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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Potential dependent spectroelectrochemistry of electrofluorogenic dyes on indium–tin oxide

Indium-tin oxide (ITO) is used in a variety of applications due to its electrical conductivity and optical transparency. Moreover, ITO-coated glass is a common working electrode for spectroelectrochemistry. Thus, the ITO substrates should exhibit well-understood spectroscopic characteristics. Here, we report anomalous potential-dependent luminescence emission from three structurally dissimilar electrofluorogenic probe on ITO-coated glass. The three probes, flavin mononucleotide, resorufin, and Nile blue, show the expected fluorescence modulation between their oxidized, emissive forms and their reduced, nonfluorescent forms at low laser irradiance and/or high concentrations. However, at high irradiance and/or low concentration, the emission intensity increases at reducing potentials, contrary to expectations. In addition, a strong interplay between probe molecule concentration and laser irradiance is observed. We attribute the anomalous behavior to a combination of (1) irradiance-dependent ITO carrier dynamics, and (2) interaction of the fluorescent probe with ITO at reducing potentials resulting in a charge transfer state with altered emission behavior. Thus, the potential- and irradiance-dependent behavior of ITO and the resulting charge transfer state may not only interfere with the observation of potential-dependent fluorescence from redox probes but can completely reverse the polarity of the potential-dependent luminescence, especially at high irradiance and low concentration.

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

Physics prospects with MeV neutrino-argon charged current interactions using enhanced photon detection in future LArTPCs

Here, we investigate MeV-scale electron neutrino charged current interactions in a liquid argon time projection chamber (LArTPC) equipped with an enhanced photon detection system. Using simulations of deposited energy in charge and light calorimetry, we explore the potential for dual calorimetric neutrino energy reconstruction. We found energy reconstruction based on light-only calorimetry has a better resolution than combined charge and light calorimetry when hadrons are produced in these events. Meanwhile, enhanced light detection offers improved nanosecond timing resolution and broad optical coverage, enabling neutron tagging and identification of delayed low-energy gamma emissions. These advancements open new avenues in low-energy neutrino physics in next-generation LArTPCs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

The role of local shipping emissions in aerosol-cloud interactions in the central Arctic

Arctic shipping is projected to increase as sea ice retreats, yet the impact of modern low-sulfur ship emissions on Arctic clouds and radiation remain poorly constrained. We use year-long in situ observations from the MOSAiC expedition to characterize ship-aerosol-cloud interactions for an icebreaker burning ultra-low sulfur fuel (0.1% mass per mass). Exhaust plumes were found to be strongly enriched in Aitken-mode particles, organic aerosol, and black carbon, but showed no detectable enhancement in particulate sulfate. Despite reduced hygroscopicity relative to ambient aerosols, ship emissions substantially increased local cloud condensation nuclei concentrations. A droplet activation parameterization was applied to quantify responses in cloud droplet number concentration ( N d ) to ship-induced perturbations in low-level Arctic clouds. In winter, abundant background accumulation-mode particles from Arctic haze supplied nearly all cloud droplets, while additional particles from ship emissions had little impact on N d . In contrast, during summer months, when unperturbed background aerosol concentrations are low, ship emissions nearly doubled N d compared to average background conditions and increased N d by a factor of five compared to very clean background conditions (25th percentile of background aerosol number concentrations). Longwave radiative transfer simulations for typical conditions of summer Arctic low-level clouds/fog suggest that these ship-induced increases in N d locally (i.e. <100 km downwind) lead to enhanced net surface longwave fluxes and consequent warming, primarily for optically thin clouds (liquid water path (LWP) ⩽ 30 g·m −2 ). For LWP = 10 g · m −2 , ship emissions lead to an increase of 1 W · m −2 in cloud longwave forcing at the surface compared to average unperturbed conditions (+7% relative increase), and up to 4 W · m −2 when compared to very clean background conditions (+22% relative increase). Even ultra-low sulfur fuel emissions can therefore locally and episodically modify Arctic cloud microphysics and radiative properties, especially during summer, implying that future increases in Arctic shipping could have non-negligible regional climate impacts.

