban supply systems poses significant challenges for water utility companies worldwide, affecting both sustainable access to clean water and the financial viability of utility operations. This study analyzes the evolution of water losses in high-level supply systems from 2017 to 2021 in Portugal, focusing on its implications for the profitability of water utility companies across NUTs II regions. Drawing on data from various sources, including the National Information System for Water Resources, PORDATA, ERSAR, and ORBIS, this analysis identifies trends, patterns, and potential factors influencing water loss dynamics. Key components of the analysis include calculating average annual losses, examining unbilled water percentages, and conducting regression analysis to quantify the impact of water loss on profit margins. The findings contribute to the literature on water loss management and financial performance in the water utility sector, offering insights for policymakers, water utility managers, and stakeholders to enhance financial sustainability and reduce water losses.

Santos, Eleonora (ORCID:0000000346930804)↗
DOE OSTI2023

Energy Cost Analysis and Operational Range Prediction Based on Medium- and Heavy-Duty Electric Vehicle Real-World Deployments across the United States

While the market for medium- and heavy-duty battery-electric vehicles (MHD EVs) is still nascent, a growing number of these vehicles are being deployed across the U.S. This study used over 2.3 million miles of operational data from multiple types of MHD EVs across various regions and operating conditions to address knowledge gaps in total cost of ownership and operational range. First, real-world energy cost savings were determined: MHD fleets should experience energy cost savings each year from 2021 to 2035, regardless of vehicle platform, with the greatest savings seen in transit buses (up to USD 4459 annually) and HD trucks (up to USD 3284 annually). Second, to help fleets across various geographies throughout the U.S. assess the suitability of EVs for their year-round operating needs, operational range was modeled using the XGBoost algorithm (R2: 70%) given 22 input features relevant to vehicle efficiency. Finally, this paper recommends (1) that MHD fleets apply energy-saving practices to minimize the impacts of cold temperatures and high congestion levels on vehicle efficiency and range, and (2) that local hauling fleets select trucks with a nominal range nearly double the expected maximum daily range to account for range losses under local, urban driving conditions.

Qiu, Yin (ORCID:0009000900948794)↗
DOE OSTI2020

Biosystems Design to Accelerate C 3 -to-CAM Progression

Global demand for food and bioenergy production has increased rapidly, while the area of arable land has been declining for decades due to damage caused by erosion, pollution, sea level rise, urban development, soil salinization, and water scarcity driven by global climate change. In order to overcome this conflict, there is an urgent need to adapt conventional agriculture to water-limited and hotter conditions with plant crop systems that display higher water-use efficiency (WUE). Crassulacean acid metabolism (CAM) species have substantially higher WUE than species performing C 3 or C 4 photosynthesis. CAM plants are derived from C 3 photosynthesis ancestors. However, it is extremely unlikely that the C 3 or C 4 crop plants would evolve rapidly into CAM photosynthesis without human intervention. Currently, there is growing interest in improving WUE through transferring CAM into C 3 crops. However, engineering a major metabolic plant pathway, like CAM, is challenging and requires a comprehensive deep understanding of the enzymatic reactions and regulatory networks in both C 3 and CAM photosynthesis, as well as overcoming physiometabolic limitations such as diurnal stomatal regulation. Recent advances in CAM evolutionary genomics research, genome editing, and synthetic biology have increased the likelihood of successful acceleration of C 3 -to-CAM progression. Here, we first summarize the systems biology-level understanding of the molecular processes in the CAM pathway. Then, we review the principles of CAM engineering in an evolutionary context. Lastly, we discuss the technical approaches to accelerate the C 3 -to-CAM transition in plants using synthetic biology toolboxes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Potential Impacts of High-Octane Fuel Introduction in a Naturally Aspirated, Port Fuel-Injected Legacy Vehicle

