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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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First-of-its-kind effort to understand full-scale multi-product biorefineries established upon co-solvent enhanced lignocellulosic fractionation (CELF) from an economic and environmental standpoint.
High-speed motion pictures were taken of fuel sprays injected into the combustion chamber of the N.A.C.A. combustion apparatus. Three fuels, ethyl alcohol, gasoline, and fuel oil, which differed considerably in volatility were tested. By maintaining the engine temperature below that required for ignition the spray could be studied from soon after the start of injection until 130 crank degrees later. The results show that the sprays vaporize appreciably so that it is possible for the ignition in high speed compression-ignition engines to take place from the vapor phase.
Thermal stability is an important characteristic of alternative fuels that must be evaluated before they can be used in aviation engines. This characteristic is of great importance to the effectiveness of the fuel as a coolant and to the engine's combustion performance. The thermal stability of Gevo fuel, an alcohol to jet fuel made from plant feedstock was studied. This analysis was used to make comments on the effectiveness of the current thermal stability test standard. This work was performed using a spectroscopic ellipsometer to measure the thickness of deposits left on aluminum substrates. It was observed that Gevo deposit thickness increased slowly up to 375 C and much more rapidly after that point. Similar behavior was observed in JP-8 fuel. Comparisons were also made between color standard ratings and ellipsometric thickness measurements, and it was found that in some cases, darker colors did not indicate thicker deposits. Reference tubes were used to validate the optical models used in this work, and different optical constants were found to best model the results than what are published in the ASTM D3241 test method for thermal stability.
A reduced toxicity fuel satellite propulsion system including a reduced toxicity propellant supply for consumption in an axial class thruster and an ACS class thruster. The system includes suitable valves and conduits for supplying the reduced toxicity propellant to the ACS decomposing element of an ACS thruster. The ACS decomposing element is operative to decompose the reduced toxicity propellant into hot propulsive gases. In addition the system includes suitable valves and conduits for supplying the reduced toxicity propellant to an axial decomposing element of the axial thruster. The axial decomposing element is operative to decompose the reduced toxicity propellant into hot gases. The system further includes suitable valves and conduits for supplying a second propellant to a combustion chamber of the axial thruster, whereby the hot gases and the second propellant auto-ignite and begin the combustion process for producing thrust.
Diesel-fueled engines still hold a large market share in the medium and heavy-duty transportation sector. However, the increase in fossil fuel prices and the strict emission regulations are leading engine manufacturers to seek cleaner alternatives without a compromise in performance. Alcohol-based fuels, such as ethanol, offer a promising alternative to diesel fuel in meeting regulatory demands. Ethanol provides cleaner combustion and lower levels of soot due to its chemical properties, in particular its lower level of carbon content. In addition, the stoichiometric operating conditions of alcohol fueled engines enable the mitigation of NOx emissions in aftertreatment stage. With the promise of retrofitting diesel engines to run on ethanol to reduce emissions, the thermal efficiency of these engines remains the primary optimization target. In order to find the optimal ethanol-fueled engine design that maximizes the thermal efficiency, a large design space needs to be investigated using engineering tools. In this study, previous research by the authors on optimizing the design of a single-cylinder ethanol-fueled engine was extended to explore the design space for a heavy-duty multi-cylinder engine configuration. A heavy-duty engine setup with multiple operating conditions at different engine speeds and loads were considered. A design optimization analysis was performed to identify the potential designs that maximize the indicated thermal efficiency in an ethanol-fueled compression ignition engine. First, a computational fluid dynamics (CFD) model of the engine was validated using experimental data for four drive cycle points. Using a design of experiments (DoE) approach and a parameterized piston bowl geometry, the model was then exercised to explore the relationship among geometric features of the piston bowl and spray targeting angle and indicated thermal efficiency across all tested operating conditions. After evaluating 165~candidate designs, a piston bowl geometry was identified that yielded an increase between 1.3 to 2.2 percentage points in indicated thermal efficiency for all tested conditions, while satisfying the operational design constraints for peak pressure and maximum pressure rise rate. The increased performance was attributed to enhanced mixing that led to the formation of a more homogeneous distribution of in-cylinder temperature and equivalence ratio, higher combustion temperatures, and shorter combustion duration. Finally, a Bayesian optimization (BOpt) analysis was employed to find the optimal piston bowl geometry with a fixed spray injector angle for one of the operating conditions. Using BOpt, a piston candidate was identified that resulted in a 1.9~percentage point increase in thermal efficiency from the baseline design, yet only required 65\% of the design samples investigated using the DoE approach.