Arctic↗
DOE OSTI2023

Poly(oxymethylene) Ethers as a High Cetane, Low Sooting Biofuel Blendstock for Use in Medium to Heavy Duty Mixing Controlled Compression Ignition Engines

Compression ignition (CI) engines are currently the most common prime mover for medium and heavy duty vehicles; these engines contribute roughly a quarter of US greenhouse gas emissions from transportation, and even higher percentages of particulate and nitrogen oxide emissions. As a result, there have been significant efforts made to reduce these emissions, particularly through selection of low-emissions alternative fuels. Oxymethylene ethers (OMEs) are a class of molecule, typically structured R-O-(CH2O)n-R', which have been considered as a possible blendstock in CI fuels for the goal of soot reduction. Generally, past work has focused on methyl-terminated OMEs, CH3-O-(CH2O)n-CH3, which by virtue of containing no C--C bonds, produce negligible soot. These molecules show significant reductions in soot emission from engines when blended in moderate to high ratios with traditional diesels, however, they have been shown to have inferior physical properties and poor compatibility with some legacy systems. Recent theoretical work has shown that OMEs with non-methyl alkyl groups may have superior performance, albeit at the cost of increased soot formation. In this work, a variety of OMEs with terminating alkyl groups from methyl to butyl are considered for their suitability as CI fuels. The synthesis of these extended OMEs is studied, including formation of n=1 OMEs from common chemical sources, and extension of the chain length to heavier molecules, via reactions over acidic ion exchange resins. Following the synthesis, the properties of these OMEs are studied with respect to their engine applicability. It is found that heavier (propyl- and butyl-terminated) OMEs have superior properties for diesel compatibility, particularly in reactivity, volatility, and water solubility. Extended-alkyl OMEs are found to have higher soot production than methyl-terminated OMEs, but remain superior to diesel soot production on a per-unit-energy basis. A sample of a butyl-terminated OME mixture, n=2-4, is selected as the ideal OME blend for close compatibility with legacy diesel systems. This mixture is blended with certified diesel and tested for ASTM D975 compatibility, passing all required tests but lubricity; decreased heat of combustion is observed but not governed by the diesel standard. Fundamental combustion tests of various mid-weight OMEs are performed in a rapid compression machine, where it is shown that low-temperature chemistry causes a region of decreased dependence of ignition delay on temperature, consistent with methyl-terminated OME behavior. An isopropyl-terminated OME is observed to have low reactivity compared to other OMEs; this fuel is investigated via further rapid compression machine testing and CFR engine testing. It is found that this OME has strong negative-temperature-coefficient ignition behavior - a first for OMEs - and has reactivity lower than other OMEs, but insufficient for direct spark ignition engine testing.

09 BIOMASS FUELS↗
DOE OSTI2023

Mass spectrometry and spectroscopic characterization of a tetrameric photosystem I supercomplex from Leptolyngbya ohadii , a desiccation-tolerant cyanobacterium

Cyanobacteria inhabiting desert biological soil crusts face the harsh conditions of the desert. They evolved a suite of strategies toward desiccation-hydration cycles mixed with high light irradiations, etc. In this study we purified and characterized the structure and function of Photosystem I (PSI) from Leptolyngbya ohadii, a desiccation-tolerant desert cyanobacterium. We discovered that PSI forms tetrameric (PSI-Tet) aggregate. We investigated it by using sucrose density gradient centrifugation, clear native PAGE, high performance liquid chromatography, mass spectrometry (MS), time-resolved fluorescence (TRF) and time-resolved transient absorption (TA) spectroscopy. MS analysis identified the presence of two PsaB and two PsaL proteins in PSI-Tet and uniquely revealed that PsaLs are N-terminally acetylated in contrast to non-modified PsaL in the trimeric PSI from Synechocystis sp. PCC 6803. Chlorophyll (Chl) a fluorescence decay profiles of the PSI-Tet performed at 77 K revealed two emission bands at ∼690 nm and 725 nm with the former appearing only at early delay time. The main fluorescence emission peak, associated with emission from the low energy Chls a, decays within a few nanoseconds. TA studies demonstrated that the 725 nm emission band is associated with low energy Chls a with absorption band clearly resolved at ∼710 nm at 77 K. As a result, our work suggests that the heterogenous composition of PsaBs and PsaL in PSI-Tet is related with the adaptation mechanisms needed to cope with stressful conditions under which this bacterium naturally grows.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Experimental and numerical investigation of flame stabilization and pollutant formation in matrix stabilized ammonia-hydrogen combustion

