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All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Assessment of the Performance Potential of Advanced Subsonic Transport Concepts for NASA's Environmentally Responsible Aviation Project

NASA's Environmentally Responsible Aviation (ERA) project has matured technologies to enable simultaneous reductions in fuel burn, noise, and nitrogen oxide (NOx) emissions for future subsonic commercial transport aircraft. The fuel burn reduction target was a 50% reduction in block fuel burn (relative to a 2005 best-in-class baseline aircraft), utilizing technologies with an estimated Technology Readiness Level (TRL) of 4-6 by 2020. Progress towards this fuel burn reduction target was measured through the conceptual design and analysis of advanced subsonic commercial transport concepts spanning vehicle size classes from regional jet (98 passengers) to very large twin aisle size (400 passengers). Both conventional tube-and-wing (T+W) concepts and unconventional (over-wing-nacelle (OWN), hybrid wing body (HWB), mid-fuselage nacelle (MFN)) concepts were developed. A set of propulsion and airframe technologies were defined and integrated onto these advanced concepts which were then sized to meet the baseline mission requirements. Block fuel burn performance was then estimated, resulting in reductions relative to the 2005 best-in-class baseline performance ranging from 39% to 49%. The advanced single-aisle and large twin aisle T+W concepts had reductions of 43% and 41%, respectively, relative to the 737-800 and 777-200LR aircraft. The single-aisle OWN concept and the large twin aisle class HWB concept had reductions of 45% and 47%, respectively. In addition to their estimated fuel burn reduction performance, these unconventional concepts have the potential to provide significant noise reductions due, in part, to engine shielding provided by the airframe. Finally, all of the advanced concepts also have the potential for significant NOx emissions reductions due to the use of advanced combustor technology. Noise and NOx emissions reduction estimates were also generated for these concepts as part of the ERA project.

Nickol, Craig L.↗
NASA NTRS2017

Description and Evaluation of the Multiscale Online Nonhydrostatic AtmospheRe CHemistry Model (NMMB-MONARCH) Version 1.0: Gas-Phase Chemistry at Global Scale

This paper presents a comprehensive description and benchmark evaluation of the tropospheric gas-phase chemistry component of the Multiscale Online Nonhydrostatic AtmospheRe CHemistry model (NMMBMONARCH), formerly known as NMMB/BSC-CTM, that can be run on both regional and global domains. Here, we provide an extensive evaluation of a global annual cycle simulation using a variety of background surface stations (EMEP, WDCGG and CASTNET), ozonesondes (WOUDC, CMD and SHADOZ), aircraft data (MOZAIC and several campaigns), and satellite observations (SCIAMACHY and MOPITT).We also include an extensive discussion of our results in comparison to other state-of-the-art models. We note that in this study, we omitted aerosol processes and some natural emissions (lightning and volcano emissions). The model shows a realistic oxidative capacity across the globe. The seasonal cycle for CO is fairly well represented at different locations (correlations around 0.3-0.7 in surface concentrations), although concentrations are underestimated in spring and winter in the Northern Hemisphere, and are overestimated throughout the year at 800 and 500 hPa in the Southern Hemisphere. Nitrogen species are well represented in almost all locations, particularly NO2 in Europe (root mean square error - RMSE - below 5 ppb). The modeled vertical distributions of NOx and HNO3 are in excellent agreement with the observed values and the spatial and seasonal trends of tropospheric NO2 columns correspond well to observations from SCIAMACHY, capturing the highly polluted areas and the biomass burning cycle throughout the year. Over Asia, the model underestimates NOx from March to August, probably due to an underestimation of NOx emissions in the region. Overall, the comparison of the modeled CO and NO2 with MOPITT and SCIAMACHY observations emphasizes the need for more accurate emission rates from anthropogenic and biomass burning sources (i.e., specification of temporal variability).

atmospheric chemistry↗
NASA NTRS2018

Evaluation of Modeling NO2 Concentrations Driven by Satellite-Derived and Bottom-Up Emission Inventories Using In-Situ Measurements Over China