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Soot formation is an intricate phenomenon, and soot propensity of a fuel is interwoven with the fuel composition, physical and chemical properties, and combustion environment. Here, the present study examines the hypothesis that in addition to the chemical composition of the fuel, the sooting nature of the fuel is closely coupled with its chemical property known as octane sensitivity (S). With this motivation, the present study numerically investigates the effects of gasoline surrogate composition and its property, octane sensitivity (S), on polycyclic aromatic hydrocarbons (PAHs) and soot emissions. Four-component toluene primary reference fuel (TPRF)–alcohol blends, comprising iso-octane, n-heptane, toluene, and one of the three different alcohols- methanol, ethanol, and n-butanol, are used as gasoline surrogates. A total of 320 TPRF–alcohol mixtures, with S in the range of 1–10, are examined under laminar counterflow diffusion flame conditions. A detailed chemical mechanism coupled with a comprehensive soot model, which includes reactions for soot inception, surface growth, PAH condensation, and oxidation, is adopted. The analysis indicates that the toluene content in the fuel mixture has a prominent effect, while the alcohol content and octane sensitivity of the fuel have a weak correlation with the PAHs and soot. Thus, it is not clear if any of these three variables, namely, toluene content in the fuel, alcohol content in the fuel, and S, are individually sufficient to characterize the PAHs and soot across various blends. For this reason, a new variable (X CHO ) based on the elemental composition of the fuel mixture is identified and it is shown that X CHO along with S of the fuel characterize soot emissions satisfactorily. Further, a reaction path analysis indicates that the efficacy of alcohols in reducing soot emissions follows the order: methanol > ethanol > n-butanol.
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Methanol is gaining interest in the marine sector from energy security and reducing emissions perspective. This study provides a comparative life cycle assessment of methanol as a marine fuel, across GHG and criteria air pollutant emission metrics, when it is used in a dual-fuel engine. Twelve methanol pathways from four different feedstock categories were considered, including (1) cellulosic biomass forest residues and clean pine mix, corn stover, switchgrass, and miscanthus; (2) organic wastes renewable natural gas from wastewater sludge, swine manure, food waste, and landfill gas; (3) fossil resources coal and natural gas (NG); and (4) e-methanol using captured carbon dioxide. When used in a dual-fuel engine with pilot fuel, life cycle GHG emissions for woody biomass-based methanol were approximately 19 gCO 2 e MJ −1 , while emissions from waste-based sources ranged between −154 and 31 gCO 2 e MJ −1 . Methanol from renewable sources showed a GHG reduction potential between 58 and 226% compared to conventional NG-based methanol (122 gCO 2 e MJ −1 ), primarily due to the avoided emissions from conventional waste management. When carbon from process emissions were captured, the reduction could be up to 327%. All pathways exhibited lower NO X , and particulate matter emissions compared to the baseline marine fuel (MGO 0.1% sulfur), while woody biomass and coal pathways had higher SO X emissions.
Alcohol-based fuels are currently considered to be viable energy carriers for the transportation sector. Consequently, a comprehensive mechanistic understanding of the low-temperature oxidation of alcohols is essential for application in advanced low-temperature compression engines. Here, in this work, a multidimensional approach involving experimental investigations, kinetic modeling, and theoretical calculations was used to provide new insights into the low-temperature oxidation mechanism of a C 6 alcohol, n -hexanol (CH 3 (CH 2 ) 5 OH), through the detection and identification of elusive C 6 intermediates. The oxidation of n-hexanol was investigated in a jet-stirred reactor under stoichiometric conditions (ϕ = 1.0), an initial fuel concentration of 2%, a residence time of 2 s, a temperature range between 500 and 660 K, and a pressure of 700 Torr. The reactants, intermediates, and final products were detected and identified by means of molecular-beam mass spectrometry coupled with single-photon ionization employing tunable synchrotron-generated vacuum ultraviolet radiation. Chemical kinetic simulations were performed using a previously published kinetic model (Togbé et al., Energy Fuels 2010, 11, 5859−5875) to predict the reactivity of n-hexanol and elucidate the predominant formation pathways of the observed low-temperature species. Experimental photoionization efficiency curves in conjunction with ab initio calculations, enabled the identification of important low-temperature species, such as C 6 unsaturated alcohols, C 6 olefinic hydroperoxides, C 6 cyclic ethers, C 6 diones, and C 6 ketohydroperoxides. The results of this study provide valuable insight into the mechanism of the low-temperature oxidation chemistry of n -hexanol, contributing to the development of kinetic models for the low-temperature oxidation of n-hexanol and other long-chain linear alcohols.