Ammonia (NH 3 ) is a carbon-free fuel that offers an attractive alternative for reducing greenhouse gas emissions. However, the slow flame speed, low heating value, and emissions of nitrogen-containing pollutants present significant issues for practical combustion applications. To address these issues, we investigate the use of matrix stabilized combustion. In this type of burner, combustion is performed within an inert porous ceramic foam, heat is recirculated by solid conduction and radiation, which enhances flame speed and combustion stabilization, thereby permitting combustion over a wide range of equivalence ratio conditions. We present a new porous media burner (PMB) capable of stabilizing NH 3 /air flames at ambient conditions. An extensive experimental characterization of the stability of this burner is conducted with up to 30% by volume of hydrogen (H 2 ) in the fuel stream. A 15:1 turndown ratio is demonstrated, with a high thermal power density of 62 MW m -3 . Concentrations of NO, unburnt NH 3 , and H 2 in the exhaust stream are measured. Two regimes are identified for low NO operation: rich and very lean. For rich conditions, NO emissions decrease with increasing equivalence ratio and decreasing H 2 blending. Unburnt NH 3 emissions follow opposite trends. These measurements are complemented by simulations in which the burner is represented by a coupled solid-gas reactor network. In conclusion, this model captures the burner’s pollutant emissions to good accuracy and is used to analyze the mechanisms of pollutant formation.