In recent years there has been an increased interest in raising the octane level of gasoline to enable higher compression ratios (CR) in spark-ignition engines to improve vehicle fuel efficiency. A number of studies have examined opportunities to increase efficiency in future vehicles, but potential impacts on the legacy fleet have not received as much attention. In this study, our effort focused on experimental studies on an engine using high-octane fuels without changing the engine’s CR. Spark timing was advanced until maximum torque was reached or knock was encountered for each engine condition, using each individual fuel to maximize engine efficiency. Knock-limited conditions occurred as the output brake mean effective pressure (BMEP) neared the maximum attainable output at a given engine speed. Increasing research octane numbers generally enabled knock-free operation under a greater number of operating conditions. Vehicle modeling using Autonomie was used to project vehicle energy use, fuel economy, and tailpipe CO 2 emissions for the Urban Dynamometer Driving Schedule (UDDS), the Highway Fuel Economy Test (HWFET), and the US06 cycle. Results show that decreases in energy consumption of up to 2% for a small SUV are possible through the use of a 97 RON fuel compared to a baseline using 91 RON fuel, provided that the formulation of the fuel does not cause unanticipated operational issues such as lower maximum BMEP. Greater improvements using high-octane fuels are possible if the CR is increased, but there is no opportunity to increase the CR in legacy vehicles. Thus, these vehicles realize an improvement from increased octane rating in accordance with their ability to spark advance to take advantage of a fuel with a higher octane rating. For the modeled vehicle, improvements of up to 2% in volumetric fuel economy may be possible through the use of a 97 RON fuel with the largest gains expected on the US06 cycle. Fuel economy impacts are strongly coupled to the heating value of the fuels in addition to changes in engine efficiency. Similarly, decreases in tailpipe CO 2 emissions are also achievable. However, simultaneous improvements in energy consumption, fuel economy, and tailpipe CO 2 emissions are not guaranteed and are dependent upon fuel formulation.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Demonstration of Ego Vehicle and System Level Benefits of Eco-Driving on Chassis Dynamometer

Eco-Driving with connected and automated vehicles has shown potential to reduce energy consumption of an individual (i.e., ego) vehicle by up to 15%. In a project funded by ARPA-E, a team led by Southwest Research Institute demonstrated an 8-12% reduction in energy consumption on a 2017 Prius Prime. This was demonstrated in simulation as well as chassis dynamometer testing. The authors presented a simulation study that demonstrated corridor-level energy consumption improvements by about 15%. This study was performed by modeling a six-kilometer-long urban corridor in Columbus, Ohio for traffic simulations. Five powertrain models consisting of two battery electric vehicles (BEVs), a hybrid electric vehicle (HEV), and two internal combustion engine (ICE) powered vehicles were developed. The design of experiment consisted of sweeps for various levels of traffic, penetration of smart vehicles, penetration of technology, and powertrain electrification. The large-scale simulation study consisted of doing approximately 96,000 powertrain simulations. A sophisticated clustering scheme was built and utilized to down select representative traces for each scenario from the simulation study for vehicle testing on a chassis dynamometer. Furthermore, this paper provides a summary of individual ego vehicle testing as well as a comprehensive overview of the method utilized for down selecting representative traces from large scale simulation studies that can be used to quantify corridor level benefits. Vehicle test results along with corresponding analyses are presented.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Deliver Signal Phase and Timing (SPAT) for Energy Optimization of Vehicle Cohort Via Cloud-Computing and LTE Communications