Knock-limited combustion of alcohol-gasoline fuel blends was studied in a direct-injection spark-ignition engine. Ethanol, isobutanol (2-methyl-1-propanol), and methylbutenol (2-methyl-3-buten-2-ol) were splash-blended with a blendstock for oxygenate blending (BOB) gasoline. Ethanol was blended in fractions of 10%, 20%, and 30% by volume (E10, E20, and E30). Isobutanol and methylbutenol were blended to match the oxygen weight percentage of the ethanol blends, resulting in blends of 16%, 32%, and 49% (I16, I32, and I49) isobutanol by volume and 18%, 37%, and 56% (M18, M37, and M56) methylbutenol by volume. Neat BOB and gasoline primary reference fuels (PRF) with octane numbers (ON) of 87 (PRF87) and 100 (PRF100) were included for reference. The engine was operated at fixed speed, equivalence ratio, and injection timing while knock-limited spark advance was located across a range of intake pressures. Low-level alcohol blends E10 and M18 had similar knocking behavior and appeared to be slightly more knock-resistant than I16. For mid-level blends, E20 showed further improvement over I32 while M37 showed noticeably better knock resistance, able to match the knock-resistance of PRF100 for loads above 1000 kPa gross indicated mean effective pressure (GIMEP). For high-level blends, the difference between E30 and I49 was similar to their mid-level counterparts. However, M56 showed significant improvement over E30 and I49 throughout the entire range of loads tested. M56 exceeded the knock-resistance of PRF100 for loads above 700 kPa GIMEP. The improved knock-resistance combined with the increased volumetric energy density of methylbutenol resulted in improved fuel consumption and indicated efficiency. The overall results of this study indicate that the order of knock-resistance of these three alcohols, for direct-injection operation with injection during the intake stroke, is isobutanol < ethanol < methylbutenol when compared on an equal oxygen weight basis.
This research presents the result of numerically simulating 7-element swirl-venturi Lean Direct Injector (SV-LDI) lean blowout (LBO) experiments conducted at NASA Glenn Research Center in May of 2019. After simulating a cold flow case to confirm the pressure drop agrees well with the experiment, additional cases with two different fuels (an average jet fuel and a Gevo alcohol-to-jet fuel) from the National Jet Fuels Combustion Program (NJFCP) were computed to numerically determine the LBO condition. The procedure to approach the LBO follows the method used in the experiment where the air mass flow rate is gradually increased while the fuel supply is maintained. Transient history of global heat release rate as a function of air flow rate is presented, as well as temperature contours at different conditions to give a visual representation of the flame state. The Open National Combustion Code (OpenNCC) used in this research adopted reduced HyChem (Hybrid Chemistry) models along with k-LES turbulence model and a Lagrangian spray model that takes into account droplet internal temperature distribution affected by the shear force on the droplet surface. The transport equations and chemical reaction terms are integrated together to enhance conservation of chemical species that are especially important in the near LBO conditions. After showing the computed range of LBO agrees well with the experimental measurements, time averaged solutions of both fuels at their initial condition and at their limiting condition just before LBO are compared in detail to facilitate the understanding of LBO mechanism.
Many enzymes utilize interactions extending beyond the primary coordination sphere to enhance catalyst activity and/or selectivity. Such interactions could improve the efficacy of synthetic catalyst systems, but the supramolecular assemblies employed by biology to incorporate second sphere interactions are challenging to replicate in synthetic catalysts. Herein, a strategy is reported for efficiently manipulating outer sphere influence on catalyst reactivity by modulating host–guest interactions between a noncovalently encapsulated transitionmetal-based catalyst guest and a metal–organic framework (MOF) host. This composite consists of a ruthenium PNP pincer complex encapsulated in the MOF UiO-66 that is used in tandem with the zirconium oxide nodes of UiO-66 and a ruthenium PNN pincer complex to hydrogenate carbon dioxide to methanol. Due to the method used to incorporate the complexes in UiO-66, structure–activity relationships could be efficiently determined using a variety of functionalized UiO-66-X hosts. These investigations uncovered the beneficial effects of the ammonium functional group (i.e., UiO-66-NH 3 + ). Mechanistic experiments revealed that the ammonium functionality improved efficiency in the hydrogenation of carbon dioxide to formic acid, the first step in the cascade. Isotope effects and structure–activity relationships suggested that the primary role of the ammonium functionality is to serve as a general Brønsted acid. Importantly, the cooperative influence from the host was effective only with the functional group in close proximity to the encapsulated catalyst. Here, reactions carried out in the presence of molecular sieves to remove water highlighted the beneficial effects of the ammonium functional group in UiO-66-NH 3 + and resulted in a 4-fold increase in activity. As a result of the modular nature of the catalyst system, the highest reported turnover number (TON) (19 000) and turnover frequency (TOF) (9100 h –1 ) for the hydrogenation of carbon dioxide to methanol are obtained. Moreover, the reaction was readily recyclable, leading to a cumulative TON of 100 000 after 10 reaction cycles.