Chemical transport models together with emission inventories are widely used to simulate NO2 concentrations over China, but validation of the simulations with in situ measurements has been extremely limited. Here we use ground measurements obtained from the air quality monitoring network recently developed by the Ministry of Environmental Protection of China to validate modeling surface NO2 concentrations from the CHIMERE regional chemical transport model driven by the satellite-derived DECSO and the bottom-up MIX emission inventories. We applied a correction factor to the observations to account for the interferences of other oxidized nitrogen compounds (NOz), based on the modeled ratio of NO2 to NOz. The model accurately reproduces the spatial variability in NO2 from in situ measurements, with a spatial correlation coefficient of over 0.7 for simulations based on both inventories. A negative and positive bias is found for the simulation with the DECSO (slopeD0.74 and 0.64 for the daily mean and daytime only) and the MIX (slopeD1.3 and 1.1) inventories, respectively, suggesting an underestimation and overestimation of NOx emissions from corresponding inventories. The bias between observed and modeled concentrations is reduced, with the slope dropping from 1.3 to 1.0 when the spatial distribution of NOx emissions in the DECSO inventory is applied as the spatial proxy for the MIX inventory, which suggests an improvement of the distribution of emissions between urban and suburban or rural areas in the DECSO inventory compared to that used in the bottom-up inventory. A rough estimate indicates that the observed concentrations, from sites predominantly placed in the populated urban areas, may be 10-40% higher than the corresponding model grid cell mean. This reduces the estimate of the negative bias of the DECSO-based simulation to the range of -30 to 0% on average and more firmly establishes that the MIX inventory is biased high over major cities. The performance of the model is comparable over seasons, with a slightly worse spatial correlation in summer due to the difficulties in resolving the more active NOx photochemistry and larger concentration gradients in summer by the model. In addition, the model well captures the daytime diurnal cycle but shows more significant disagreement between simulations and measurements during nighttime, which likely produces a positive model bias of about 15% in the daily mean concentrations. This is most likely related to the uncertainty in vertical mixing in the model at night.

NO2 modelling↗
NASA NTRS2018

Global Changes in the Diurnal Cycle of Surface Ozone

Changing emissions of NOx and other ozone precursors drive trends in both production and loss of surface ozone, leading to surface ozone trends that differ according to the time of day. Consequently, the magnitude of the diurnal cycle in surface ozone is changing in several regions of the world. Changes in the diurnal cycle of ozone have implications for the metrics used to assess the impact of ozone on human health and vegetation, since different metrics are sensitive to different portions of the diurnal cycle. We use a high resolution model simulation to examine global changes in the magnitude of the diurnal cycle of O3 between 1980 and 2015. The simulation reproduces the negative trends in the tropospheric NO2 column over the eastern United States and Europe, and the positive trends over East Asia, seen by the Ozone Monitoring Instrument (OMI). It also gives a reasonable reproduction of the change in the diurnal cycle of surface ozone seen at rural sites in the eastern United States between the 1990s and 2000s. The simulation shows that the magnitude of the surface O3 diurnal cycle is increasing in regions with positive changes in NOx emissions, such as South and East Asia, and decreasing in regions with reductions in NOx emissions. It also shows changes in the diurnal cycle of the tropospheric ozone column, although these have fewer regions with statistically significant trends. These changes suggest that daily mean ozone is responding less than the mid-day ozone measured by the Total Ozone Mapping Spectrometer (TOMS) and OMI.

Trends↗
NASA NTRS2019

Trends and Seasonal Variability of Atmospheric NO2 and HNO3 Concentrations Across Three Major African Biomes Inferred from Long-Term Series of Ground-Based and Satellite Measurements

