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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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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Development and Optimization of a Multi-Functional SCR-DPF Aftertreatment System for Heavy-Duty NOX and Soot Emission Reduction

The objective of this project is to develop a strategy for the integration of catalytic NOX emission control and particulate matter emission control into a single device for the successful application to heavy-duty on-road diesel engine exhaust aftertreatment. The critical attributes of such a device, for successful application to PACCAR fleet, are as follows: 1. Must have sufficient filtration efficiency and successfully demonstrate soot management strategies (i.e., oxidation) to be economically attractive and regulatory compliant for particulate matter abatement. 2. In particular, the integrated device must retain sufficiently high soot oxidation capacity with NO2 (i.e., passive soot oxidation) across an applicable engine test cycle to be economically attractive. 3. Must exhibit sufficient catalytic NOX reduction activity in an economically-attractive fashion that is regulatory compliant.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Deep reinforcement learning for dynamic control of fuel injection timing in multi-pulse compression ignition engines

Conventional compression-ignition (CI) engines have long offered high thermal efficiencies and torque across a wide range of loads, but often require extensive exhaust gas treatment that decreases efficiency to meet ever-increasing emissions regulations. One strategy to decrease emissions is to split the fuel injection into a series of smaller injections. In this paper, we explore a new way of discovering optimal control strategies for the next generation of CI engines using deep reinforcement learning (DRL). We outline a DRL procedure to maximize the weighted reward of engine work while minimizing end-of-cycle NO x emissions. Through the procedure outlined in this paper, we show that the DRL agent is able to reduce NO x emissions threefold while only decreasing network by 2%. We demonstrate the use of transfer learning (TL) across hierarchies of physical models to accelerate the learning process, making this approach feasible for a range of control problems within this space. This paper presents a framework and demonstration for using DRL to design control systems in technology areas such as multi-pulse engine control where a hierarchy of models combined with multi-objective rewards are used for optimal operation.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Molecular Insights into Geochemical Reactions of Iron-Bearing Minerals: Implications for Hydrogen Geo-Storage

Here, this study investigates the reaction of hydrogen (H 2 ) with pyrite (FeS 2 ), focusing on how temperature and the presence of water influence the reaction pathways and kinetics. Utilizing computational molecular simulations and kinetic analyses, we explore the impact of these factors on the formation of hydrogen sulfide (H 2 S) and related species. First, grand canonical Monte Carlo/molecular dynamics (GCMC/MD) simulations reveal that physical H 2 adsorption occurs in distinct layers on the pyrite surface. In addition, increased temperatures reduce the absolute adsorption capacities. Reactive MD simulations demonstrate that H 2 interacts differently with pyrite under varying conditions. At 298 K, H 2 reacts with pyrite to form HS – , leading to the formation of HS – through covalent bonding with sulfur of pyrite. However, no H 2 S is produced at this temperature, suggesting that a kinetic barrier (i.e., activation energy) may prevent this reaction. At higher temperatures, H 2 S production significantly increases. The presence of water introduces additional complexity to the reaction mechanism. Unlike dry conditions, water enhances H 2 S generation, even at low temperatures. Water also facilitates the formation of additional products, such as SOH, indicating a more intricate chemical environment on the pyrite surface. Our findings identify the association of HS – ions to form H 2 S as the rate-limiting step, with temperature influencing this process. This finding suggests that while the presence of water can create a more dynamic reaction environment, the overall mechanisms leading to H 2 S formation remain consistent. These outcomes suggest the need for developing targeted strategies to manage and control H 2 S emissions within the context of underground hydrogen storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Disentangling the mechanism of temperature and water vapor modulation on ozone under a warming climate

Temperature and water vapor have been considered as important factors affecting ozone concentrations, however, their synergistic effect on ozone, as well as its response to a warming climate remains unclear. Here, numerical experiments with different combinations of climate and emissions highlighted opposite changes of annual ozone over the contiguous U.S. under scenarios with high vs. low ozone precursor emissions in the future with warming. Comparing the occurrence of heat waves on higher vs. lower ozone days, we found significant suppression of the heat wave exacerbation of ozone by anthropogenic emissions reductions. Variations of ozone with temperature (T) and water vapor (Q) over the western U.S. and southeastern U.S. in the simulations are clearly revealed through the construction of an O 3 -T-Q diagram. Based on the diagram, we further identified a T-dominant regime at higher temperatures where ozone increases with temperature increase, and a Q-dominant regime at lower temperatures where ozone decreases with temperature increase due to the negative effect of water vapor. With larger anthropogenic emission reductions, ozone may increase at a lower rate with temperature in the T-dominant regime, or even decrease with temperature in the Q-dominant regime. Our results show that with large emission reductions, substantial ozone pollution due to warming and increasing heat waves may be counteracted by water vapor, partly turning the ‘climate penalty’ on ozone into ‘climate benefit’. Hence controlling anthropogenic emissions may be an increasingly important strategy in a warmer and wetter climate to improve air quality and public health.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Examination of a Methane/Diesel RCCI Engine Using Pele: Preprint