Predictive Signal Phase and Timing (SPAT) message set is one fundamental building block for vehicle-to-infrastructure (V2I) applications such as Eco-Approach and Departure (EAD) at traffic signal controlled urban intersections. Among the two complementary communication methods namely short-range sidelink (PC5) and long-range cellular radio link (Uu), this paper documents the work with long-range link: the complete data chain includes connecting to the traffic signals via existing backhaul communication network, collecting the raw signal phase state data, predicting the signal state changes and delivering the SPAT data via a geofenced service to requests over HTTP protocols. An Application Programming Interface (API) library is developed to support various cellular data transmission reduction and latency improvement techniques. An emulation-based algorithm is applied to predict the traffic signal state changes to provide adequate prediction horizon (e.g., at minimum 2 minutes) for the cohort energy optimization. In fact, the same connectivity and SPAT delivery methodology has been applied to traffic signalized intersections nationwide in the United States upon public agency approvals for access to their firewalled traffic control network and signal control systems or directly to individual controllers. This methodology proves its effectiveness and potential for rapid growth of such SPAT deliveries at mass production scale without needing infrastructure hardware retrofit or excessive communication means. To support the energy optimization of light and heavy-duty vehicle cohorts of mixed automation and propulsion systems (EV, ICE and hybrid), the connection and SPAT deliveries at two sites were completed, including public roads in Washtenaw County, Michigan and closed track test sites at American Center for Mobility (ACM) in Ypsilanti, Michigan. However, only closed test track results at ACM will be presented in this paper. A neuroevolution based optimizer is developed and implemented to control the speed of a vehicle cohort with different propulsion systems and automation levels. Closed track tests showed significant energy savings of the cohort operation.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Conflicts of Greens’ in Renewable Energy Landscapes: Case Studies and a Planning Framework

Reducing greenhouse gas emissions (GHG) through renewable energy deployment is a goal for many cities and nations to mitigate the effects of a rapidly changing climate while securing energy needs. Given national and state level policies on green energy to achieve GHG reduction targets, localities are considering utility-scale renewable energy (USRE) facilities on remote lands, rural areas, oceans, coastal waters and large rivers to meet the energy needs for urban residents and industries. Although these USRE facilities generate much “greener” electricity than fossil fuel power plants, locating them can pose conflicts with wildlife, including endangered, threatened and/or special status species, and the habitats that support wildlife populations (Brunette et al., 2013; Gasparatos et al. 2016; Mulvaney 2017), which lead to a “Conflict of Greens” (Ko et al., 2011). In addition to ecological impacts, conflicts over social and cultural resources in local communities lead to concerns over environmental justice, in this context “energy justice,” where negative environmental, social, and economic impacts of energy projects fall more heavily upon marginalized, vulnerable, or indigenous communities. The Pacific Rim region is a center of major and growing economies, and it has become a battlefield for competing “green” objectives. In addition to progressive renewable energy goals, such as in California, Hawaii, and Taiwan, countries around the Pacific Rim have the majority of the growth in manufacturing of wind and solar energy devices and also some of the highest levels of renewables deployment with China, India, and the US leading the way in wind and solar installations. Developing renewable energy source in the ocean such as offshore wind, tidal, and wave energy, are beginning to add to this mix. Given this challenge, the APRU SCL energy working group provides six case studies that address questions about the “Conflict of Greens” across the Pacific Rim including South Korea, Taiwan, and the United States (California, Hawaii, and Massachusetts). The literature review highlights the emerging ecological, social, and economic aspects of conflicts over siting renewables on the landscape. Using case studies, we examine the trial and errors in least-conflict spatial planning, data collection and analysis, public participation in decision-making, mitigation, social planning for energy transitions, and multi-scalar approaches. Lastly, we recommend interdisciplinary policy, planning, and design actions for sustainable energy landscapes across the Pacific Rim and beyond.