42 ENGINEERING↗
DOE OSTI2023

Grid-Integrated Production of Fischer-Tropsch Synfuels from Nuclear Power

Idaho National Laboratory (INL) investigates the relative economic profitability of an integrated energy system (IES) coupling an NPP with a synfuel production process at selected case study locations across the United States. In the synfuel IES, a high-temperature steam electrolysis (HTSE) plant is thermally and electrically coupled with an NPP to produce zero-carbon hydrogen. The synthetic fuel is produced from this H 2 combined with a CO 2 supply using the reverse water gas shift process followed by the Fischer-Tropsch (FT) reaction. This analysis considers a system in which the CO 2 is sourced from regional CO 2 emitters via the construction and operation of pipeline-based CO 2 supply networks. Locating the FT plant at the same site as the NPP and HTSE plants enables the NPP to provide zero-carbon heat and power to the HTSE plant and zero-carbon power to the FT plant as well as avoid the requirement for long-distance H 2 product transport from the HTSE plant to the FT plant. Hydrogen storage is used to enable the NPP to dispatch power to the electrical grid (instead of the HTSE plant) when grid demand increases, thus enabling the FT plant to continue to operate in a steady-state production mode. The ability to cease hydrogen production for several hours within each day enables the NPP to provide power to the grid to balance the electricity market during peak periods and maximize revenues for the nuclear synfuel IES. The FT process design considered has a 99% carbon conversion efficiency. The use of nuclear energy and nuclear energy-derived hydrogen enables synfuel production to achieve this high level of carbon utilization. Additionally, the life-cycle carbon emissions of the nuclear-based synfuel production process are very low, with WTW emissions of approximately 25 gCO 2 e/MJ, including steam credits (generated from FT process excess heat), and approximately 7 gCO 2 e/MJ, if steam credits are excluded. This compares favorably with the WTW emissions of 90.5 gCO 2 e/MJ for a compression-ignition, direct injection (CIDI) vehicle with a fuel economy of 31.6 miles per gallon gasoline equivalent (MPGGE), using low-sulfur diesel produced using conventional petroleum production and refining processes. Several NPPs in various regions of the U.S. are considered as case study analyses. Supply locations and transportation via pipeline of the CO 2 feedstock to the NPP site are analyzed through the National Energy Technology Laboratory (NETL) CO 2 Transport Cost model. The team finds that the amount of CO 2 generated by different sectors is sufficient for the synfuel production process at all locations considered. The CO 2 transportation costs are functions of the distance of the source to the NPP location, the CO 2 capture cost at the source, and the quantity of CO 2 transported. Historical electricity prices for the NPP case study locations are collected and analyzed. Monthly average prices, price range, and duration of negative-price periods vary among these locations. For each location, an auto-regressive moving average (ARMA) model is trained on historical electricity price data. ARMA validation is done to ensure the synthetic price distributions represent one of historical prices with high fidelity. Synthetic time series from these ARMA models are used in a coupled dispatch and system optimization in the Holistic Energy Resource Optimization Network (HERON) to compute the differential net present value (NPV) of the IES. The team finds that this econometric is positive, ranging from $14M–1.3bn (2020) depending on the location. The optimal synfuel IES configuration to obtain this increase in NPV often maximizes the size of the synfuel production process with regards to the size of the NPP. However, the team shows that the NPP still plays a stabilizing role for the grid: In periods of high prices and high loads, more electricity from the NPP is sent to the grid. A high variability of electricity prices and extreme maximum prices tend to drive up electricity production. While it requires significant investment, the synfuel IES could increase the economic profitability for the existing fleet of LWRs across the country while still maintaining the grid stabilizer role of NPPs. During its lifetime, the main costs for the nuclear synfuel IES are the carbon feedstock transportation costs, followed by the capital expenses (CAPEX) and operation and maintenance (O&M) costs while the revenue comes first from the IRA H 2 production tax credit (PTC) and then from the sales of synfuel products. The profitability of the synfuel IES is most sensitive to the value of the hydrogen PTC and the synfuel products as well as the cost of the carbon feedstock, highlighting the importance of governmental incentives regarding hydrogen, carbon emissions, and synfuel in driving the deployment of future nuclear synfuel IESs.

08 HYDROGEN↗
DOE OSTI2024

Fundamental optical transitions in hexagonal boron nitride epilayers

Fundamental optical transitions in hexagonal boron nitride (h-BN) epilayers grown on sapphire by metal–organic chemical vapor deposition (MOCVD) using triethylboron as the boron precursor have been probed by photoluminescence (PL) emission spectroscopy. The low temperature (10 K) PL spectrum exhibits two groups of emission lines. The first group includes the direct observation of the free exciton and impurity bound exciton (BX) transitions and phonon replicas of the BX transition, whereas the second group is attributed to the direct observation of the band-to-band transition and its associated phonon replicas. The observations of zero-phonon lines of the band-to-band and exciton transitions, which are supposedly forbidden or “dark” in perfect h-BN crystals, result from a relaxed requirement of momentum conservation due to symmetry-breaking in the presence of high concentrations of impurities/defects and strain, which in turn provided more deterministic values of the energy bandgap (E g ), exciton binding energy (E x ), and binding energy of impurity bound excitons (E BX ) in h-BN epilayers. Excitonic parameters of h-BN epilayers grown by MOCVD, carbon-free chemical vapor deposition, and high purity h-BN bulk materials are compared and discussed. The present results, together with available information in the literature, represent a significant improvement in the understanding of the fundamental optical properties and excitonic parameters of h-BN ultrawide bandgap semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Observation of second harmonic electron cyclotron resonance heating and current-drive transition during non-inductive plasma start-up experiment in QUEST