In the framework of the INDAAF (International Network to study Deposition and Atmospheric chemistry in AFrica) programme, part of the ACTRIS (Aerosols, Clouds, and Trace gases Research InfraStructure), European Research Infrastructure for the long-term observation of Aerosol, Cloud, and Trace gases, this paper aims to study trends and seasonal variability of surface atmospheric NO2 and HNO3 concentrations, and OMI (Ozone Monitoring Instrument) NO2 over 6 sites in tropical Africa. Sites are located in west and central Africa to represent the major African biomes: dry savanna (Banizoumbou, Niger and Katibougou, Mali), wet savanna (Djougou, Benin and Lamto, Côte d’Ivoire) and forest (Bomassa, Republic of Congo and Zoétélé, Cameroon). Ground-based NO2 and HNO3 concentrations were obtained over the period 1998–2015 using INDAAF passive samplers at a monthly basis, and NO2 Vertical Column Densities (VCDs) from OMI for a 1-degree grid cell around each sites were obtained from 2005 to 2015. Mean annual NO2 concentrations ranged from 2.3 plus or minus 1.2 to 0.9 plus or minus 0.4 parts per billion (ppb) from dry savannas to forests, representing a north-south gradient. In dry savannas, we observe two concentration peaks of NO2 appearing at the beginning and the end of the wet season both for ground-based and satellite measurements, whereas at wet savannas and forest sites, NO2 concentrations are highest in the dry season. The seasonality of surface NO2 observations provide further evidence for a large role of microbial soil NOx emissions in dry savannas and of biomass burning NOx emissions in wet savanna and forest sites. Mean annual HNO3 concentrations ranged from 0.4 to 0.5 ppb in dry and wet savannas to 0.2 to 0.3 ppb in forest. In dry ecosystems, higher HNO3 concentrations are measured in the early wet season, consistent with NO2 results. The analysis of a long-term dataset of surface O3 concentrations indicates that HNO3 production can mainly be explained by the photo-oxidation of NOx. Mann-Kendall and Seasonal Kendall statistical tests showed that NO2 surface concentrations have a significant decreasing seasonal and annual trends at multiple sites (p-value less than 0.05) ranging from -2.96 percent per year (at Zoétélé) to -0.64 percent per year (at Banizoumbou). HNO3 results indicate no trends except at Bomassa (1.07 percent per year). The decreasing NO2 ground-based concentration trends observed in wet savannas sites are correlated with OMI NO2 decreasing trends at these sites. Trends obtained for NO2 concentrations in wet savanna and forest ecosystems are consistent with trends of NOₓ biomass burning emissions.

Trends↗
NASA NTRS2019

A Third-Generation Swirl-Venturi Lean Direct Injection Combustor with a Prefilming Pilot Injector

This paper presents experimental results for a low-NOxaero gas turbine combustor, in particular, a third-generationswirl-venturi lean direct injection (SV-LDI-3) combustor conceptcalled V4. The purpose of testing was three-fold. First,to evaluate the combustor against the 80% NOx reduction goalset by NASA’s AATT project. Second, to compare V4 to a previousSV-LDI-3 combustor concept called V3, especially at lowpower conditions. Third, to examine the accuracy of a type ofcorrelation equation frequently used by engine systems analysisgroups to estimate NOx emissions. All three testing goals weremet. For the first testing goal, with an estimated NOx reductionof 85%-90%, SV-LDI-3 V4 surpassed the AATT goal. For thesecond goal, however, V4 did not perform better than V3 at lowpower conditions. For the third goal, it was found that a majorassumption of the correlation equations — a simple dependenceon combustor inlet pressure — did not hold.

Tacina, K. M.↗
NASA NTRS2021

Design Guidelines for Swirl-Venturi Fuel-Air Mixers for Lean Direct Injection Combustors

Design guidelines for aircraft gas turbine combustors are provided based on the swirl-venturi lean direction injection (SVLDI) scheme. The guidelines are developed through a combination of literature review and internal research at NASA GRC that sought to develop an understanding of how LDI geometry affects NOx emissions, minimum stable f/a, and combustion dynamics. Key objectives are to improve low power operability by reducing the fuel/air ratio achievable with the SV-LDI concept and to reduce NOx emissions for both the subsonic landing-takeoff cycle and supersonic cruise conditions. The design of any combustion system will be a set of compromises between flame stability and decreasing combustion emissions. This document is to serve as a guide for selecting the best options given the overall mission. This document is organized as follows. In section 1, we introduce and describe the SV-LDI concept as a way to reduce NOx emissions. Section 2 provides descriptions of the individual components that make up a single swirl-venturi LDI element — the venturi, swirler, and fuel injector and their primary purposes. Considerable focus is applied to how changes on the air side components affect the flow field. Section 3 examines variations within a single SV-LDI element swirler: blade thickness, presence of a diffuser section, position of fuel nozzle, et cetera. We include examples from the literature to emphasize key aspects of these changes. In Section 4 we consider the interaction of a single element with the combustion chamber and with neighboring elements. In Section 5, we look at fuel staging effects on emissions, combustion efficiency, and combustion dynamics. Throughout these sections, we will highlight any findings we consider universal, and in Section 6 we consolidate those findings to provide guidelines for use in SV-LDI designs.