Multi-fuel, advanced injection strategies have become increasingly promising as a strategy to mitigate the emissions generated from internal combustion engines. By carefully controlling the combustion phasing in-cylinder, these new multi-pulse, multi-fuel injection strategies are able to burn in the low-temperature combustion regime where both NOx and soot are not readily produced, reducing the need for extensive exhaust gas recirculation systems. In this study, we examine a reactivity-controlled compression ignition (RCCI) strategy that uses an early pre-filled methane-air mixture with low turbulence background as the low-reactivity fuel and a direct injection of four discrete dodecane jets as a surrogate for the high-reactivity diesel fuel. We use the Pele software suite, a highly optimized, exascale-ready, adaptive mesh refinement codebase to perform high-resolution numerical simulations of a scaled down, single cylinder from the RCCI engine. Here, we resolve the ignition kernels down to micrometer scales and present several statistical quantities evaluating the development of the flow and detailing the onset of ignition and subsequent flame development. Particular attention is paid to the conditions surrounding the onset of the first ignition kernels and discussing what led to the development of those conditions.

CFD↗
DOE OSTI2025

Source Analysis of Ozone Pollution in Liaoyuan City’s Atmosphere Based on Machine Learning Models and HYSPLIT Clustering Method

Firstly, this study investigates the spatiotemporal distribution characteristics of the ozone (O 3 ) pollution in Liaoyuan City using monitoring data from 2015 to 2024. Then, three machine learning models (ML)—random forest (RF), support vector machine (SVM), and artificial neural network (ANN)—are employed to quantify the influence of meteorological and non-meteorological factors on O 3 concentrations. Finally, the HYSPLIT clustering method and CMAQ model are utilized to analyze inter-regional transport characteristics, identifying the causes of O 3 pollution. The results indicate that O 3 pollution in Liaoyuan exhibits a distinct seasonal pattern, with the highest concentrations found in spring and summer, peaking in the afternoon. Among the three ML models, the random forest model demonstrates the best predictive performance (R 2 = 0.9043). Feature importance identifies NO 2 as the primary driving factor, followed by meteorological conditions in the second quarter and land surface characteristics. Furthermore, regional transport significantly contributes to O 3 pollution, with approximately 80% of air mass trajectories in heavily polluted episodes originating from adjacent industrial areas and the sea. The combined effects of transboundary precursors and O 3 transport with local emissions and meteorological conditions further increase the O 3 pollution level. This study highlights the need to strengthen coordinated NO X and VOCs emission reductions and enhance regional joint prevention and control strategies in China.

HYSPLIT clustering↗
NASA NTRS2004

Space-Based Diagnosis of Surface Ozone Sensitivity to Anthropogenic Emissions

We present a novel capability in satellite remote sensing with implications for air pollution control strategy. We show that the ratio of formaldehyde columns to tropospheric nitrogen dioxide columns is an indicator of the relative sensitivity of surface ozone to emissions of nitrogen oxides (NO(x) = NO + NO2) and volatile organic compounds (VOCs). The diagnosis from these space-based observations is highly consistent with current understanding of surface ozone chemistry based on in situ observations. The satellite-derived ratios indicate that surface ozone is more sensitive to emissions of NO(x) than of VOCs throughout most continental regions of the Northern Hemisphere during summer. Exceptions include Los Angeles and industrial areas of Germany. A seasonal transition occurs in the fall when surface ozone becomes less sensitive to NOx and more sensitive to VOCs.

