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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Drop-in sustainable aviation fuels enabled by feedstock-agnostic lignin deoxygenation

Current sustainable aviation fuels (SAFs) require blending with petroleum-derived fuels due to incomplete hydrocarbon distributions, most notably a lack of aromatics. Lignin, the most abundant renewable source of aromatics, is a promising feedstock for addressing this limitation. Here, we demonstrate a sequential reductive catalytic fractionation and continuous hydrodeoxygenation process that converts multiple woody feedstocks into aromatic hydrocarbons at up to 93% of the theoretical carbon yield. Blending these products with commercial SAFs produces drop-in compatible fuels with elastomer swell performances equivalent to conventional aviation fuels. The process is adaptable across multiple biomass sources, yielding aromatic hydrocarbons with consistent enthalpic efficiencies and fuel properties. These findings establish a scalable route to 100% drop-in SAFs, leveraging lignin-derived aromatics within the existing biofuels infrastructure.

09 BIOMASS FUELS↗
DOE OSTI2020

Electrocatalytic Hydrogenation of Biomass-Derived Organics: A review

Sustainable energy generation calls for a shift away from centralized, high-temperature, energy-intensive processes to decentralized, low-temperature conversions that can be powered by electricity produced from renewable sources. Electrocatalytic conversion of biomass-derived feedstocks would allow carbon recycling of distributed, energy-poor resources in the absence of sinks and sources of high-grade heat. Selective, efficient electrocatalysts that operate at low temperatures are needed for electrocatalytic hydrogenation (ECH) to upgrade the feedstocks. For effective generation of energy-dense chemicals and fuels, two design criteria must be met: (i) a high H:C ratio via ECH to allow for high-quality fuels and blends, and (ii) a lower O:C ratio in the target molecules via electrochemical decarboxylation/deoxygenation to improve the stability of fuels and chemicals. The goal of this review is to determine whether the following questions have been sufficiently answered in open literature, and if not, what additional information is required: (1) What organic functionalities are accessible for electrocatalytic hydrogenation under a set of reaction conditions? How do substitutions and functionalities impact the activity and selectivity of ECH? (2) What material properties cause an electrocatalyst to be active for ECH? Can general trends in ECH be formulated based on the type of electrocatalyst? (3) What is the impact of reaction (electrolyte concentration, pH, operating potential) and reactor type conditions?

Catalysts, redox reactions, hydrocarbons, Aromatic↗
DOE OSTI2024

Thermal diffusion, exhaust gas recirculation and blending effects on lean premixed hydrogen flames

Thermodiffusively-unstable lean premixed hydrogen flames are investigated using two-dimensional direct numerical simulation employing finite-rate chemical kinetics. Three databases are generated focussing on the inclusion of the Soret effect, the recirculation of exhaust gas, and blending with methane. A simple rescaling of a classic thermal diffusion model is presented and shown to mimic multicomponent diffusion with very low computational cost and little-to-no loss in accuracy. It is also shown that a previously developed model for mean local flame speeds in lean premixed hydrogen flames can still be used provided Soret effects are taken into account in one-dimensional calculations. The addition of exhaust gas to the unburned mixture is found to enhance thermodiffusive instability; the primary mechanism for this was shown to be the highly-efficient third-body nature of water, with the reduction of adiabatic flame temperature a second-order effect. Again, the existing mean local flame speed model proved sufficient. Finally, blending with methane was found to reduce the thermodiffusive response of the flame, more so than the existing model suggests, despite adjustment of the fuel Lewis number; an adapted model is presented to account for this.