gas turbine combustion↗
NASA NTRS2021

Impact of Regional Northern Hemisphere Mid-latitude Anthropogenic Sulfur Dioxide Emissions on Local and Remote Tropospheric Oxidants

The unintended consequences of reductions in regional anthropogenic sulfur dioxide (SO2) emissions implemented to protect human health are poorly understood. SO2 decreases began in the 1970s in the US and Europe and are expected to continue into the future, while recent emissions decreases in China are also projected to continue. In addition to the well-documented climate effects (warming) from reducing aerosols, tropospheric oxidation is impacted via aerosol modification of photolysis rates and radical sinks. Impacts on the hydroxyl radical and other trace constituents directly affect climate and air quality metrics such as surface ozone levels. We use the Geophysical Fluid Dynamics Laboratory Atmospheric Model version 3 nudged towards National Centers for Environmental Prediction (NCEP) reanalysis wind velocities to estimate the impact of SO2 emissions from the US, Europe, and China by differencing a control simulation with an otherwise identical simulation in which 2015 anthropogenic SO2 emissions are set to zero over one of the regions. Springtime sulfate aerosol changes occur both locally to the emission region and also throughout the Northern Hemispheric troposphere, including remote oceanic regions and the Arctic. Hydroperoxy (HO2) radicals are directly removed via heterogeneous chemistry on aerosol surfaces, including sulfate, in the model, and we find that sulfate aerosol produced by SO2 emissions from the three individual northern mid-latitude regions strongly reduces both HO2 and hydroxyl (OH) by up to 10 % year-round throughout most of the troposphere north of 30∘ N latitude. Regional SO2 emissions significantly increase nitrogen oxides (NOx) by about 5 %–8 % throughout most of the free troposphere in the Northern Hemisphere by increasing the NOx lifetime as the heterogeneous sink of HO2 on sulfate aerosol declines. Despite the NOx increases, tropospheric ozone decreases at northern mid-latitudes by 1 %–4 % zonally averaged and by up to 5 ppbv in summertime surface air over China, where the decreases in HO2 and OH suppress O3 production. Since 2015 anthropogenic SO2 emissions in China exceed those in the US or Europe, the oxidative response is greatest for the China perturbation simulation. Chemical effects of aerosols on oxidation (reactive uptake) dominate over radiative effects (photolysis rates), the latter of which are only statistically significant locally for the large perturbation over China. We find that the SO2 emissions decrease in China, which has yet to be fully realized, will have the largest impact on oxidants and related species in the Northern Hemisphere free troposphere compared to future decreases in Europe or the US. Our results bolster previous calls for a multipollutant strategy for air pollution mitigation to avoid the unintended consequence of aerosol removal leading to surface ozone increases that offset or mask surface ozone gains achieved by regulation of other pollutants, especially in countries where current usage of high-sulfur emitting fuels may be phased out in the future.

anthropogenic sulfur dioxide emissions↗
NASA NTRSDate not supplied

Global Burden of Tropospheric Ozone: Effects of Particulate Nitrate Photolysis and Assimilation of NO2 Measurements