Martin, Randall V.↗
DOE OSTI2022

The impact of fuel and injection strategy on combustion characteristics, emissions and efficiency in gasoline compression ignition operation

Gasoline compression ignition in diesel engines has been proposed in order to meet increasingly stringent emission regulations without sacrificing efficiency. In this study, a six-cylinder heavy-duty diesel engine was operated in a mixing controlled gasoline compression ignition mode to investigate the influence of fuels and injection strategies on the combustion characteristics, emissions, and thermal efficiencies. Fuels, including ethanol (E), isobutanol (IB), and diisobutylene (DIB), were blended with a gasoline fuel to form E10, E30, IB30, and DIB30 based on volumetric fraction. These four blends along with gasoline formed the five test fuels. With these fuels, three injections strategies were investigated, including late pilot injection, early pilot injection, and port fuel injection/direct injection. The impact of moderate exhaust gas recirculation on nitrogen oxides and soot emissions was examined to determine the most promising fuel/injection strategy for emissions reduction. In addition, first and second law analyses were performed to provide insights into the efficiency, loss, and exergy destruction of the various gasoline fuel blends at low and medium load conditions. Overall, the emission output, thermal efficiency, and combustion performances of the five fuels were found to be similar and their differences are modest under most test conditions. E30 with the port/direct fuel injection strategy obtained the peak brake thermal efficiency (46.9%) and gross indicated thermal efficiency (52.2%) at 14 bar. At 7 bar, the peak brake thermal efficiency (44.2%) and gross indicated thermal efficiency (52.5%) also belonged to E30 with the late pilot injection strategy. The second law analysis revealed that exergy destruction was mostly influenced by the fuel type and not by the injection strategy for the 14 bar operating conditions. However, the opposite trend was observed for the 7 bar case. In addition, port fuel injection in combination with oxygenated fuel blends was found to be helpful to suppress soot emissions for operation with exhaust gas recirculation.

co-optima fuels↗
DOE OSTI2023

Model predictive control of mixing controlled compression ignition operation for low reactivity fuels

Using gasoline or other low reactivity fuels with a pilot injection or port fuel injection in a compression ignition engine has shown great potential in reducing NOx emissions while keeping high thermal efficiency compared to diesel. However, excessive combustion noise is caused by a high maximum pressure rise rate in the cylinder due to the higher fractions of premixed charge of the low-reactivity fuel. This noise can result in structural damage to engine components and as such, combustion noise limits the range of the operating parameters and makes the control of such engines challenging. In this study, a simulation environment was built up in MATLAB/Simulink leveraging a physics-based zero-dimension combustion model to capture the in-cylinder pressure time traces as well as metrics relevant to thermal efficiency and combustion noise. Here, in order to also facilitate the control of emissions, machine learning models were investigated to capture NOx emissions. A kernel-based extreme learning machine (K-ELM) performed best and had a coefficient of correlation (R-squared) of 0.998. The combustion and NOx emission models are valid for not only conventional gasoline fuel but also oxygenated alternative fuel blends at three different pilot injection strategies. In order to track key combustion metrics while keeping noise and emissions within constraints, a model predictive control (MPC) was applied for a compression ignition engine operating with a range of potential fuels and fuel injection strategies. The MPC is validated under different scenarios, including a load step change, fuel type change, and injection strategy change, with proportional–integral (PI) control as the baseline. The simulation results show that MPC reduces about 26% of ringing intensity in the transient process and 17% at the steady state for E30. Generally, MPC can optimize the overall performance through modifying the main injection timing, pilot fuel mass, and exhaust gas recirculation (EGR) fraction.

42 ENGINEERING↗
DOE OSTI2022

Experimental Studies of Low-Load Limit in a Stoichiometric Micro-Pilot Diesel Natural Gas Engine

While operating at light loads, diesel pilot-ignited natural gas engines with lean premixed natural gas suffer from poor combustion efficiency and high methane emissions. This work investigates the limits of low-load operation for a micro-pilot diesel natural gas engine that uses a stoichiometric mixture to enable methane and nitrogen oxide emission control. By optimizing engine hardware, operating conditions, and injection strategies, this study focused on defining the lowest achievable load while maintaining a stoichiometric equivalence ratio and with acceptable combustion stability. A multi-cylinder diesel 6.7 L engine was converted to run natural gas premix with a maximum diesel micro-pilot contribution of 10%. With a base diesel compression ratio of 17.3:1, the intake manifold pressure limit was 80 kPa(absolute). At a reduced compression ratio of 15:1, this limit increased to 85 kPa, raising the minimum stable load. Retarding the combustion phasing, typically used in spark-ignition engines to achieve lower loads, was also tested but found to be limited by degraded diesel ignition at later timings. Reducing the pilot injection pressure improved combustion stability, as did increasing pilot quantity at the cost of lower substitution ratios. The lean operation further reduced load but increased NOx and hydrocarbon emissions. At loads below the practical dual-fuel limit, a transition to lean diesel operation will likely be required with corresponding implications for the aftertreatment system.