08 HYDROGEN↗
DOE OSTI2023

Validation of Octane Hyperboosting Phenomenon in Prenol and Structurally Related Olefinic Alcohols

Hyperboosting is a recently discovered phenomenon in which the research octane number (RON) of a blend is higher than both the neat blendstock and the neat fuel it was blended into. RON is a measure of a fuel's resistance to knock, and knock is a cause of engine inefficiency. Blends which exhibit hyperboosting are blends in which an overall improvement in engine efficiency may be expected. The first discovery of hyperboosting came from blending experiments in which prenol was blended into several different base fuels. Here, ignition delay time (IDT) measurements taken using a commercially available constant volume combustion chamber called the Advanced Fuel Ignition Delay Analyzer (AFIDA) are presented. The data show that some prenol blends have longer IDTs (lower reactivity) than either neat prenol or the base fuel, providing further evidence of hyperboosting. Additionally, more blending data is presented in which the base fuel is varied, which allows for a better understanding of hyperboosting sensitivity to chemical classes. The data indicate that aromatics may inhibit, and branched alkanes may enhance the magnitude of hyperboosting observed. Enthalpy of vaporization estimates are also given for several molecules which are blended into a 4-component surrogate. These estimates are derived from Equation of State simulations and reveal that there is no observable correlation between hyperboosting and enthalpy of vaporization. Blending data for molecules which share structural similarities with prenol are also presented. Structure property relationships are suggested, in which the double bond motif of prenol seems to play an important role in hyperboosting. This may help to understand hyperboosting and its underlying mechanism. Lastly, blending curves of surrogate blends with prenol experienced hyperboosting under lean (Homogeneous Charged Compression Ignition-HCCI) operating conditions, which validates that hyperboosting is not an artifact of the octane test methods, but inherent to the properties of prenol.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Solvent-Free Dimerization of Isoprene at Ambient Temperature: A Green Route to Biofuel-Range Hydrocarbons

In order to achieve a net-zero carbon footprint by 2050, the global aviation industry must reduce its dependence on fossil fuels. In this regard, there is a global challenge to produce sufficient sustainable aviation fuel (SAF) from renewable sources. Isoprene is an intermediate molecule that can be derived from multiple biomass-based or biosynthetic routes. Here, in this work, we report a green route for the catalytic conversion of isoprene to hydrocarbons that are suitable for aviation fuel. By using an Amberlyst-15 catalyst without metal loading at ambient temperature (19–23 °C), as well as 40 °C, 50 °C, and 60 °C, isoprene was converted into olefinic precursors for SAF and/or blending with conventional aviation fuels. Specifically, at ambient temperature, the process achieved approximately 70 wt % conversion of isoprene with over 50 mol % carbon selectivity toward the aviation fuel range. The resulting SAF-range hydrocarbons were composed of iso-alkenes, branched olefinic monocyclic compounds, and bicyclic compounds, covering a wide range of aviation fuel components. Our work demonstrates, for the first time, the formation of diverse hydrocarbon families for SAF and/or aviation fuel blending at ambient temperature from isoprene.

09 BIOMASS FUELS↗
DOE OSTI2021

Multitude Characterization and Prediction of DOE Advanced Biofuels Properties

Advanced multitude of experiments ranging from the liquid fuel to combustion are conducted on Co-OPTIMA fuels to aid the characterization of the fuels. The series of targeted experiments characterized Co-OPTIMA fuel spray atomization, flame topology, flame speed, autoignition, volatility, viscosity, soot/coking, and compatibility. The fuels are selected and prioritized based on input from national lab members. The research characterized and predicted biomass-based, low greenhouse gas fuels and blends combustion, autoignition, and physical properties of mixtures of identified compounds at engine-relevant conditions, in particular those properties that blend non-linearly. The main challenge of Co-OPTIMA is the evaluation of a variety of biofuels and blends in all the reaction conditions that might be encountered in new high-efficiency engines. Despite the improved high-throughput experimental techniques, it seems unlikely that all of the performance metrics could be measured for all relevant petroleum derived, bio-derived molecules and mixtures, and reaction conditions. A series of targeted experiments ranging from the liquid fuel to the combustion process is required, and to extract the maximum information from each experiment. These targeted experiments evaluated how a specific fuel will perform in an engine. The series of targeted experiments are as follows: (a) Spray Atomization, Vaporization and Droplet Formation (b) Combustion Flame and Local Fuel/Air Image-Based Measurements (c) Laminar Flame Speed Measurements (d) Autoignition and Soot Measurements (e) Synchrotron Coupled Fundamental Autoignition Experiments (f) Fuel Coking and Hot Surface Deposit g) Fuel Volatility Measurements (h) Viscosity Measurements (i) Seal Flexible Fuel Compatibility These experimental processes provide an essential pathway for the prediction of fuel behaviors in engines and systematic process for fuel down select.