Tropospheric ozone is a major pollutant, a greenhouse gas, and the primary source of the hydroxyl radical. It is largely produced in situ from the oxidation of CO and volatile organic compounds in the presence of nitrogen oxides (NOx=NO+NO2). Global atmospheric chemistry models generally underestimate NOx and CO concentrations in the northern hemisphere away from source regions, which would lead to an underestimate in the tropospheric ozone burden. Here we evaluate the tropospheric ozone simulation in the GEOS-Chem model (version 14) using observations from satellite, aircraft, and ozonesondes. We include GEOS-Chem simulations conducted in the standard offline mode, as well as in the online mode within the NASA GEOS earth system model which forms the basis for the GEOS Composition Forecasts (GEOS-CF). In both configurations, GEOS-Chem underestimates ozone concentrations in the northern midlatitude free troposphere in spring and summer. We find that we can improve the ozone simulation by including an additional NOx source over the oceans from particulate nitrate photolysis on sea salt aerosols at rates inferred from field studies over the Atlantic Ocean. We investigate whether further improvements in the ozone simulation can be achieved by assimilating satellite measurements of NO2 from the Ozone Monitoring Instrument (OMI) and CO from the Measurement of Pollution in the Troposphere (MOPITT) instruments.

tropospheric ozone↗
NASA NTRSDate not supplied

CFD Evaluation Of Sustainable Aviation Fuel Blends for Commercial Supersonics Technology

An overview is provided of a CFD study on the impacts of fuel blends on NOx emissions and flame structure in an axially staged combustor operating at a supersonic cruise condition. The Open version of the National Combustion Code (OpenNCC) was used to perform two-phase reacting flow computations with various blending ratios of an ‘average’ Jet-A (A2) and Gevo Alcohol-to-Jet (C1) for RTRC’s Axially Controlled Stoichiometry (ACS) combustor. The predicted flame structures in the ACS combustor with three different blending ratios of the A2 and C1 fuel were very similar. The predicted NOx emissions for all fuel blends were within 10% of the experimentally measured range of NOx emissions for 100% A2 fuel.

gas turbine combustion↗
NASA NTRSDate not supplied

CFD Evaluation of Sustainable Aviation Fuel Blends for Commercial Supersonics Technology

An overview is provided of a CFD assessment with advanced fuel blends to assess fuel impacts on NOx emissions and flame structure in an axially-staged combustor for NASA’s Commercial Supersonic Transport (CST) Program. The National Combustor Code (OpenNCC) was used to perform two-phase reacting flow computations with various blending ratios of two different aviation fuels, ‘average’ Jet-A (A2) and GEVO-ATJ (C1), for UTRC’s Axially Controlled Stoichiometry (ACS) combustor at CST cruise conditions. The predicted flame structures in the ACS combustor with three different blending ratios of A2 and C1 fuel were very similar to each other. The predicted NOx emissions for all fuel blends were within 10% of the experimentally measured NOx emissions for 100% A2 fuel.

Gas Turbine Combustion↗
NASA NTRSDate not supplied

Combustor Emissions Modeling of Sustainable Fuels for Commercial Supersonics Technology

An overview is provided of a CFD assessment with Jet-A replacement fuels and advanced fuel blends to assess fuel impacts on NOx emissions and flame structure in an axially-staged combustor for NASA’s Commercial Supersonic Transport (CST) program. The National Combustor Code (OpenNCC) was used to perform two-phase reacting flow computations with two replacement fuels for Jet-A, and various blending ratios of ‘average’ Jet-A (A2) and GEVO-ATJ (C1), for UTRC’s Axially Controlled Stoichiometry (ACS) combustor at CST cruise conditions. The predicted flame structures in the ACS combustor with for the replacement fuels, and for three different blending ratios of A2 and C1 fuel were very similar to each other. The predicted NOx emissions for the two replacement fuels, and three blending ratios of A2 and C1 were within 15% of the experimentally measured NOx emissions for 100% A2 fuel.