green versus green, renewable energy↗
DOE OSTI2020

Model bias in simulating major chemical components of PM 2.5 in China

High concentrations of PM 2.5 (particulate matter with an aerodynamic diameter less than 2.5 µm) in China have caused severe visibility degradation. Accurate simulations of PM 2.5 and its chemical components are essential for evaluating the effectiveness of pollution control strategies and the health and climate impacts of air pollution. In this study, we compared the GEOS-Chem model simulations with comprehensive datasets for organic aerosol (OA), sulfate, nitrate, and ammonium in China. Model results are evaluated spatially and temporally against observations. The new OA scheme with a simplified secondary organic aerosol (SOA) parameterization significantly improves the OA simulations in polluted urban areas, highlighting the important contributions of anthropogenic SOA from semivolatile and intermediate-volatility organic compounds. The model underestimates sulfate and overestimates nitrate for most of the sites throughout the year. More significant underestimation of sulfate occurs in winter, while the overestimation of nitrate is extremely large in summer. The model is unable to capture some of the main features in the diurnal pattern of the PM 2.5 chemical components, suggesting inaccuracies in the presented processes. Potential model adjustments that may lead to a better representation of the boundary layer height, the precursor emissions, hydroxyl radical concentrations, the heterogeneous formation of sulfate and nitrate, and the wet deposition of nitric acid and nitrate have been tested in the sensitivity analysis. The results show that uncertainties in chemistry perhaps dominate the model biases. The proper implementation of heterogeneous sulfate formation and the good estimates of the concentrations of sulfur dioxide, hydroxyl radical, and aerosol liquid water are essential for the improvement of the sulfate simulation. The update of the heterogeneous uptake coefficient of nitrogen dioxide significantly reduces the modeled concentrations of nitrate. However, the large overestimation of nitrate concentrations remains in summer for all tested cases. The possible bias in the chemical production and the wet deposition of nitrate cannot fully explain the model overestimation of nitrate, suggesting issues related to the atmospheric removal of nitric acid and nitrate. A better understanding of the atmospheric nitrogen budget, in particular, the role of the photolysis of particulate nitrate, is needed for future model developments. Moreover, the results suggest that the remaining underestimation of OA in the model is associated with the underrepresented production of SOA.

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

A global study of hygroscopicity-driven light-scattering enhancement in the context of other in situ aerosol optical properties

The scattering and backscattering enhancement factors (ƒ(RH) and ƒ b (RH)) describe how aerosol particle light scattering and backscattering, respectively, change with relative humidity (RH). They are important parameters in estimating direct aerosol radiative forcing (DARF). In this study we use the dataset presented in Burgos et al. (2019) that compiles ƒ(RH) and ƒ b (RH) measurements at three wavelengths (i.e., 450, 550 and 700 nm) performed with tandem nephelometer systems at multiple sites around the world. We present an overview of ƒ(RH) and ƒ b (RH) based on both long-term and campaign observations from 23 sites representing a range of aerosol types. The scattering enhancement shows a strong variability from site to site, with no clear pattern with respect to the total scattering coefficient. In general, higher ƒ(RH) is observed at Arctic and marine sites, while lower values are found at urban and desert sites, although a consistent pattern as a function of site type is not observed. The backscattering enhancement ƒ b (RH) is consistently lower than ƒ(RH) at all sites, with the difference between ƒ(RH) and ƒ b (RH) increasing for aerosol with higher ƒ(RH). This is consistent with Mie theory, which predicts higher enhancement of the light scattering in the forward than in the backward direction as the particle takes up water. Our results show that the scattering enhancement is higher for PM 1 than PM 10 at most sites, which is also supported by theory due to the change in scattering efficiency with the size parameter that relates particle size and the wavelength of incident light. At marine-influenced sites this difference is enhanced when coarse particles (likely sea salt) predominate. For most sites, ƒ(RH) is observed to increase with increasing wavelength, except at sites with a known dust influence where the spectral dependence of ƒ(RH) is found to be low or even exhibit the opposite pattern. The impact of RH on aerosol properties used to calculate radiative forcing (e.g., single-scattering albedo, ω 0 , and backscattered fraction, b) is evaluated. The single-scattering albedo generally increases with RH, while b decreases. The net effect of aerosol hygroscopicity on radiative forcing efficiency (RFE) is an increase in the absolute forcing effect (negative sign) by a factor of up to 4 at RH = 90 % compared to dry conditions (RH < 40 %). Because of the scarcity of scattering enhancement measurements, an attempt was made to use other more commonly available aerosol parameters (i.e., ω 0 and scattering Ångström exponent, α sp ) to parameterize ƒ(RH). The majority of sites (75 %) showed a consistent trend with ω 0 (higher ƒ(RH = 85 %) for higher ω 0 ), while no clear pattern was observed between ƒ(RH = 85 %) and αsp. This suggests that aerosol ω 0 is more promising than α sp as a surrogate for the scattering enhancement factor, although neither parameter is ideal. Nonetheless, the qualitative relationship observed between ω 0 and ƒ(RH) could serve as a constraint on global model simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Aerosols from anthropogenic and biogenic sources and their interactions – modeling aerosol formation, optical properties, and impacts over the central Amazon basin