Here, noninductive plasma current start-up using 2nd harmonic electron cyclotron resonance heating (ECRH) with oblique radio frequency (RF) injection is demonstrated in a Q-shu University experiment with steady-state spherical tokamak. A strong transition was observed in the heating and plasma current ramp-up. The initial bulk electron heating regime exhibits T ebulk ~ 140 eV and no hard x-ray (HXR) emission with a low I p of ~15 kA; it abruptly transitions to a regime that exhibits a low T ebulk of ~10 eV and a strong HXR emission with a high I p of ~50 kA. This behavior is distinctly different from that observed in previous fundamental ECRH experiments. The mechanism of the heating and current drive transition are investigated considering wave power absorption and plasma power balance. The results indicate that the transition is caused by the favorable heating of tail electrons where the RF power absorption at the 2nd harmonic increases nearly linearly with T etail , while the power transfer from the tail electrons to the bulk electrons decreases with 1/T etail 0.5 . This causes a rapid transition to a state with high T etail while reducing T ebulk towards colder ion temperature. The understanding of the transition mechanism helps to consider plasma current start-up using 2nd harmonic ECRH for tokamak reactors such as JT-60 SA and ITER.

QUEST↗
DOE OSTI2021

Influence of Fuel Properties on Gasoline Direct Injection Particulate Matter Emissions Over First 200 s of World-Harmonized Light-Duty Test Procedure Using an Engine Dynamometer and Novel “Virtual Drivetrain” Software

Abstract The influence of fuel properties on particulate matter (PM) emissions from a catalytic gasoline particulate filter (GPF) equipped gasoline direct injection (GDI) engine was investigated using novel “virtual drivetrain” software and an engine mated to an engine dynamometer. The virtual drivetrain software was developed in labview to operate the engine on an engine dynamometer as if it were in a vehicle undergoing a driving cycle. The software uses a physics-based approach to determine vehicle acceleration and speed based on engine load and a programed “shift” schedule to control engine speed. The software uses a control algorithm to modulate engine load and braking to match a calculated vehicle speed with the prescribed speed trace of the driving cycle of choice. The first 200 s of the World-harmonized Light-duty Test Procedure (WLTP) driving cycle was tested using six different fuel formulations of varying volatility, aromaticity, and ethanol concentration. The first 200 s of the WLTP was chosen as the test condition because it is the most problematic section of the driving cycle for controlling PM emissions due to the cold start and cold drive off. It was found that there was a strong correlation between aromaticity of the fuel and the engine-out PM emissions, with the highest emitting fuel producing more than double the mass emissions of the low PM production fuel. However, the post-GPF PM emissions depended greatly on the soot loading state of the GPF. The fuel with the highest engine-out PM emissions produced comparable post-GPF emissions to the lowest PM producing fuel over the driving cycle when the GPF was loaded over three cycles with the respective fuels. These results demonstrate the importance of GPF loading state when aftertreatment systems are used for PM reduction. It also shows that GPF control may be more important than fuel properties, and that regulatory compliance for PM can be achieved with proper GPF control calibration irrespective of fuel type.

Energy & Fuels↗
DOE OSTI2024

Scoping Study: Highly Enriched Uranium Isotopic Assessments Using Gamma Spectroscopy Relative Efficiency Analysis When No Uranium-232 Is Present

This report documents results for a scoping study evaluating the viability of using the higher energy, low yield U-235 gamma emission at 345.9 keV to link low energy U-235 emissions to high energy U-238 emissions (rather than U-232 decay products gamma emissions) for highly enriched uranium isotopic gamma spectroscopy relative efficiency assessments when no or little U-232 is present and the U-235 signal is strong.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Has Reducing Ship Emissions Brought Forward Global Warming?