Gas Turbine Combustion↗
DOE OSTI2021

Clean and High-Efficiency Natural Gas Furnace with Advanced Acidic Gas Trap Technology

Ccurrent natural gas condensing furnaces generate substantial acidic condensate and SOx/NOx/CO/HC/methane emissions, causing long-term environment issues related to air, water and soil. Acidic condensate occurs when flue gases within the furnaces cool down below the dew points of acidic gases, which upon condensation, combine with water vapor to produce acidic solutions. The acidic condensate causes serious corrosion and fouling problems in natural gas condensing furnaces. This paper presents a novel solution to use an advanced adsorption technology based on monolithic acidic gas trap (AGT) adsorbers for SOx trapping, NOx redox, and formic acid/CO/HC/methane oxidation, enabling a new natural gas furnace with utra-clean flue gas and neutral condensate. When the AGT adsorber is appropriately integrated with natural gas furnaces, the acidic gases of SOx, NOx and formic gas/CO/HC will be continuously adsorbed, redoxed or oxidized, respectively, from the flue gas during a regular heating season, except for occasional regeneration activities for SOx trapping. In the paper, we present results from a prototype furnace employing the novel AGT component, which enables a pH of the condensate =7, NOx emissions of 1-2 nanograms/joule and an annual fuel utilization efficiency (AFUE) of 96%, providing a cost-effective technology for condensing furnaces that is eco-friendly to the environment.

Gao, Zhiming↗
DOE OSTI2025

Optimization of a Secondary Air Injector for a Rich-Quench-Lean (RQL) Ammonia Combustor Using Computational Fluid Dynamics

Ammonia has emerged as a promising medium for moving hydrogen around the globe due to its energy density, existing infrastructure for production, transportation, and storage, and multiple applications from fertilizer to power generation. However, one of the most significant challenges with ammonia combustion for power generation is the formation of nitrogen oxides (NOx) during combustion. Several combustion strategies have been developed to minimize the formation of NOx. One such strategy, known as rich-quench-lean (RQL), is a method that combusts NH3 in a fuel-rich environment, followed by a quick mix section and a lean burnout section. Rapid mixing of secondary air before lean burnout is thought to be important to minimize the formation of NOx. A genetic algorithm (GA) is used to parametrically vary the secondary air injector design, including the diameter, count, and angles over a constrained design space. The designs are evaluated using a non-reacting OpenFOAM model, with the objective function being the uniformity index of the secondary air (modeled as a scalar). Optimization campaigns show that traditional correlation-based designs might not be adequate. After running 414 OpenFOAM models, the optimal design is 32, 1 mm diameter, angled air injectors, increasing the uniformity index at the outlet of the quick mix zone by 36.8%. The most promising designs will be manufactured and tested in a small RQL burner setup, which is expected to lead to validation and insight into the practical usage of NH3 combustion for power generation.

ammonia combustion↗
DOE OSTI2025

An experimental and numerical investigation of HD diesel engine DOC efficiency in oxidizing NO to NO 2

Reducing pollutant emissions from heavy-duty (HD) diesel engines is critical due to their significant environmental impact, particularly concerning NOx emissions. Understanding and optimizing modern diesel oxidation catalyst (DOC) and selective catalytic reduction (SCR) performance is essential for improving exhaust aftertreatment (EAT) system efficiency to meet stringent emissions regulations. The oxidation of nitric oxide (NO) to nitrogen dioxide (NO 2 ) in DOC plays a key role in improving SCR efficiency in reducing NO x . This study investigates the DOC performance in oxidizing NO to NO2 and its impact on the SCR efficiency of a 2021 MY Navistar E39 HD diesel engine. The influence of engine speed, load, exhaust gas temperature, and composition on DOC efficiency is experimentally investigated. The relationships between DOC inlet temperature, oxygen availability and NO 2 /NO x ratio at the DOC inlet are examined to better understand their effects on the overall DOC efficiency. The results indicate that DOC NO oxidation efficiency is highly dependent on exhaust temperature, with optimal oxidation occurring within a specific temperature range (275-350°C). Below this threshold, the chemical reactions are kinetically limited, while at higher temperatures, thermodynamic constraints reduce the efficiency of DOC in oxidizing NO to NO 2 . The experimental data further reveal that the NO 2 /NO x ratio peaks at medium loads before declining at higher loads due to reduced residence time and mass transfer effects. Additionally, the SCR NO x conversion efficiency is significantly influenced by the NO 2 /NO x ratio, achieving peak performance when the NO 2 /NO x ratio approaches 0.5. A DOC chemistry model was developed and validated against the experimental data to predict DOC oxidation behavior under various operating conditions. The findings of this study provide insights into the interdependencies between DOC and SCR performance, contributing to the optimization of SCR systems for optimized NOx reduction.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