The Green Ocean Amazon experiment – GoAmazon 2014–2015 – explored the interactions between natural biogenic forest emissions from central Amazonia and urban air pollution from Manaus. Previous GoAmazon 2014–2015 studies showed that nitrogen oxide (NO x = NO + NO 2 ) and sulfur oxide (SO x ) emissions from Manaus strongly interact with biogenic volatile organic compounds (BVOCs), affecting secondary organic aerosol (SOA) formation. In previous studies, ground-based and aircraft measurements provided evidence of SOA formation and strong changes in aerosol composition and properties. Aerosol optical properties also evolve, and their impacts on the Amazonian ecosystem can be significant. As particles age, some processes, such as SOA production, black carbon (BC) deposition, particle growth and the BC lensing effect change the aerosol optical properties, affecting the solar radiation flux at the surface. This study analyzes data and models SOA formation using the Weather Research and Forecasting with Chemistry (WRF-Chem) model to assess the spatial variability in aerosol optical properties as the Manaus plumes interact with the natural atmosphere. The following aerosol optical properties are investigated: single scattering albedo (SSA), asymmetry parameter (g aer ), absorption Ångström exponent (AAE) and scattering Ångström exponent (SAE). These simulations were validated using ground-based measurements at three experimental sites, namely the Amazon Tall Tower Observatory – ATTO (T0a), downtown Manaus (T1), Tiwa Hotel (T2) and Manacapuru (T3), as well as the U.S. Department of Energy (DOE) Gulfstream 1 (G-1) aircraft flights. WRF-Chem simulations were performed over 7 d during March 2014. Results show a mean biogenic SOA (BSOA) mass enrichment of 512 % at the T1 site, 450 % in regions downwind of Manaus, such as the T3 site, and 850 % in areas north of the T3 site in simulations with anthropogenic emissions. The SOA formation is rather fast, with about 80 % of the SOA mass produced in 3–4 h. Comparing the plume from simulations with and without anthropogenic emissions, SSA shows a downwind reduction of approximately 10 %, 11 % and 6 % at the T1, T2 and T3 sites, respectively. Other regions, such as those further downwind of the T3 site, are also affected. The g aer values increased from 0.62 to 0.74 at the T1 site and from 0.67 to 0.72 at the T3 site when anthropogenic emissions are active. During the Manaus plume-aging process, a plume tracking analysis shows an increase in SSA from 0.91 close to Manaus to 0.98 160 km downwind of Manaus as a result of SOA production and BC deposition.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Modeling the impact of COVID-19 on air quality in southern California: implications for future control policies

Abstract. In response to the coronavirus disease of 2019 (COVID-19), California issued statewide stay-at-home orders, bringing about abrupt and dramatic reductions in air pollutant emissions. This crisis offers us an unprecedented opportunity to evaluate the effectiveness of emission reductions in terms of air quality. Here we use the Weather Research and Forecasting model with Chemistry (WRF-Chem) in combination with surface observations to study the impact of the COVID-19 lockdown measures on air quality in southern California. Based on activity level statistics and satellite observations, we estimate the sectoral emission changes during the lockdown. Due to the reduced emissions, the population-weighted concentrations of fine particulate matter (PM2.5) decrease by 15 % in southern California. The emission reductions contribute 68 % of the PM2.5 concentration decrease before and after the lockdown, while meteorology variations contribute the remaining 32 %. Among all chemical compositions, the PM2.5 concentration decrease due to emission reductions is dominated by nitrate and primary components. For O3 concentrations, the emission reductions cause a decrease in rural areas but an increase in urban areas; the increase can be offset by a 70 % emission reduction in anthropogenic volatile organic compounds (VOCs). These findings suggest that a strengthened control on primary PM2.5 emissions and a well-balanced control on nitrogen oxides and VOC emissions are needed to effectively and sustainably alleviate PM2.5 and O3 pollution in southern California.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A new method for inferring city emissions and lifetimes of nitrogen oxides from high-resolution nitrogen dioxide observations: a model study