03 NATURAL GAS↗
DOE OSTI2024

Connected Traffic Signal Coordination Optimization Framework through Network-Wide Adaptive Linear Quadratic Regulator–Based Control Strategy

Traffic congestion in metropolitan areas causes several significant challenges, such as longer travel times, decreased productivity, increased fuel consumption and vehicle emissions, and even severe injuries during crashes. Traffic signal control is a management approach to reduce traffic congestion and allocate the appropriate right of way for safety and mobility efficiency, both in temporal and spatial domains. Here, this study proposes a network-wide adaptive signal control coordination optimization framework based on the linear quadratic regulator algorithm. The traffic flow conditions driven by signal control inputs are formulated based on their network-wide state-space representation. After modeling traffic control regulation constraints, an adaptive linear quadratic regulator algorithm is designed to maximize the network-wide total throughput under the current conditions. Optimal signal control split time durations for multiple intersections in the network are derived by solving the algebraic Riccati equation. Furthermore, the recursive least square parameter estimation method is employed to quantify dynamic traffic condition changes. To verify the effectiveness of this proposed signal control framework, both simulation and real-world experimental tests are conducted for multiple intersections in downtown Chattanooga, Tennessee, United States. In preparation for real-world experimental tests, pipelines for real-time data processing implementation and historical traffic flow data analysis are conducted. The test results demonstrate that the proposed control framework achieves a decrease in travel time by up to 19.4%, total time spent (TTS) by up to 11.9%, and relative queue balance (RQB) by up to 15.6%. The research findings indicate that the proposed signal control framework can be generalized to handle large scale signal control optimization network-wide.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Exploring the potential benefits of high-efficiency dual-fuel combustion on a heavy-duty multi-cylinder engine for SuperTruck I

In support of the Daimler SuperTruck I team’s 55% brake thermal efficiency (BTE) pathway goal, researchers at Oak Ridge National Laboratory performed an experimental investigation of the potential efficiency and emissions benefits of dual-fuel advanced combustion approaches on a modified heavy-duty 15-L Detroit™ DD15 engine. For this work, a natural gas port fuel injection system with an independent injection control for each cylinder was added to the DD15 engine. For the dual-fuel strategies investigated, 65%–90% of the total fuel energy was supplied through the added port fuel injection natural gas (NG) fueling system. The remaining fuel energy was supplied by one or more direct injections of diesel fuel using the production high pressure diesel fueling system. The production DD15 air handling system and combustion geometry were unmodified for this study. Efficiency and emissions with dual-fuel strategies including both low temperature combustion (LTC) and non-LTC approaches such as dual fuel direct-injection were investigated along with control authority over combustion phasing. Parametric studies of dual-fuel NG/diesel advanced combustion were conducted in order to experimentally investigate the potential of high-efficiency, dual-fuel combustion strategies to improve BTE in a multi-cylinder engine, understand the potential reductions in engine-out emissions, and characterize the range of combustion phasing controllability. Characterization of mode transitions from mixing-controlled diesel pilot ignition to kinetically controlled ignition is presented. Key findings from this study included a reproducible demonstration of BTE approaching 48% at up to a 13-bar brake mean effective pressure with significant reductions in engine-out NOx and soot emissions. Additional results from investigating load transients in dual-fuel mode and initial characterization of particle size distribution during dual-fuel operation are presented.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Smart Ventilation for Advanced California Homes

This project investigated smart ventilation approaches to minimize energy use for providing indoor air quality (IAQ) in high performance new California homes. Evaluation criteria included annual ventilation-related energy, peak energy and time-of-use savings, and the indoor air quality relative to a minimally code-compliant ventilation system. The simulations used CONTAM’s air flow and contaminant transport model, combined with the EnergyPlus building loads model. House types representing the default California Energy Code compliance homes were investigated for four California climate zones, covering a wide range of climate types. Both single and multi-zone smart ventilation controls were investigated. Contaminant sources included contaminants emitted continuously and varying with time, temperature and relative humidity, episodic emissions from occupant activities and outdoor particles. Single-zone ventilation controls that varied ventilation depending on outdoor temperatures were able to consistently save half of ventilation-related energy without compromising long-term IAQ. Ventilation strategies that tracked occupancy were less successful, because this work included generic contaminants with constant background emission rates. Energy performance for occupancy controls improved with a one-hour pre-occupancy flush out strategy. The addition of zoning ventilation controls did not offer significant IAQ to energy improvements compared to non-zonal versions of the same ventilation system type. The best controls had HVAC energy savings of 10-20%, with individual cases reaching up to 40% savings. However, these savings cannot be achieved without worsening personal exposures for at least one contaminant. A metric is needed to assess the competing changes in exposure to different contaminants in order to determine the net-health impacts of a control strategy. Controls that directly sensed contaminants and controlled them to acceptable levels showed that the California OEHHA limit for formaldehyde completely dominates system performance, with homes not able to meet the limit even with continuous operation of a fan sized to twice the current code minimum.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Extreme Miller cycle with high intake boost for improved efficiency and emissions in heavy-duty diesel engines