A Modeling Study on Ammonia and Ammonia/Hydrogen Kinetics for Gas Turbine Engines

The use of ammonia as a fuel source in gas turbine engine power cycles represents an attractive means to decarbonize the energy sector due to higher energy density and achieving liquid state at far lower pressures compared to pure hydrogen. However, due to low flammability and a propensity for high NOx emissions, its use is not without challenge. Here, a number of 0D and 1D modeling tools were utilized to study the combustion characteristics of ammonia and ammonia/hydrogen mixtures, examining basic fundamental properties such as laminar flame speed, variability among existing chemical kinetic mechanisms, and considering the use of two-stage rich-lean combustion strategies to achieve low NOx emissions.

42 ENGINEERING↗
DOE OSTI2025

Pressure Gain, Stability, and Operability of Methane/Syngas Based RDEs Under Steady and Transient Conditions (Final Project Report)

The scope of this work addresses key issues associated with losses associated with the detonation wave and other processes internal to the RDE operation, as well as it develops modeling tools for the evaluation of these losses and exhaust emissions in RDEs. The main challenge in studying RDEs is that RDE performance is highly reliant on the specifics of the design so much so that simple/canonical systems alone cannot provide useful engineering information, but practical RDE designs are sufficiently complex and involve extreme operational environments that detailed access either experimentally (laser diagnostics, for instance) or computationally (direct numerical simulations) are as yet to become practical. To overcome this challenge, we have conducted a combined experimental/simulation/analytical study investigating key phenomena that control the characteristics of operation of RDEs. As a result, the study has developed tools and methods that can be used to evaluate performance and design approaches using reduced-physics models, with the assumptions validated using detailed simulations, and the model prediction tested using experimental observations. The specific objectives of the research were: (1) Develop and demonstrate a low-loss fully axial injection concept, taking advantage of stratification effects to alter the detonation structure and position the wave favorably within the combustor; (2) Obtain stability and operability characteristics of an RDE across operating conditions to aid in the development of operability and performance rules for the operations of other systems; and (3) Develop quantitative metrics for performance gain as well as quantitative description of the loss mechanisms through a combination of diagnostics development, reduced-order modeling, and detailed simulations. The work conducted here has made contribution on design of low-loss inlets that has broad application within the power generation industry for use with pressure gain combustion. The operability and stability of different designs, while focusing on axial air inlet designs, has been analyzed. The effect of nozzle and injection conditions was studied. Models and simulations of exhaust emissions, focusing on NOx emission has been developed and used to investigate how operation of the RDE affect NOx production using Lagrangian analysis of RDE simulations. This work has built on previous programs, with the goal of further understanding operation of RDEs and elevate the readiness of design consideration. In addition, a suite of diagnostic and modeling tools have been developed to obtain quantitative metrics on performance based on measurements, which can be readily transferred to other experimental configurations.

08 HYDROGEN↗
DOE OSTI2022

Emissions Merit Function for Evaluating Multifunctional Catalyst Beds

With emission control regulations getting stricter, multi-functional catalyst systems are increasingly important for low-temperature operation. We investigate a wide range of multi-component catalyst systems, as physical mixtures and in multi-bed configurations, while varying the ratios of hydrocarbon traps (HCT), passive NOx adsorbers (PNAs), and diesel oxidation catalysts (DOC). Using industrially guided protocols, we measured the ability of these complex catalyst systems to reduce emissions during a 40 °C/min temperature ramp to simulate cold-start conditions. Using a temperature boundary condition of 250 °C, the average conversion was calculated for each regulated pollutant: CO, NOx, and total hydrocarbons (THC). An emissions merit function was developed to evaluate the effectiveness of each system relative to the relevant emission standards and expected engine exhaust concentrations. This merit function identified that a 1:1:4 ratio of PNA:HCT:DOC was the most effective emissions reduction configuration and had similar reactivity as a physical mixture or as a PNA→HCT→DOC multi-bed reactor.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