We present a new method to infer emissions and lifetimes of nitrogen oxides (NO x ) based on tropospheric nitrogen dioxide (NO 2 ) observations together with reanalysis wind fields for cities located in polluted backgrounds. Since the accuracy of the method is difficult to assess due to lack of “true values” that can be used as a benchmark, we apply the method to synthetic NO 2 observations derived from the NASA-Unified Weather Research and Forecasting (NU-WRF) model at a high horizontal spatial resolution of 4 km × 4 km for cities over the continental United States. We compare the inferred emissions and lifetimes with the values given by the NU-WRF model to evaluate the method. The method is applicable to 26 US cities. The derived results are generally in good agreement with the values given by the model, with the relative differences of 2 % ± 17 % (mean ± standard deviation) and 15 % ± 25 % for lifetimes and emissions, respectively. Our investigation suggests that the use of wind data prior to the satellite overpass time improves the performance of the method. The correlation coefficients between inferred and NU-WRF lifetimes increase from 0.56 to 0.79 and for emissions increase from 0.88 to 0.96 when comparing results based on wind fields sampled simultaneously with satellite observations and averaged over 9 h data prior to satellite observations, respectively. We estimate that uncertainties in NO x lifetime and emissions arising from the method are approximately 15 % and 20 %, respectively, for typical (US) cities. The total uncertainties reach up to 43% (lifetimes) and 45% (emissions) by considering the additional uncertainties associated with satellite NO 2 observations and wind data. We expect this new method to be applicable to NO 2 observations from the TROPOspheric Monitoring Instrument (TROPOMI) and geostationary satellites, such as Geostationary Environment Monitoring Spectrometer (GEMS) or the Tropospheric Emissions: Monitoring Pollution (TEMPO) instrument, to estimate urban NO x emissions and lifetimes globally.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Shallow cloud variability in Houston, Texas, during the ESCAPE and TRACER field experiments

Shallow convection plays an important role in Earth's climate system by regulating the vertical transport of heat, moisture, and momentum in the lower troposphere. Aerosols, large-scale meteorology, and low-level convergence influence the spatiotemporal variability in shallow convection, and the coastal urban area of Houston, Texas, is an ideal laboratory to investigate these complex interactions. Here, geostationary satellite and ground-based radar observations from June to September 2022 during the TRacking Aerosol Convection interactions ExpeRiment (TRACER) and Experiment of Sea Breeze Convection, Aerosols, Precipitation, and Environment (ESCAPE) field campaigns are used to characterize the spatial coverage, vertical extent, and precipitation fraction of shallow convective clouds. The fused operational remote sensing datasets over a 250 km × 250 km domain are evaluated against profiling observations. The domain-wide diurnal shallow cloud fractions are used to identify four distinct modes of shallow convection. In all clusters, the domain-wide cloud fractions are consistently higher than the domain-wide precipitation fractions, and shallow cloud fractions are higher over water than they are over land, while the shallow precipitation fractions show the opposite behavior. In the two modes with minimal deep cloud activity, shallow cloud frequency is highest over ocean in the early morning, and there is a transition to higher shallow cloud frequency over land by the afternoon in one cluster or to high shallow cloud frequencies everywhere by the afternoon in the other. Lastly, we find regions with higher shallow cloud top heights and a large region along the coastline where shallow clouds are more likely to precipitate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Correcting for filter-based aerosol light absorption biases at the Atmospheric Radiation Measurement program's Southern Great Plains site using photoacoustic measurements and machine learning