Artificial photosynthesis offers a route to producing clean fuel energy. However, the large thermodynamic requirement for water splitting along with the corresponding sluggish kinetics for the oxygen evolution reaction (OER) limits its current practical application. Here, we offer an alternative approach by replacing the OER with the glycerol oxidation reaction (GOR) for value-added chemicals. By using a Si photoanode, a low GOR onset potential of -0.05 V vs RHE and a photocurrent density of 10 mA/cm 2 at 0.5 V vs RHE can be reached. Coupled with a Si nanowire photocathode for the hydrogen evolution reaction (HER), the integrated system yields a high photocurrent density of 6 mA/cm 2 with no applied bias under 1 sun illumination and can run for over 4 days under diurnal illumination. In conclusion, the demonstration of the GOR-HER integrated system provides a framework for designing bias-free photoelectrochemical devices at appreciable currents and establishes a facile approach to artificial photosynthesis.
Despite of intense research and a wealth of data, the phenomena occurring during electrocatalysis are still a major obstacle in many chemical processes. Molecular analysis of the electrode/electrolyte interface is needed to correctly describe the reaction through identifying the species involved, their interaction with the environment and kinetics in situ, i.e. while the reaction is taking place. That can be done by coupling the electrochemical system with complementary non-electrochemical techniques. Particularly revealing are in situ X-ray spectroscopic techniques to analyze the electrode itself, providing the information on the changes in the catalyst during the reaction. The synergy of the traditional electrochemical techniques with the complementary spectroscopic methodologies offer understanding of the electrode/electrolyte interface above and beyond traditional experimental mainframe. Here we demonstrate how in situ X-ray absorption spectroscopy (XAS), in situ infrared reflection/absorption spectroscopy (IRRAS), and traditional voltammetric studies can increase our understanding of electrochemical processes during oxidation of ethanol. The results show the pronounced role of electrode surface in determining reaction kineticks and revealed the selectivity of the catalyst to complete oxidation pathway. They further provide understanding of the parameters that enhance its oxidation for future designing catalysts for alcohol oxidation fuel cells.
An integrated approach utilizing catalysis experiments, process systems engineering, fuel property modeling, and engine testing was utilized in this project to optimize the production process and composition of a #2 diesel bioblendstock produced from ethanol consisting primarily of long-chain mono-ethers. The primary objective of the project was to determine the composition and to design the production process for a bioblendstock for #2 diesel fuel with > 50% reduction in greenhouse gas emissions relative to conventional diesel fuel. The desired bioblendstock needed to be blendable with #2 diesel fuel at > 5 vol. % while still meeting ASTM D975 diesel fuel specification properties and achieving improvements in fuel properties: increased cetane number, decreased sooting, and reduced pour point and cloud point temperatures. At the same time, it needed to reduce the fuel energy penalty associated with MCCI engine aftertreatment resulting in improved system efficiency. The findings of the current project demonstrate that primary objective of the work has been met, i.e., to determine the composition and to design the production process for a bioblendstock for #2 diesel fuel with > 50% reduction in greenhouse gas emissions relative to conventional diesel fuel. Additionally, the results indicate that the property objectives (increased cetane number, reduced pour and cloud points, and reduced sooting propensity) for the designed bioblendstock composition have also been met. Engine testing performed has also confirmed that the increased reactivity of the bioblendstock can be used to improve catalyst heating operation and to reduce the fuel penalty associated with this operation mode. The fuel property results demonstrate that >5 vol.% blending is easily achieved while meeting the ASTM D975 #2 diesel fuel property specifications tested in this work, as this was achieved for a blend with 43 vol. % of the bioblendstock. The results provide a foundation for future work to scaleup the catalytic production process designed in this work, with many of the challenges and areas for improvement being identified in this work to enable economic production with low GHG lifecycle emissions.
A monodisperse aerosol generator was modified to study ignition requirements, flammability limits, and flame speeds in the transition region. An ignition system was developed and tested. The fabrication of an optical drop sizing system is nearly complete. Preliminary measurements of droplet size effects on the minimum ignition energy for n-heptane sprays performed. Parameteric studies of droplet size effects on minimum ignition energies of various fuels including alcohols are in progress.