This study experimentally investigates the impact of extreme Miller cycle strategies paired with high intake manifold pressures on the combustion process, emissions, and thermal efficiency of heavy-duty diesel engines. Well-controlled experiments isolating the effect of Miller cycle strategies on the combustion process were conducted at constant engine speed and load (1160 rpm, 1.76 MPa net IMEP) on a single cylinder research engine equipped with a fully-flexible hydraulic valve train system. Late intake valve closing (LIVC) timing strategies were compared to a conventional intake valve profile under either constant cylinder composition, constant engine-out NO x emission, or constant overall turbocharger efficiency (η TC ) to investigate the operating constraints that favor Miller cycle operation over the baseline strategy. Furthermore, utilizing high boost with conventional intake valve closing timing resulted in improved fuel consumption at the expense of sharp increases in peak cylinder pressures, engine-out NO x emissions, and reduced exhaust temperatures. Miller cycle without EGR at constant λ demonstrated LIVC strategies effectively reduce engine-out NO x emissions by up to 35%. However, Miller cycle associated with very aggressive LIVC timings led to fuel consumption penalties due to increased pumping work and exhaust enthalpy. LIVC strategies allowed for increased charge dilution at the baseline NO x constraint of 3.2 g/kWh, resulting in significant fuel consumption benefits over the baseline case without compromising exhaust temperatures or peak cylinder pressures. As Miller cycle implementation was shown to affect the boundary conditions dictating η TC , the LIVC and conventional IVC cases were studied at an equivalent η TC point representative of high boost operation. With high boost, LIVC yielded reduced NO x emissions, reduced peak cylinder pressures, and elevated exhaust temperatures compared to the conventional IVC case without compromising fuel consumption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Impact of Intersection Control on Battery Electric Vehicle Energy Consumption

Battery electric vehicle (BEV) sales have significantly increased in recent years. They have different energy consumption patterns compared to the fuel consumption patterns of internal combustion engine vehicles (ICEVs). This study quantified the impact of intersection control approaches—roundabout, traffic signal, and two-way stop controls—on BEVs’ energy consumption. The paper systematically investigates BEVs’ energy consumption patterns compared to the fuel consumption of ICEVs. The results indicate that BEVs’ energy consumption patterns are significantly different than ICEVs’ patterns. For example, for BEVs approaching a high-speed intersection, the roundabout was found to be the most energy-efficient intersection control, while the two-way stop sign was the least efficient. In contrast, for ICEVs, the two-way stop sign was the most fuel-efficient control, while the roundabout was the least efficient. Findings also indicate that the energy saving of traffic signal coordination was less significant for BEVs compared to the fuel consumption of ICEVs since more regenerative energy is produced when partial or poorly coordinated signal plans are implemented. The study confirms that BEV regenerative energy is a major factor in energy efficiency, and that BEVs recover different amounts of energy in different urban driving environments. The study suggests that new transportation facilities and control strategies should be designed to enhance BEVs’ energy efficiency, particularly in zero emission zones.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1975

CARETS: A prototype regional environmental information system. Volume 7: Land use information and air quality planning