Abstract. Measurement of light absorption of solar radiation by aerosols is vital for assessing direct aerosol radiative forcing, which affects local and global climate. Low-cost and easy-to-operate filter-based instruments, such as the Particle Soot Absorption Photometer (PSAP), that collect aerosols on a filter and measure light attenuation through the filter are widely used to infer aerosol light absorption. However, filter-based absorption measurements are subject to artifacts that are difficult to quantify. These artifacts are associated with the presence of the filter medium and the complex interactions between the filter fibers and accumulated aerosols. Various correction algorithms have been introduced to correct for the filter-based absorption coefficient measurements toward predicting the particle-phase absorption coefficient (Babs). However, the inability of these algorithms to incorporate into their formulations the complex matrix of influencing parameters such as particle asymmetry parameter, particle size, and particle penetration depth results in prediction of particle-phase absorption coefficients with relatively low accuracy. The analytical forms of corrections also suffer from a lack of universal applicability: different corrections are required for rural and urban sites across the world. In this study, we analyzed and compared 3 months of high-time-resolution ambient aerosol absorption data collected synchronously using a three-wavelength photoacoustic absorption spectrometer (PASS) and PSAP. Both instruments were operated on the same sampling inlet at the Department of Energy's Atmospheric Radiation Measurement program's Southern Great Plains (SGP) user facility in Oklahoma. We implemented the two most commonly used analytical correction algorithms, namely, Virkkula (2010) and the average of Virkkula (2010) and Ogren (2010)–Bond et al. (1999) as well as a random forest regression (RFR) machine learning algorithm to predict Babs values from the PSAP's filter-based measurements. The predicted Babs was compared against the reference Babs measured by the PASS. The RFR algorithm performed the best by yielding the lowest root mean square error of prediction. The algorithm was trained using input datasets from the PSAP (transmission and uncorrected absorption coefficient), a co-located nephelometer (scattering coefficients), and the Aerosol Chemical Speciation Monitor (mass concentration of non-refractory aerosol particles). A revised form of the Virkkula (2010) algorithm suitable for the SGP site has been proposed; however, its performance yields approximately 2-fold errors when compared to the RFR algorithm. To generalize the accuracy and applicability of our proposed RFR algorithm, we trained and tested it on a dataset of laboratory measurements of combustion aerosols. Input variables to the algorithm included the aerosol number size distribution from the Scanning Mobility Particle Sizer, absorption coefficients from the filter-based Tricolor Absorption Photometer, and scattering coefficients from a multiwavelength nephelometer. The RFR algorithm predicted Babs values within 5 % of the reference Babs measured by the multiwavelength PASS during the laboratory experiments. Thus, we show that machine learning approaches offer a promising path to correct for biases in long-term filter-based absorption datasets and accurately quantify their variability and trends needed for robust radiative forcing determination.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Chemical ionization mass spectrometry utilizing benzene cations for measurements of volatile organic compounds and nitric oxide