Abstract Ships brighten low marine clouds from emissions of sulfur and aerosols, resulting in visible “ship tracks”. In 2020, new shipping regulations mandated an ∼80% reduction in the allowed fuel sulfur content. Recent observations indicate that visible ship tracks have decreased. Model simulations indicate that since 2020 shipping regulations have induced a net radiative forcing of +0.12 Wm −2 . Analysis of recent temperature anomalies indicates Northern Hemisphere surface temperature anomalies in 2022–2023 are correlated with observed cloud radiative forcing and the cloud radiative forcing is spatially correlated with the simulated radiative forcing from the 2020 shipping emission changes. Shipping emissions changes could be accelerating global warming. To better constrain these estimates, better access to ship position data and understanding of ship aerosol emissions are needed. Understanding the risks and benefits of emissions reductions and the difficultly in robust attribution highlights the large uncertainty in attributing proposed deliberate climate intervention.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Fuel recycling control in long pulse operation with full tungsten divertors in EAST tokamak

Fuel recycling control in long pulse discharges is studied in EAST tokamak with tungsten divertors by particle balance. Double null configuration, proper Resonant Magnetic Perturbation (RMP), divertor cryopumps and realtime lithium injection, are all very effective for recycling control. High heating power discharge leads to low recycling due to the enhancement of particle exhausting. High external gas injection is required in a low fuel recycling discharge to keep a constant density, and Dα emission is increased by external injection, therefore a higher Dα emission may indicate low fuel recycling for the same plasma density. Reproducible long pulse discharges of over 100 s with core electron temperature >10 keV, and 1056 s discharge with ~1.5 MW heating power were obtained in the EAST 2021 campaign, fuel recycling was well controlled by divertor cryopumps and realtime lithium injection. The results provide a valuable reference for the high power and long pulse operation in future fusion reactors, such as ITER and CFETR.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Developing a low-cost renewable supply of hydrogen with high-temperature electrochemistry

Abstract Producing inexpensive hydrogen using electricity to split water or to extract hydrogen from hydrocarbon compounds is a two-sided coin: one side is obtaining and exploiting low-cost, emissions-free energy sources while the opposite side is establishing low-cost robust, durable, and efficient materials for the conversion processes. This article explores the materials needed for water splitting electrolysis, electrochemical abstraction of hydrogen from light alkanes, and looping thermal-chemical reaction processes that typically form and then dissociate an acid compound in a two- or three-step process. The focus is on the R&D needs of materials that are used for high-temperature electrochemistry, focusing on solid-oxide, ion-conducting cell materials sets (SOECs). To exploit the availability of low-cost electricity, these materials must stand up to cyclic operations. They also must be durable for years of service to reduce operating and maintenance costs, and they must achieve high conversion efficiencies to avoid large, energy-intensive recycle loops. Graphical abstract

Boardman, Richard D.↗
DOE OSTI2024

Life-cycle analysis of hydrogen production from water electrolyzers

The United States' focus on decarbonization has spawned interest among policymakers in deploying water electrolysis technology for clean hydrogen production. However, water electrolyzers also raise concerns regarding their substantial use of carbon-intensive materials. Here, we conduct a comprehensive life-cycle analysis (LCA) of three prominent water electrolyzer technologies to investigate the environmental implications of their manufacturing and life cycles under different energy sources. All electrolyzer technologies employing low-carbon energy (nuclear, solar, or wind) exhibit life-cycle greenhouse gas (GHG) emissions of 0.3-2.4 kg-CO 2-eq /kg-H 2 . This is significantly lower than the corresponding GHG emissions for hydrogen production via both conventional steam methane reforming and alternative autothermal reforming with carbon capture and storage (by > 50%). The well-to-gate GHG emissions of low-carbon electrolyzers (0-0.36 kg-CO 2-eq / kg-H 2 ) qualify for Tier I of the production tax credit in the U.S.' Inflation Reduction Act of 2022, indicating their suitability for producing decarbonized hydrogen under this program.