The pilot national land use information system developed by the U.S. Geological Survey in the Central Atlantic Regional Ecological Test Site project has provided an improved technique for estimating emissions, diffusion, and impact patterns of sulfur dioxide (S0 2 ) and particulate matter. Implementation of plans to control air quality requires land use information, which, until this time, has been inadequate. The pilot system, however, provided data for updating information on the sources of point and area emissions of S0 2 and particulate matter affecting the Norfolk--Portsmouth area of Virginia for the 1971-72 winter (Dec.-Jan.-Feb.) and the annual 1972 period, and for a future annual period--1985. This emission information is used as input to the Air Quality Display Model of the Environmental Protection Agency to obtain diffusion and impact patterns for the three periods previously mentioned. The results are: (1) During the 1971-72 winter, estimated SO 2 amounts over an area with a SW-NE-axis in the central section of Norfolk exceeded both primary and secondary levels; (2) future annual levels of SO 2 , estimated by anticipated residential development and point-source changes, are not expected to cause serious deterioration of the region's present air quality; and (3) for the 1971-72 winter and annual 1972 period the diffusion results showed that both primary and secondary standards for particulate matter are regularly exceeded in central Norfolk and Portsmouth. In additions on the bas is of current control programs, the 1985 levels of particulate matter are expected to exceed the presently established secondary air quality standards throughout central Norfolk and Portsmouth and in certain areas of Virginia Beach. The land use information can be used to estimate emissions for inputs to diffusion models and to interpret the implications of diffusion patterns for: (1) Implementing various control strategies (2) selecting sites of air sampling stations, and (3) predicting the effects that proposed changes in land use might have on emission patterns and air quality.

Remote sensing↗
NASA NTRS2018

Southeast Atmosphere Studies: Learning from Model-Observation Syntheses

Concentrations of atmospheric trace species in the United States have changed dramatically over the past several decades in response to pollution control strategies, shifts in domestic energy policy and economics, and economic development (and resulting emission changes) elsewhere in the world. Reliable projections of the future atmosphere require models to not only accurately describe current atmospheric concentrations, but to do so by representing chemical, physical and biological processes with conceptual and quantitative fidelity. Only through incorporation of the processes controlling emissions and chemical mechanisms that represent the key transformations among reactive molecules can models reliably project the impacts of future policy, energy and climate scenarios. Efforts to properly identify and implement the fundamental and controlling mechanisms in atmospheric models benefit from intensive observation periods, during which collocated measurements of diverse, speciated chemicals in both the gas and condensed phases are obtained. The Southeast Atmosphere Studies (SAS, including SENEX, SOAS, NOMADSS and SEAC4RS) conducted during the summer of 2013 provided an unprecedented opportunity for the atmospheric modeling community to come together to evaluate, diagnose and improve the representation of fundamental climate and air quality processes in models of varying temporal and spatial scales. This paper is aimed at discussing progress in evaluating, diagnosing and improving air quality and climate modeling using comparisons to SAS observations as a guide to thinking about improvements to mechanisms and parameterizations in models. The effort focused primarily on model representation of fundamental atmospheric processes that are essential to the formation of ozone, secondary organic aerosol (SOA) and other trace species in the troposphere, with the ultimate goal of understanding the radiative impacts of these species in the southeast and elsewhere. Here we address questions surrounding four key themes: gas-phase chemistry, aerosol chemistry, regional climate and chemistry interactions, and natural and anthropogenic emissions. We expect this review to serve as a guidance for future modeling efforts.

atmospheric chemistry↗
DOE OSTI2021

A Statistical Evaluation of WRF-LES Trace Gas Dispersion Using Project Prairie Grass Measurements

In recent years, new measurement systems have been deployed to monitor and quantify methane emissions from the natural gas sector. Large-eddy simulation (LES) has complemented measurement campaigns by serving as a controlled environment in which to study plume dynamics and sampling strategies. However, with few comparisons with controlled-release experiments, the accuracy of LES for modeling natural gas emissions is poorly characterized. In this paper, we evaluate LES from the Weather Research and Forecasting (WRF) Model against Project Prairie Grass campaign measurements and surface layer similarity theory. Using WRF-LES, we simulate continuous emissions from 30 near-surface trace gas sources in two stability regimes: strong convection and weak convection. We examine the impact of grid resolutions ranging from 6.25 to 52 m in the horizontal dimension on model results. We evaluate performance in a statistical framework, calculating fractional bias and conducting Welch’s t tests. WRF-LES accurately simulates observed surface concentrations at 100 m and beyond under strong convection; simulated concentrations pass t tests in this region irrespective of grid resolution. However, in weakly convective conditions with strong winds, WRF-LES substantially overpredicts concentrations—the magnitude of fractional bias often exceeds 30%, and all but one t test fails. The good performance of WRF-LES under strong convection correlates with agreement with local free convection theory and a minimal amount of parameterized turbulent kinetic energy. The poor performance under weak convection corresponds to misalignment with Monin–Obukhov similarity theory and a significant amount of parameterized turbulent kinetic energy.

17 WIND ENERGY↗