09 BIOMASS FUELS↗
DOE OSTI2025

Measurement of Spray Chamber Ignition Delay and Cetane Numbers for Aviation Turbine Fuels

Experiments using pure compounds, National Jet Fuels Combustion Program (NJFCP) test fuels, and commercial jet fuels were conducted to demonstrate the equivalence of the indicated cetane number (ICN) and derived cetane number (DCN) for jet fuels. The calibrated range for ICN was also extended to lower cetane number (CN) values (5 to 35) to allow CN quantification for jet fuel synthetic blending components (SBCs) with low CN. ICN and DCN were shown to be highly correlated for values above about 30. This study presents the most comprehensive comparison of these two methods published to date. Because of the importance of low-volume test methods for early-stage SBC production process development, we demonstrated that ICN and DCN can be accurately measured with 15 mL of fuel, well below 40 to 100 mL required by standard methods. ICN or DCN is important for jet fuels because fuels with lower CN are more prone to lean blowout (LBO), an undesirable operational failure in a jet engine. Comparing data on a fuel-to-air ratio (Φ) at LBO for the NJFCP fuels shows similar linear correlations for ICN and DCN. Ignition delay measurements at lower-pressure and higher-temperature conditions may be more directly relevant to LBO. At 675 °C, 0.5 MPa, and a global Φ of roughly 0.68, ignition delay time correlations to LBO were similar to those produced from DCN and ICN. A much weaker correlation was obtained with a global Φ value of 0.34.

09 BIOMASS FUELS↗
DOE OSTI2021

Spray and combustion characteristics of butanol-diesel and hexanol-diesel blends under high-altitude conditions

Due to their excellent fuel properties, butanol and hexanol are considered as two promising renewable fuels for diesel engine applications. The objective of this work is to investigate and compare the spray and combustion characteristics of butanol-diesel and hexanol-diesel blends under high-altitude conditions. A constant volume combustion chamber was used to provide the desired environment. Experiments were conducted under various ambient temperatures ranging from 800 K to 1200 K and various ambient densities ranging from 11 kg/m3 to 15 kg/m3. Fuel blends with 20% blend ratio (B20 and H20) and neat diesel were used as test fuels. The spray and combustion characteristics of the test fuels were analyzed using measured liquid penetration length, ignition delay, combustion duration, flame lift-off length (FLoL), and spatially integrated natural luminosity (SINL). Here the results revealed that B20 and H20 had shorter liquid penetration length than diesel under low ambient temperature and density conditions due to their higher volatility. The blended fuels showed significantly longer ignition delay than diesel under low ambient temperature conditions, but it could be overcome by increasing the ambient temperature. Adding butanol and hexanol into diesel both extended FLoL especially under low ambient temperature and density conditions, but the effects of hexanol was less dramatic compared to butanol due to its lower latent heat of vaporization and higher chemical reactivity. Both B20 and H20 showed lower SINL than diesel under any conditions, indicating their ability of reducing soot emissions. However, no apparent differences could be found between these two fuels until the ambient temperature dropped to 800 K.

42 ENGINEERING↗
DOE OSTI2021

Impacts of Biofuel Blending on MCCI Ignition Delay with Review of Methods for Defining Cycle-by-Cycle Ignition Points from Noisy Cylinder Pressure Data