We evaluate the capability of chemical ionization mass spectrometry (CIMS) using benzene cations as reagent ions (benzene CIMS) for detecting atmospheric trace gases. We characterize the ionization pathways and product ion distributions for 27 analytes spanning diverse chemical classes. To interpret the complex ion chemistry involving two reagent ions (C 6 H$^{+}_{6}$ and (C 6 H 6 )$^{+}_{2}$) and multiple ionization pathways (charge transfer, proton transfer, adduct formation, and hydride abstraction), we introduce a thermodynamics-based framework that classifies analytes into three categories based on their ionization energy (IE), relative to those of benzene monomer (9.24 eV) and dimer (8.69 eV). Each class exhibits distinct ionization mechanisms and product ions. Analytes with IE smaller than 8.69 eV (low IE) undergo charge transfer with both reagent ions; analytes with IE between 8.69 and 9.24 eV (mid IE) undergo charge transfer with C 6 H$^{+}_{6}$ and potential adduct formation with (C 6 H 6 )$^{+}_{2}$; analytes with IE larger than 9.24 eV (high IE) could undergo adduct formation, proton transfer, or hydride abstraction. Analytes within each class also show similar sensitivity, enabling sensitivity estimation for compounds lacking calibration standards. In addition to volatile organic compounds (VOCs), benzene CIMS detects nitric oxide (NO) with a detection limit of 5 pptv for 1 min integration time, exceeding the performance of most commercial NOx analyzers. Field deployments in Chicago and St. Louis demonstrate good agreement with reference NO measurements. Isoprene measurements show good agreement with a co-located gas chromatography–photoionization detector (GC-PID) in St. Louis, but exhibit substantial positive bias in Chicago, likely due to interferences from anthropogenic VOCs in the polluted urban environment. These results highlight the potential of benzene CIMS for concurrent measurements of NO, VOCs, and their oxidation products using a single instrument, while also underscoring challenges in complex atmospheric conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

UCB-GLOBES: An open-access mass spectral database of identified and unidentified atmospheric organic compounds

Chemical characterization of atmospheric organic aerosols using gas chromatography with 70 eV electron ionization mass spectrometry (GC/EI-MS) has been used for decades in advancing molecular marker detection and identification, though primarily through suspect screening and/or targeted analyses. To advance non-targeted analyses of environmental samples, we have catalogued approximately 27 000 mass spectra (MS) of the trimethylsilyl derivatives of semi-volatile organic aerosol (OA) analytes in the open-access University of California Berkeley Goldstein Library of Organic Biogenic Environmental Spectra (UCB-GLOBES). Analytes were observed in ambient samples from the U.S. and the Central Amazon and/or laboratory simulations of secondary OA (SOA) formation. These samples are representative of OA under urban and biomass burning influences as well as SOA derived from biogenic precursors (e.g., isoprene, monoterpenes, sesquiterpenes) and biomass burning intermediates. MS are documented in UCB-GLOBES without regard to known chemical identity, annotated with extensive metadata such as sample source/experimental conditions, any structural information gained from MS analyses, and predicted chemical properties such as average carbon oxidation state and carbon number. UCB-GLOBES MS are compatible for importing into the NIST MS Search program, and we have also provided a Jupyter Notebook for MS visualization and comparisons. We demonstrate the utility of UCB-GLOBES through MS reanalyses of prior analytes observed in ambient data, finding a 20 % reduction in the number of analytes assigned to OA source categories reliant solely on time series correlation and an overall 11 % increase in new MS-based OA source categorization for the Southeast U.S. For 1513 analytes observed previously in the Central Amazon, we found 375 MS matches using UCB-GLOBES vs. 136 MS matches during prior analyses, representing a 14 % gain in newly confirmed or newly categorized OA species. While OA from laboratory oxidation experiments in UCB-GLOBES are highly diverse chemically, on average only 29 % of UCB-GLOBES MS have a mass spectral match to another MS entry in UCB-GLOBES and/or in databases of known compounds (i.e. NIST MS Database, Adams Essential Oil, MANE Flavor and Fragrance Company). This indicates that roughly 70 % of UCB-GLOBES MS are unique thus far, not observed more than once among the laboratory oxidation samples and ambient data in UCB-GLOBES MS. Further, only 18 % can be positively identified using these databases or known authentic standards. This points to a large gap between these laboratory simulations and ambient OA. Overall, the UCB-GLOBES database can be utilized for improving confidence in OA source categorization and/or identification, novel chemical marker discovery, tracking chemical diversity, de novo structure and properties prediction, and improving MS search and matching algorithms. This can ultimately inform future research priorities for the chemical characterization of atmospheric organic samples.

Mass spectrometry↗