08 HYDROGEN↗
DOE OSTI2023

Additive-Mixing Fuel Injection (AMFI): A device for robust control and improved performance of high-efficiency LTGC engines

Low-temperature gasoline combustion (LTGC) engines can provide high efficiencies with very low NOx and particulate emissions. Despite these major advantages, methods for controlling LTGC combustion timing, achieving robust autoignition, and good low-load performance have challenged the development of practical LTGC engines. A key reason is that the ideal reactivity of the fuel varies with operating conditions, with low-reactivity fuels working well at high loads and higher-reactivity fuels working better at low loads. This article introduces a new technique called Additive Mixing Fuel Injection (AMFI) that adjusts the reactivity of the gasoline to obtain good performance over the operating map. Moreover, AMFI can provide robust combustion-timing control because it precisely meters very small amounts (0.01–0.6 mm 3 ) of an ignition-enhancing additive into the fuel each engine cycle. The additive used was 2-ethylhexyl nitrate (EHN), a common, inexpensive diesel-fuel ignition improver, but other additives could be used. Because additive amounts are so small, a 2-gal reservoir would be sufficient for medium-duty applications with refilling only at service intervals of about 8000 mi. The AMFI system has been installed on a single-cylinder LTGC research engine and demonstrated to provide robust combustion-timing control over wide ranges of combustion phasing, fueling rate, intake boost, engine speed, and intake temperature. AMFI also increases the fuel’s reactivity sufficiently to greatly reduce or eliminate the need for charge heating, simplifying engine design and significantly increasing thermal efficiency and the maximum load at low-boost conditions. The nitrogen in the EHN produced a modest increase in NOx, but it was mitigated by lower intake temperatures, and NOx emissions remained very low. Finally, the additive increases the sensitivity of autoignition reactions to variations in the local fuel/air mixture within the charge. This allows the use of controlled fuel stratification for improved LTGC-engine performance, and its potential to improve low-load operation was demonstrated.

Dec, John E.↗
DOE OSTI2020

Autoignition of CRC diesel surrogates at low temperature combustion conditions: Rapid compression machine experiments and modeling

As federal programs require increasingly stringent engine emissions and fuel economy standards, these ambitions can only be met if next-generation combustion technology is developed focusing on high-efficiency and low-emissions engines. Recent research has indicated the need to operate engines at higher compression ratios and with low temperature combustion (LTC) to achieve the needed gains in engine efficiency and reductions in emissions. Because there is a lack of understanding of the chemistry of diesel fuel components and their mixtures at these LTC conditions, this limits the ability to develop predictive chemical kinetic models that can be used to optimize engine combustion. The current study aims to fill in gaps in fundamental combustion data on surrogate fuel mixtures relevant to diesel fuels. Specifically, four multicomponent diesel surrogates formulated by the Coordinating Research Council (CRC) to emulate an ultra-low-sulfur research-grade #2 certification diesel fuel (CFA), namely V0a (4 components), V0b (5 components), V1 (8 components), and V2 (9 components), have been investigated in a rapid compression machine (RCM) through determination of total and first-stage ignition delay times. Autoignition characteristics of lean to rich fuel/O 2 /N 2 mixtures, for the four CRC surrogates and CFA, have been measured using an RCM at LTC relevant pressures and temperatures, in the ranges of 10–20 bar and 650–1000 K, respectively. The equivalence ratios have been varied by independently changing the oxygen mole fraction and the fuel mole fraction in the test mixtures, thereby illustrating the individual effects of oxygen concentration and fuel loading on diesel autoignition. Autoignition results of these four CRC surrogates are compared among them and with those of CFA. Some degree of agreement in autoignition response between each CRC surrogate and CFA is observed, while discrepancies are also identified and discussed. In addition, a detailed chemical kinetic model for diesel surrogates has been developed and validated against these newly-acquired RCM data. We find that this model shows reasonable agreement with the overall ignition delay time results of the current RCM experiments. Chemical kinetic analyses of the developed model were further conducted to help identify the reactions controlling the autoignition processes and the consumption of fuel components in CRC surrogates.

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↗