Conventional diesel combustion, also known as Mixing-Controlled Compression Ignition (MCCI), is expected to be the primary power source for medium- and heavy-duty vehicles for decades to come. Displacing petroleum-based ultra-low-sulfur diesel (ULSD) as much as possible with low-net-carbon biofuels will become necessary to help mitigate effects on climate change. Neat biofuels may have difficulty meeting current diesel fuel standards but blends of 30% biofuel in ULSD show potential as ‘drop-in’ fuels. These blends must not make significant changes to the combustion phasing of the MCCI process if they are to be used interchangeably with neat ULSD. An important aspect of MCCI phasing is the ignition delay (ID), i.e. the time between the start of fuel injection and the initial premixed autoignition that initiates the MCCI process. Bench experiments can evaluate the expected ignition delay of a fuel via cetane number (CN) or alternative methods such as the indicated cetane number (ICN); however, neither CN nor ICN correlate perfectly with the ignition delay measured in actual engine experiments. Furthermore, there is no standardized methodology on how to quantify MCCI ignition delay from engine cylinder pressure measurements, creating difficulties in cross-study comparison. In this study, several engine ignition delay calculation methods are evaluated for robustness in deriving ignition delay on both a cycle-averaged and cycle-to-cycle basis. Eight biofuel blends with varying ICN, oxygen concentration and other fuel properties were used to study the different methods. This yields a thorough analysis of how certain biofuel blends affect ignition delay and the entire MCCI process, as well as a thorough evaluation of the differences between the ID calculation methods. Many of these methods are equally valid, but the choice of method has a significant impact on the resulting ID, which must be carefully considered when evaluating results across multiple studies.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Impacts of Biofuel Blending on MCCI Ignition Delay with Review of Methods for Defining Cycle-by-Cycle Ignition Points from Noisy Cylinder Pressure Data: Preprint

Conventional diesel combustion, also known as Mixing-Controlled Compression Ignition (MCCI), is expected to be the primary power source for medium- and heavy-duty vehicles for decades to come. Displacing petroleum-based ultra-low-sulfur diesel (ULSD) as much as possible with low-net-carbon biofuels will become necessary to help mitigate effects on climate change. Neat biofuels may have difficulty meeting current diesel fuel standards but blends of 30% biofuel in ULSD show potential as ‘drop-in’ fuels. These blends must not make significant changes to the combustion phasing of the MCCI process if they are to be used interchangeably with neat ULSD. An important aspect of MCCI phasing is the ignition delay (ID), i.e. the time between the start of fuel injection and the initial premixed autoignition that initiates the MCCI process. Bench experiments can evaluate the expected ignition delay of a fuel via cetane number (CN) or alternative methods such as the indicated cetane number (ICN); however, neither CN nor ICN correlate perfectly with the ignition delay measured in actual engine experiments. Furthermore, there is no standardized methodology on how to quantify MCCI ignition delay from engine cylinder pressure measurements, creating difficulties in cross-study comparison. In this study, several engine ignition delay calculation methods are evaluated for robustness in deriving ignition delay on both a cycle-averaged and cycle-to-cycle basis. Eight biofuel blends with varying ICN, oxygen concentration and other fuel properties were used to study the different methods. This yields a thorough analysis of how certain biofuel blends affect ignition delay and the entire MCCI process, as well as a thorough evaluation of the differences between the ID calculation methods. Many of these methods are equally valid, but the choice of method has a significant impact on the resulting ID, which must be carefully considered when evaluating results across multiple studies.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Analyzing the Economic and Technical Potential of H2@Scale

H2@Scale is one of EERE's flagship initiatives to enable clean and affordable hydrogen production, storage, distribution, and utilization across multiple sectors in the economy. The January H2IQ hour will discuss results from a recent multi-laboratory analysis report quantifying the technical and economic potential of H2@Scale, given the use of hydrogen as an energy intermediate to integrate sectors in the U.S. energy system. Mark Ruth of the National Renewable Energy Laboratory, the lead author of the report, will discuss specific examples of the role hydrogen can play in industry and transportation sectors, such as steelmaking, synthetic fuels, and blending into natural gas pipelines. He will also explain how hydrogen production can be integrated with the electric grid to monetize low-cost energy and incentivize growth in renewable energy supply. The H2IQ Hour will dive into estimates for future hydrogen consumption in current and emerging sectors, given R&D advances and varying prices of natural gas and electricity.

39 EE - Hydrogen and Fuel Cell Technologies (EE-3F↗
DOE OSTI2022

Assessment of SCALE and MELCOR for a generic pebble bed fluoride high-temperature reactor

This paper presents the development and application of SCALE and MELCOR models for a fluoride salt-cooled high-temperature reactor (FHR) based on publicly available specifications. SCALE version 6.3beta15 was used to generate power distributions and decay heat curves, and MELCOR version 2.2.18019 was used to calculate the thermal hydraulic response of an assumed FHR primary system. Here, an approach was developed for determining the equilibrium state of the core using depletion of a core slice model and blending of fuel compositions at different burnups to provide three-dimensional fuel composition in the core. Results compared between a core with entirely fresh fuel and one with an equilibrium fuel composition revealed that the equilibrium core led to lower steady-state temperatures but slower cooldown during a loss of flow accident (LOFA). A sensitivity study was then conducted to explore the transient response of our FHR system to variations in thermal hydraulic parameters of the system using the equilibrium core. The inlet temperature, graphite thermal conductivity, and SCRAM time all provided significant control over peak fuel and coolant temperatures. Uncertainties in radionuclide decay data in SCALE were used to perform a decay heat sensitivity study, and we found that uncertainties in decay heat led to negligible impact on peak temperatures during the course of the transient. In all cases evaluated, the observed peak fuel temperatures remained approximately 700 K below anticipated failure limits for the LOFA.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Droplet burning of n-butyl acetate/n-heptane mixtures in the standard atmosphere: experiments and numerical modeling

Blending petroleum fuels with oxygenates is a common approach to stem the depletion of crude oil while also mitigating the impact of their combustion on the environment. It has recently been considered that n-butyl acetate (BA, C6H12O2 , boiling point of 399K) could be a viable oxygenate additive to diesel fuel. In this application it is important to determine the influence of the fractional amount of BA on burning of the mixture. This presentation considers this problem from an experimental and computational approach using n-heptane (C7H14 , boiling point of 372K) as an essentially single component surrogate for diesel fuel. The burning configuration considered was ostensibly spherical symmetry as promoted by burning droplets under conditions where forced and natural convection effects were minimized. In this configuration the droplet and flame are concentric spheres and soot aggregates are trapped in a shell structure between the droplet and flame. Measurements were made of the droplet, flame and soot shell diameters through video imaging of the burning process. The experimental results were used to validate a detailed numerical model of the spherically symmetric droplet burning process that incorporated a consistent combustion kinetic mechanism for BA/heptane mixtures, comprised of 402 species and 16,872 reactions inclusive of soot chemistry. A model for soot formation was also included in the simulation to predict formation of the soot shell. The simulations agreed well with measured droplet and flame diameters. It was found both experimentally and computationally that adding BA to heptane had a minimal effect on the mixture burning rate, while the flame was positioned closer to the droplet surface and the simulated soot volume fraction decreased. The implications of these results are discussed for using BA as a potential additive to diesel fuel.

09 BIOMASS FUELS↗
DOE OSTI2021

Combustion studies of n-butyl acetate synthesized by a new biological process and comparisons with neat n-butyl acetate

Blending petroleum fuels with biofuels is a common approach for stemming the depletion of crude oil while also mitigating the impact of their combustion on the environment. It has recently been considered that n-butyl acetate (BA, C6H12O2, boiling point of 399K) could be a viable biofuel additive to diesel fuel. This paper reports the combustion dynamics of BA droplets in the absence of external convection. Two grades of BA were examined: one synthesized by a new process that uses a solventogenic Clostridium strain through an extractive fermentation process using n-hexadecane as the extractant (SBA); the other commercially available as a high-purity (99.9%) 'neat' BA grade produced by Fischer esterification (NBA). The mass concentration of by-products from the synthesis process amounted to approximately 6% of the total composition and included n-butanol, n-hexadecane, iso-propyl alcohol and ethyl acetate. The platform used to study the combustion of commercial and synthesized BA was an isolated droplet burning with spherical symmetry. Initial droplet diameters were fixed at 0.6 mm. Experiments were carried out in a drop tower to promote one-dimensional transport dynamics, in the standard atmosphere, and with ignition accomplished by spark discharge. Differences in droplet burning rates and flame structures were undetectable between NBA and SBA, despite the differences in burning among the SBA components individually. The results presented show that the new synthesis process for butyl acetate yields a sustainable alternative to conventional methodologies with burning characteristics that are identical to NBA in stagnant gas transport fields.

Wang, Yujie↗
DOE OSTI2025

Development of a Flex-Fuel Mixing Controlled Combustion System for Gasoline/Ethanol Blends Enabled by Prechamber Ignition

This project demonstrated a heavy-duty engine converted from using diesel fuel to a flex-fuel engine that can use any blend of gasoline and ethanol. The combustion system is an innovative concept that allows very low cetane fuels to be used in a conventional mixing-controlled combustion (MCC) strategy without auxiliary heating, changes to the basic engine structure, or advanced controls.

09 BIOMASS FUELS↗
DOE OSTI2021

Reburning of Animal Waste Based Biomass with Coals for NO x Reduction, Part II: Dairy Biomass (DB) and Coal–DB Blends

Concentrated animal feeding operations (both slaughter and dairy cattle) lead to land, water, and air pollution if waste storage and handling systems are not effectively managed. At the same time, cattle biomass (CB), which includes both slaughter/feedlot biomass (FB) and dairy biomass (DB), have the potential to be a source of green energy at coal-fired power plants. Part I presented results on NOx reductions with pure FB or Coal: FB blends as reburn fuels. Part II deals with results from reburning with pure DB or Coal: DB blends as reburn fuels. A mixture of NG with a small amount of NH3 was used to generate the baseline NOx of 400–420 ppm (or 185–194 g/GJ). NOx emissions were found to be reduced by as much as 96% when reburning with FB. The effects of reburn fuel type, equivalence ratio (ER RBZ ) in the reburn zone, vitiated air, several injection configurations of reburn fuel and initial NO concentrations on NOx emissions were investigated. The ER RBZ shows a significant effect on the NOx reduction. The 20% heat input by reburning was the better operating condition for the long-term operation due to its ash production. The results reveal that reburn with DB fuels is an effective technology for NOx emission control when the initial NOx emission is higher than 275 ppm (or 127 g/GJ or 0.3 lb/MMBtu).

09 BIOMASS FUELS↗
DOE OSTI2020

Conversion of poplar biomass into high-energy density tricyclic sesquiterpene jet fuel blendstocks

In an effort to ensure future energy security, reduce greenhouse gas emissions and create domestic jobs, the US has invested in technologies to develop sustainable biofuels and bioproducts from renewable carbon sources such as lignocellulosic biomass. Bio-derived jet fuel is of particular interest as aviation is less amenable to electrification compared to other modes of transportation and synthetic biology provides the ability to tailor fuel properties to enhance performance. Specific energy and energy density are important properties in determining the attractiveness of potential bio-derived jet fuels. For example, increased energy content can give the industry options such as longer range, higher load or reduced takeoff weight. Energy-dense sesquiterpenes have been identified as potential next-generation jet fuels that can be renewably produced from lignocellulosic biomass. We developed a biomass deconstruction and conversion process that enabled the production of two tricyclic sesquiterpenes, epi-isozizaene and prespatane, from the woody biomass poplar using the versatile basidiomycete Rhodosporidium toruloides. We demonstrated terpene production at both bench and bioreactor scales, with prespatane titers reaching 1173.6 mg/L when grown in poplar hydrolysate in a 2 L bioreactor. Additionally, we examined the theoretical fuel properties of prespatane and epi-isozizaene in their hydrogenated states as blending options for jet fuel, and compared them to aviation fuel, Jet A. Our findings indicate that prespatane and epi-isozizaene in their hydrogenated states would be attractive blending options in Jet A or other lower density renewable jet fuels as they would improve viscosity and increase their energy density. Saturated epi-isozizaene and saturated prespatane have energy densities that are 16.6 and 18.8% higher than Jet A, respectively. These results highlight the potential of R. toruloides as a production host for the sustainable and scalable production of bio-derived jet fuel blends, and this is the first report of prespatane as an alternative jet fuel.

09 BIOMASS FUELS↗